A1AAX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O63 | C62 | doub | 1.21Å | 1.25Å | |
O64 | C62 | sing | 1.34Å | 1.26Å | |
C62 | C61 | sing | 1.51Å | 1.60Å | |
O59 | C57 | doub | 1.21Å | 1.25Å | |
O58 | C57 | sing | 1.34Å | 1.26Å | |
C61 | C60 | sing | 1.53Å | 1.52Å | |
C57 | C56 | sing | 1.51Å | 1.57Å | |
C60 | P49 | sing | 1.87Å | 1.91Å | |
N47 | C46 | sing | 1.35Å | 1.39Å | |
O48 | C46 | doub | 1.22Å | 1.24Å | |
C56 | C55 | sing | 1.53Å | 1.51Å | |
O53 | C52 | doub | 1.21Å | 1.26Å | |
C46 | C44 | sing | 1.41Å | 1.56Å | |
P49 | C55 | sing | 1.87Å | 1.89Å | |
P49 | C50 | sing | 1.87Å | 1.92Å | |
P49 | C43 | sing | 1.87Å | 2.03Å | |
C50 | C51 | sing | 1.53Å | 1.52Å | |
C52 | O54 | sing | 1.34Å | 1.25Å | |
C52 | C51 | sing | 1.51Å | 1.57Å | |
C44 | C43 | sing | 1.50Å | 1.51Å | |
C44 | C45 | doub | 1.35Å | 1.39Å | |
C43 | C42 | sing | 1.50Å | 1.48Å | |
C45 | N40 | sing | 1.37Å | 1.41Å | |
C42 | C41 | doub | 1.31Å | 1.38Å | |
N40 | C41 | sing | 1.39Å | 1.40Å | |
N40 | C35 | sing | 1.46Å | 1.61Å | |
O37 | C36 | sing | 1.43Å | 1.39Å | |
C35 | C36 | sing | 1.55Å | 1.58Å | |
C35 | O34 | sing | 1.44Å | 1.37Å | |
C36 | C38 | sing | 1.55Å | 1.57Å | |
O34 | C01 | sing | 1.44Å | 1.43Å | |
O39 | C38 | sing | 1.43Å | 1.40Å | |
C38 | C01 | sing | 1.54Å | 1.53Å | |
C01 | C02 | sing | 1.53Å | 1.55Å | |
O03 | C02 | sing | 1.43Å | 1.35Å | |
O03 | P04 | sing | 1.61Å | 1.82Å | |
O06 | P04 | doub | 1.48Å | 1.49Å | |
O10 | P08 | doub | 1.48Å | 1.50Å | |
P04 | O07 | sing | 1.61Å | 1.58Å | |
P04 | O05 | sing | 1.61Å | 1.50Å | |
N25 | C24 | sing | 1.38Å | 1.40Å | |
O07 | P08 | sing | 1.61Å | 1.69Å | |
N18 | C19 | sing | 1.36Å | 1.41Å | Aromatic |
N18 | C17 | doub | 1.30Å | 1.36Å | Aromatic |
P08 | O09 | sing | 1.61Å | 1.49Å | |
P08 | O11 | sing | 1.61Å | 1.72Å | |
C24 | C19 | doub | 1.40Å | 1.43Å | Aromatic |
C24 | N23 | sing | 1.33Å | 1.37Å | Aromatic |
C19 | C20 | sing | 1.41Å | 1.45Å | Aromatic |
C17 | N16 | sing | 1.36Å | 1.40Å | Aromatic |
O11 | C12 | sing | 1.43Å | 1.39Å | |
N23 | C22 | doub | 1.32Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.53Å | 1.56Å | |
N16 | C20 | sing | 1.37Å | 1.41Å | Aromatic |
N16 | C15 | sing | 1.47Å | 1.56Å | |
C20 | N21 | doub | 1.33Å | 1.38Å | Aromatic |
C22 | N21 | sing | 1.32Å | 1.34Å | Aromatic |
O14 | C13 | sing | 1.44Å | 1.47Å | |
O14 | C15 | sing | 1.44Å | 1.41Å | |
C13 | C32 | sing | 1.54Å | 1.53Å | |
C15 | C26 | sing | 1.55Å | 1.54Å | |
C32 | C26 | sing | 1.55Å | 1.57Å | |
C32 | O33 | sing | 1.43Å | 1.40Å | |
C26 | O27 | sing | 1.43Å | 1.34Å | |
O27 | P28 | sing | 1.61Å | 1.84Å | |
O29 | P28 | doub | 1.48Å | 1.51Å | |
O30 | P28 | sing | 1.61Å | 1.51Å | |
P28 | O31 | sing | 1.61Å | 1.51Å | |
C15 | H1 | sing | 1.09Å | 1.10Å | |
C22 | H2 | sing | 1.08Å | 1.08Å | |
C26 | H3 | sing | 1.09Å | 1.10Å | |
C12 | H4 | sing | 1.09Å | 1.10Å | |
C12 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C02 | H7 | sing | 1.09Å | 1.10Å | |
C02 | H8 | sing | 1.09Å | 1.10Å | |
C13 | H9 | sing | 1.09Å | 1.10Å | |
C17 | H10 | sing | 1.08Å | 1.08Å | |
C32 | H11 | sing | 1.09Å | 1.10Å | |
C35 | H12 | sing | 1.09Å | 1.10Å | |
C36 | H13 | sing | 1.09Å | 1.10Å | |
C38 | H14 | sing | 1.09Å | 1.10Å | |
C41 | H15 | sing | 1.08Å | 1.08Å | |
C42 | H17 | sing | 1.08Å | 1.08Å | |
C43 | H19 | sing | 1.09Å | 1.10Å | |
C45 | H20 | sing | 1.08Å | 1.08Å | |
C50 | H21 | sing | 1.09Å | 1.10Å | |
C50 | H22 | sing | 1.09Å | 1.10Å | |
C51 | H23 | sing | 1.09Å | 1.10Å | |
C51 | H24 | sing | 1.09Å | 1.10Å | |
C55 | H25 | sing | 1.09Å | 1.10Å | |
C55 | H26 | sing | 1.09Å | 1.10Å | |
C56 | H27 | sing | 1.09Å | 1.10Å | |
C56 | H28 | sing | 1.09Å | 1.10Å | |
C60 | H29 | sing | 1.09Å | 1.10Å | |
C61 | H30 | sing | 1.09Å | 1.10Å | |
N25 | H31 | sing | 0.97Å | 1.00Å | |
N25 | H32 | sing | 0.97Å | 1.00Å | |
N47 | H33 | sing | 0.97Å | 1.00Å | |
N47 | H34 | sing | 0.97Å | 1.00Å | |
O05 | H35 | sing | 0.97Å | 0.95Å | |
O09 | H36 | sing | 0.97Å | 0.95Å | |
O30 | H37 | sing | 0.97Å | 0.95Å | |
O31 | H38 | sing | 0.97Å | 0.95Å | |
O33 | H39 | sing | 0.97Å | 0.95Å | |
O37 | H40 | sing | 0.97Å | 0.95Å | |
O39 | H41 | sing | 0.97Å | 0.95Å | |
O54 | H42 | sing | 0.97Å | 0.95Å | |
O58 | H43 | sing | 0.97Å | 0.95Å | |
O64 | H44 | sing | 0.97Å | 0.95Å | |
C60 | H16 | sing | 1.09Å | 1.10Å | |
C61 | H18 | sing | 1.09Å | 1.10Å | |
P49 | H45 | sing | 1.47Å | 35.51Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O63 | C62 | O64 | 123.6° | 120.0° |
O63 | C62 | C61 | 117.6° | 120.0° |
O64 | C62 | C61 | 118.8° | 120.0° |
C62 | O64 | H44 | 109.5° | 117.0° |
C62 | C61 | C60 | 115.8° | 109.5° |
C62 | C61 | H30 | 107.9° | 109.5° |
C62 | C61 | H18 | 107.8° | 109.5° |
O59 | C57 | O58 | 123.6° | 120.0° |
O59 | C57 | C56 | 118.2° | 120.0° |
O58 | C57 | C56 | 118.2° | 120.0° |
C57 | O58 | H43 | 109.5° | 117.0° |
C61 | C60 | P49 | 115.9° | 109.5° |
C61 | C60 | H29 | 107.8° | 109.5° |
C60 | C61 | H30 | 107.8° | 109.4° |
C61 | C60 | H16 | 107.8° | 109.4° |
C60 | C61 | H18 | 107.9° | 109.5° |
C57 | C56 | C55 | 116.5° | 109.5° |
C57 | C56 | H27 | 107.7° | 109.5° |
C57 | C56 | H28 | 107.7° | 109.5° |
C60 | P49 | C55 | 111.6° | 90.0° |
C60 | P49 | C50 | 107.1° | 120.0° |
C60 | P49 | C43 | 108.0° | 120.0° |
P49 | C60 | H29 | 107.8° | 109.5° |
P49 | C60 | H16 | 107.8° | 109.4° |
C60 | P49 | H45 | 100.1° | 90.0° |
N47 | C46 | O48 | 115.2° | 120.0° |
N47 | C46 | C44 | 125.0° | 120.0° |
C46 | N47 | H33 | 120.0° | 120.0° |
C46 | N47 | H34 | 120.0° | 120.0° |
O48 | C46 | C44 | 119.9° | 120.0° |
C56 | C55 | P49 | 115.9° | 109.5° |
C56 | C55 | H25 | 107.9° | 109.5° |
C56 | C55 | H26 | 107.8° | 109.5° |
C55 | C56 | H27 | 107.7° | 109.4° |
C55 | C56 | H28 | 107.7° | 109.5° |
O53 | C52 | O54 | 123.1° | 120.0° |
O53 | C52 | C51 | 117.7° | 120.0° |
C46 | C44 | C43 | 121.3° | 119.3° |
C46 | C44 | C45 | 120.2° | 119.3° |
C55 | P49 | C50 | 108.3° | 90.1° |
C55 | P49 | C43 | 105.7° | 90.0° |
P49 | C55 | H25 | 107.8° | 109.4° |
P49 | C55 | H26 | 107.9° | 109.5° |
C55 | P49 | H45 | 129.2° | 180.0° |
C50 | P49 | C43 | 116.4° | 120.0° |
P49 | C50 | C51 | 115.2° | 109.5° |
P49 | C50 | H21 | 108.0° | 109.4° |
P49 | C50 | H22 | 108.0° | 109.5° |
C50 | P49 | H45 | 21.7° | 90.0° |
P49 | C43 | C44 | 115.4° | 109.1° |
P49 | C43 | C42 | 105.9° | 109.2° |
P49 | C43 | H19 | 105.2° | 109.2° |
C43 | P49 | H45 | 100.6° | 90.0° |
C50 | C51 | C52 | 117.4° | 109.5° |
C51 | C50 | H21 | 108.0° | 109.5° |
C51 | C50 | H22 | 108.0° | 109.5° |
C50 | C51 | H23 | 107.5° | 109.5° |
C50 | C51 | H24 | 107.5° | 109.5° |
O54 | C52 | C51 | 119.2° | 120.0° |
C52 | O54 | H42 | 109.5° | 117.0° |
C52 | C51 | H23 | 107.5° | 109.5° |
C52 | C51 | H24 | 107.4° | 109.4° |
C43 | C44 | C45 | 117.3° | 121.3° |
C44 | C43 | C42 | 108.5° | 110.9° |
C44 | C43 | H19 | 110.6° | 109.2° |
C44 | C45 | N40 | 126.1° | 120.4° |
C44 | C45 | H20 | 116.9° | 119.8° |
C43 | C42 | C41 | 121.6° | 121.8° |
C43 | C42 | H17 | 119.2° | 119.2° |
C42 | C43 | H19 | 111.1° | 109.1° |
C45 | N40 | C41 | 115.1° | 120.0° |
C45 | N40 | C35 | 124.1° | 120.0° |
N40 | C45 | H20 | 116.9° | 119.8° |
C42 | C41 | N40 | 120.4° | 120.9° |
C42 | C41 | H15 | 119.8° | 119.5° |
C41 | C42 | H17 | 119.2° | 119.1° |
C41 | N40 | C35 | 120.7° | 120.1° |
N40 | C41 | H15 | 119.8° | 119.5° |
N40 | C35 | C36 | 116.3° | 110.4° |
N40 | C35 | O34 | 107.7° | 110.4° |
N40 | C35 | H12 | 108.6° | 110.4° |
O37 | C36 | C35 | 109.7° | 110.5° |
O37 | C36 | C38 | 110.8° | 110.5° |
O37 | C36 | H13 | 112.6° | 110.5° |
C36 | O37 | H40 | 109.5° | 114.0° |
C36 | C35 | O34 | 103.2° | 104.8° |
C35 | C36 | C38 | 103.8° | 104.1° |
C36 | C35 | H12 | 109.0° | 110.4° |
C35 | C36 | H13 | 109.7° | 110.5° |
C35 | O34 | C01 | 114.0° | 105.3° |
O34 | C35 | H12 | 112.0° | 110.3° |
C36 | C38 | O39 | 112.0° | 110.5° |
C36 | C38 | C01 | 100.8° | 104.0° |
C38 | C36 | H13 | 109.9° | 110.5° |
C36 | C38 | H14 | 109.8° | 110.5° |
O34 | C01 | C38 | 108.4° | 104.9° |
O34 | C01 | C02 | 110.6° | 110.4° |
O34 | C01 | H6 | 110.4° | 110.3° |
O39 | C38 | C01 | 111.2° | 110.5° |
O39 | C38 | H14 | 112.2° | 110.6° |
C38 | O39 | H41 | 109.5° | 114.0° |
C38 | C01 | C02 | 109.6° | 110.4° |
C38 | C01 | H6 | 109.0° | 110.4° |
C01 | C38 | H14 | 110.3° | 110.4° |
C01 | C02 | O03 | 109.3° | 109.5° |
C02 | C01 | H6 | 108.7° | 110.3° |
C01 | C02 | H7 | 109.5° | 109.5° |
C01 | C02 | H8 | 109.5° | 109.4° |
C02 | O03 | P04 | 122.7° | 123.0° |
O03 | C02 | H7 | 109.5° | 109.5° |
O03 | C02 | H8 | 109.5° | 109.5° |
O03 | P04 | O06 | 97.3° | 109.5° |
O03 | P04 | O07 | 107.0° | 109.5° |
O03 | P04 | O05 | 101.9° | 109.5° |
O06 | P04 | O07 | 118.8° | 109.5° |
O06 | P04 | O05 | 120.9° | 109.5° |
O10 | P08 | O07 | 113.3° | 109.5° |
O10 | P08 | O09 | 116.9° | 109.5° |
O10 | P08 | O11 | 110.1° | 109.5° |
O07 | P04 | O05 | 107.8° | 109.5° |
P04 | O07 | P08 | 134.7° | 134.0° |
P04 | O05 | H35 | 109.5° | 114.0° |
N25 | C24 | C19 | 124.9° | 120.8° |
N25 | C24 | N23 | 116.0° | 120.8° |
C24 | N25 | H31 | 109.5° | 120.0° |
C24 | N25 | H32 | 109.5° | 120.1° |
O07 | P08 | O09 | 104.5° | 109.5° |
O07 | P08 | O11 | 104.7° | 109.4° |
C19 | N18 | C17 | 104.9° | 109.4° |
N18 | C19 | C24 | 132.2° | 134.6° |
N18 | C19 | C20 | 108.9° | 107.1° |
N18 | C17 | N16 | 114.4° | 110.0° |
N18 | C17 | H10 | 122.8° | 125.0° |
O09 | P08 | O11 | 106.5° | 109.5° |
P08 | O09 | H36 | 109.5° | 114.0° |
P08 | O11 | C12 | 122.0° | 123.0° |
C19 | C24 | N23 | 119.2° | 118.4° |
C24 | C19 | C20 | 118.9° | 118.2° |
C24 | N23 | C22 | 116.8° | 121.2° |
C19 | C20 | N16 | 107.2° | 106.0° |
C19 | C20 | N21 | 121.3° | 119.1° |
C17 | N16 | C20 | 104.6° | 107.5° |
C17 | N16 | C15 | 125.7° | 126.3° |
N16 | C17 | H10 | 122.8° | 125.0° |
O11 | C12 | C13 | 112.8° | 109.4° |
O11 | C12 | H4 | 108.7° | 109.4° |
O11 | C12 | H5 | 108.7° | 109.5° |
N23 | C22 | N21 | 129.4° | 122.5° |
N23 | C22 | H2 | 115.3° | 118.8° |
C12 | C13 | O14 | 114.4° | 109.9° |
C12 | C13 | C32 | 109.1° | 109.9° |
C13 | C12 | H4 | 108.6° | 109.5° |
C13 | C12 | H5 | 108.6° | 109.5° |
C12 | C13 | H9 | 109.4° | 109.9° |
C20 | N16 | C15 | 129.7° | 126.3° |
N16 | C20 | N21 | 131.5° | 134.9° |
N16 | C15 | O14 | 112.7° | 110.8° |
N16 | C15 | C26 | 110.8° | 110.6° |
N16 | C15 | H1 | 107.9° | 110.6° |
C20 | N21 | C22 | 114.4° | 120.6° |
N21 | C22 | H2 | 115.3° | 118.8° |
C13 | O14 | C15 | 109.1° | 107.0° |
O14 | C13 | C32 | 103.4° | 107.3° |
O14 | C13 | H9 | 110.6° | 110.0° |
O14 | C15 | C26 | 107.2° | 103.5° |
O14 | C15 | H1 | 109.9° | 110.6° |
C13 | C32 | C26 | 102.3° | 104.2° |
C13 | C32 | O33 | 105.3° | 110.5° |
C32 | C13 | H9 | 109.8° | 109.9° |
C13 | C32 | H11 | 110.8° | 110.5° |
C15 | C26 | C32 | 95.6° | 102.1° |
C15 | C26 | O27 | 109.6° | 110.9° |
C26 | C15 | H1 | 108.2° | 110.6° |
C15 | C26 | H3 | 111.2° | 110.9° |
C26 | C32 | O33 | 114.8° | 110.5° |
C32 | C26 | O27 | 113.7° | 110.9° |
C32 | C26 | H3 | 110.7° | 110.9° |
C26 | C32 | H11 | 110.3° | 110.5° |
O33 | C32 | H11 | 112.7° | 110.6° |
C32 | O33 | H39 | 109.5° | 114.0° |
C26 | O27 | P28 | 119.5° | 123.0° |
O27 | C26 | H3 | 114.5° | 110.8° |
O27 | P28 | O29 | 97.9° | 109.5° |
O27 | P28 | O30 | 101.0° | 109.5° |
O27 | P28 | O31 | 103.4° | 109.5° |
O29 | P28 | O30 | 117.4° | 109.5° |
O29 | P28 | O31 | 115.0° | 109.5° |
O30 | P28 | O31 | 117.3° | 109.4° |
P28 | O30 | H37 | 109.5° | 114.0° |
P28 | O31 | H38 | 109.5° | 114.0° |
H4 | C12 | H5 | 109.5° | 109.5° |
H7 | C02 | H8 | 109.5° | 109.5° |
H21 | C50 | H22 | 109.4° | 109.5° |
H23 | C51 | H24 | 109.5° | 109.5° |
H25 | C55 | H26 | 109.5° | 109.5° |
H27 | C56 | H28 | 109.5° | 109.4° |
H29 | C60 | H16 | 109.5° | 109.5° |
H30 | C61 | H18 | 109.5° | 109.5° |
H31 | N25 | H32 | 109.5° | 119.9° |
H33 | N47 | H34 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O63 | C62 | O64 | C61 | 179.9° | 179.9° |
O63 | C62 | C61 | C60 | 15.5° | 0.1° |
O63 | C62 | C61 | H30 | 105.4° | 120.0° |
O63 | C62 | O64 | H44 | 0.0° | 0.1° |
O63 | C62 | C61 | H18 | 136.4° | 120.0° |
O64 | C62 | C61 | C60 | 164.4° | 180.0° |
O64 | C62 | C61 | H30 | 74.7° | 60.1° |
O64 | C62 | C61 | H18 | 43.5° | 59.9° |
C62 | C61 | C60 | H30 | 120.9° | 120.0° |
C62 | C61 | C60 | H18 | 120.9° | 120.0° |
C62 | C61 | C60 | P49 | 176.7° | 180.0° |
C62 | C61 | C60 | H29 | 55.8° | 60.0° |
C62 | C61 | H30 | H18 | 117.1° | 120.0° |
C61 | C62 | O64 | H44 | 179.9° | 180.0° |
C62 | C61 | C60 | H16 | 62.3° | 60.0° |
O59 | C57 | O58 | C56 | 179.4° | 180.0° |
O59 | C57 | C56 | C55 | 0.4° | 0.0° |
O59 | C57 | C56 | H27 | 120.7° | 120.0° |
O59 | C57 | C56 | H28 | 121.4° | 120.0° |
O59 | C57 | O58 | H43 | 0.0° | 0.0° |
O58 | C57 | C56 | C55 | 179.1° | 180.0° |
O58 | C57 | C56 | H27 | 59.9° | 60.1° |
O58 | C57 | C56 | H28 | 58.1° | 59.9° |
C61 | C60 | P49 | H29 | 120.9° | 120.1° |
C61 | C60 | P49 | H16 | 120.9° | 119.9° |
C61 | C60 | P49 | C55 | 165.4° | 180.0° |
C61 | C60 | P49 | C50 | 47.2° | 89.9° |
C61 | C60 | P49 | C43 | 78.8° | 90.0° |
C61 | C60 | H29 | H16 | 117.1° | 120.0° |
C60 | C61 | H30 | H18 | 117.1° | 120.0° |
C61 | C60 | P49 | H45 | 25.9° | 0.1° |
C57 | C56 | C55 | H27 | 121.0° | 120.0° |
C57 | C56 | C55 | H28 | 121.0° | 120.0° |
C57 | C56 | C55 | P49 | 86.8° | 123.6° |
C57 | C56 | C55 | H25 | 34.1° | 116.5° |
C57 | C56 | C55 | H26 | 152.3° | 3.5° |
C57 | C56 | H27 | H28 | 116.8° | 120.0° |
C56 | C57 | O58 | H43 | 179.4° | 180.0° |
C60 | P49 | C55 | C56 | 70.6° | 178.9° |
C60 | P49 | C55 | C50 | 117.5° | 120.0° |
C60 | P49 | C55 | C43 | 117.1° | 120.0° |
C60 | P49 | C55 | H45 | 124.4° | 80.2° |
C60 | P49 | C50 | C43 | 120.8° | 179.9° |
C60 | P49 | C50 | H45 | 74.2° | 90.0° |
C60 | P49 | C43 | H45 | 104.4° | 90.0° |
C60 | P49 | C50 | C51 | 99.7° | 5.0° |
C60 | P49 | C43 | C44 | 72.0° | 163.3° |
C60 | P49 | C43 | C42 | 167.9° | 41.9° |
C60 | P49 | C43 | H19 | 50.2° | 77.4° |
C60 | P49 | C50 | H21 | 139.5° | 125.0° |
C60 | P49 | C50 | H22 | 21.2° | 115.0° |
C60 | P49 | C55 | H25 | 50.4° | 59.0° |
C60 | P49 | C55 | H26 | 168.5° | 61.1° |
P49 | C60 | H29 | H16 | 117.0° | 120.0° |
P49 | C60 | C61 | H30 | 62.3° | 60.0° |
P49 | C60 | C61 | H18 | 55.8° | 60.0° |
N47 | C46 | O48 | C44 | 179.7° | 180.0° |
N47 | C46 | C44 | C43 | 28.7° | 33.3° |
N47 | C46 | C44 | C45 | 164.0° | 146.7° |
C46 | N47 | H33 | H34 | 180.0° | 179.9° |
O48 | C46 | C44 | C43 | 151.6° | 146.7° |
O48 | C46 | C44 | C45 | 15.7° | 33.3° |
O48 | C46 | N47 | H33 | 0.0° | 166.2° |
O48 | C46 | N47 | H34 | 180.0° | 13.9° |
C56 | C55 | P49 | H25 | 120.9° | 119.9° |
C56 | C55 | P49 | H26 | 120.9° | 120.0° |
C56 | C55 | P49 | C50 | 47.0° | 58.9° |
C56 | C55 | P49 | C43 | 172.3° | 61.1° |
C56 | C55 | H25 | H26 | 117.1° | 120.0° |
C55 | C56 | H27 | H28 | 116.8° | 120.0° |
C56 | C55 | P49 | H45 | 53.9° | 100.9° |
O53 | C52 | C51 | C50 | 23.7° | 0.0° |
O53 | C52 | O54 | C51 | 179.7° | 180.0° |
O53 | C52 | C51 | H23 | 144.9° | 120.0° |
O53 | C52 | C51 | H24 | 97.4° | 120.0° |
O53 | C52 | O54 | H42 | 0.0° | 0.0° |
C46 | C44 | C43 | P49 | 78.6° | 75.8° |
C46 | C44 | C43 | C45 | 167.6° | 180.0° |
C46 | C44 | C43 | C42 | 162.8° | 163.8° |
C46 | C44 | C45 | N40 | 179.3° | 179.8° |
C46 | C44 | C43 | H19 | 40.7° | 43.5° |
C46 | C44 | C45 | H20 | 0.7° | 0.5° |
C44 | C46 | N47 | H33 | 179.7° | 13.8° |
C44 | C46 | N47 | H34 | 0.3° | 166.1° |
C55 | P49 | C50 | C43 | 118.8° | 90.0° |
C55 | P49 | C50 | H45 | 165.5° | 180.0° |
C55 | P49 | C43 | H45 | 136.1° | 180.0° |
C55 | P49 | C50 | C51 | 139.9° | 85.0° |
C55 | P49 | C43 | C44 | 47.5° | 106.7° |
C55 | P49 | C43 | C42 | 72.6° | 131.9° |
C55 | P49 | C43 | H19 | 169.7° | 12.6° |
C55 | P49 | C50 | H21 | 19.1° | 34.9° |
C55 | P49 | C50 | H22 | 99.2° | 155.0° |
P49 | C55 | H25 | H26 | 117.1° | 120.1° |
P49 | C55 | C56 | H27 | 152.2° | 116.4° |
P49 | C55 | C56 | H28 | 34.2° | 3.5° |
C55 | P49 | C60 | H29 | 73.6° | 59.9° |
C55 | P49 | C60 | H16 | 44.5° | 60.0° |
C50 | P49 | C43 | H45 | 15.9° | 90.0° |
P49 | C50 | C51 | H21 | 120.8° | 119.9° |
P49 | C50 | C51 | H22 | 120.9° | 120.0° |
P49 | C50 | C51 | C52 | 104.8° | 180.0° |
C50 | P49 | C43 | C44 | 167.7° | 16.6° |
C50 | P49 | C43 | C42 | 47.6° | 138.0° |
C50 | P49 | C43 | H19 | 70.1° | 102.7° |
P49 | C50 | H21 | H22 | 117.4° | 120.0° |
P49 | C50 | C51 | H23 | 16.3° | 60.0° |
P49 | C50 | C51 | H24 | 134.1° | 60.0° |
C50 | P49 | C55 | H25 | 167.9° | 61.0° |
C50 | P49 | C55 | H26 | 74.0° | 178.9° |
C50 | P49 | C60 | H29 | 168.1° | 150.0° |
C50 | P49 | C60 | H16 | 73.8° | 30.0° |
C43 | P49 | C50 | C51 | 21.1° | 175.0° |
P49 | C43 | C44 | C42 | 118.6° | 120.4° |
P49 | C43 | C44 | H19 | 119.3° | 119.3° |
P49 | C43 | C44 | C45 | 89.1° | 104.2° |
P49 | C43 | C42 | H19 | 113.7° | 119.3° |
P49 | C43 | C42 | C41 | 85.6° | 104.2° |
P49 | C43 | C42 | H17 | 94.4° | 75.7° |
C43 | P49 | C50 | H21 | 99.7° | 55.1° |
C43 | P49 | C50 | H22 | 142.0° | 64.9° |
C43 | P49 | C55 | H25 | 66.7° | 178.9° |
C43 | P49 | C55 | H26 | 51.4° | 58.9° |
C43 | P49 | C60 | H29 | 42.1° | 30.0° |
C43 | P49 | C60 | H16 | 160.2° | 150.0° |
C50 | C51 | C52 | O54 | 156.0° | 180.0° |
C50 | C51 | C52 | H23 | 121.1° | 120.0° |
C50 | C51 | C52 | H24 | 121.1° | 120.0° |
C51 | C50 | H21 | H22 | 117.4° | 120.0° |
C50 | C51 | H23 | H24 | 116.4° | 120.0° |
C51 | C50 | P49 | H45 | 25.5° | 95.0° |
O54 | C52 | C51 | H23 | 34.9° | 60.0° |
O54 | C52 | C51 | H24 | 82.9° | 60.0° |
C52 | C51 | C50 | H21 | 134.3° | 60.0° |
C52 | C51 | C50 | H22 | 16.0° | 60.0° |
C52 | C51 | H23 | H24 | 116.4° | 120.0° |
C51 | C52 | O54 | H42 | 179.7° | 180.0° |
C44 | C43 | C42 | H19 | 121.8° | 120.3° |
C43 | C44 | C45 | N40 | 11.6° | 0.2° |
C44 | C43 | C42 | C41 | 38.9° | 16.2° |
C44 | C43 | C42 | H17 | 141.1° | 163.9° |
C43 | C44 | C45 | H20 | 168.4° | 179.5° |
C44 | C43 | P49 | H45 | 176.4° | 73.4° |
C45 | C44 | C43 | C42 | 29.5° | 16.2° |
C44 | C45 | N40 | H20 | 180.0° | 179.7° |
C44 | C45 | N40 | C41 | 2.6° | 18.0° |
C44 | C45 | N40 | C35 | 178.0° | 162.4° |
C45 | C44 | C43 | H19 | 151.7° | 136.5° |
C43 | C42 | C41 | H17 | 180.0° | 179.9° |
C43 | C42 | C41 | N40 | 28.1° | 0.1° |
C43 | C42 | C41 | H15 | 151.9° | 179.7° |
C42 | C43 | P49 | H45 | 63.5° | 48.1° |
C45 | N40 | C41 | C42 | 5.0° | 18.2° |
C45 | N40 | C41 | C35 | 179.5° | 179.6° |
C45 | N40 | C35 | C36 | 141.1° | 115.0° |
C45 | N40 | C35 | O34 | 103.7° | 129.6° |
C45 | N40 | C35 | H12 | 17.8° | 7.4° |
C45 | N40 | C41 | H15 | 175.0° | 162.0° |
C42 | C41 | N40 | H15 | 180.0° | 179.8° |
C42 | C41 | N40 | C35 | 174.5° | 162.2° |
C41 | C42 | C43 | H19 | 160.7° | 136.5° |
C41 | N40 | C35 | C36 | 39.5° | 65.4° |
C41 | N40 | C35 | O34 | 75.7° | 50.0° |
C41 | N40 | C35 | H12 | 162.8° | 172.2° |
N40 | C41 | C42 | H17 | 151.9° | 180.0° |
C41 | N40 | C45 | H20 | 177.4° | 162.3° |
N40 | C35 | C36 | O37 | 93.2° | 98.5° |
N40 | C35 | C36 | O34 | 117.7° | 118.9° |
N40 | C35 | C36 | H12 | 123.2° | 122.4° |
N40 | C35 | O34 | H12 | 119.4° | 122.3° |
N40 | C35 | C36 | C38 | 148.4° | 142.8° |
N40 | C35 | O34 | C01 | 144.8° | 159.3° |
N40 | C35 | C36 | H13 | 31.0° | 24.1° |
C35 | N40 | C41 | H15 | 5.5° | 17.6° |
C35 | N40 | C45 | H20 | 2.0° | 17.3° |
O37 | C36 | C35 | C38 | 118.4° | 118.7° |
O37 | C36 | C35 | H13 | 124.1° | 122.6° |
O37 | C36 | C35 | O34 | 149.2° | 142.6° |
O37 | C36 | C38 | H13 | 125.0° | 122.6° |
O37 | C36 | C38 | O39 | 27.5° | 0.1° |
O37 | C36 | C38 | C01 | 145.7° | 118.7° |
O37 | C36 | C35 | H12 | 30.0° | 23.9° |
O37 | C36 | C38 | H14 | 97.9° | 122.7° |
C36 | C35 | O34 | H12 | 117.1° | 118.8° |
C35 | C36 | C38 | H13 | 117.3° | 118.7° |
C36 | C35 | O34 | C01 | 21.3° | 40.4° |
C35 | C36 | C38 | O39 | 90.2° | 118.6° |
C35 | C36 | C38 | C01 | 28.1° | 0.1° |
C35 | C36 | C38 | H14 | 144.5° | 118.6° |
C35 | C36 | O37 | H40 | 180.0° | 179.9° |
O34 | C35 | C36 | C38 | 30.7° | 24.0° |
C35 | O34 | C01 | C38 | 3.0° | 40.4° |
C35 | O34 | C01 | C02 | 123.2° | 159.3° |
C35 | O34 | C01 | H6 | 116.4° | 78.5° |
O34 | C35 | C36 | H13 | 86.7° | 94.7° |
C36 | C38 | C01 | O34 | 16.8° | 23.9° |
C36 | C38 | O39 | C01 | 111.9° | 114.6° |
C36 | C38 | O39 | H14 | 124.0° | 122.8° |
C36 | C38 | C01 | H14 | 116.0° | 118.6° |
C36 | C38 | C01 | C02 | 104.0° | 142.8° |
C36 | C38 | C01 | H6 | 137.1° | 95.0° |
C38 | C36 | C35 | H12 | 88.5° | 94.8° |
C38 | C36 | O37 | H40 | 66.0° | 65.3° |
C36 | C38 | O39 | H41 | 180.0° | 61.5° |
O34 | C01 | C38 | O39 | 102.0° | 142.5° |
O34 | C01 | C38 | C02 | 120.8° | 118.9° |
O34 | C01 | C38 | H6 | 120.2° | 118.9° |
O34 | C01 | C02 | H6 | 121.4° | 122.2° |
O34 | C01 | C02 | O03 | 46.5° | 67.9° |
O34 | C01 | C02 | H7 | 73.5° | 172.1° |
O34 | C01 | C02 | H8 | 166.5° | 52.1° |
C01 | O34 | C35 | H12 | 95.8° | 78.4° |
O34 | C01 | C38 | H14 | 132.8° | 94.7° |
O39 | C38 | C01 | H14 | 125.2° | 122.7° |
O39 | C38 | C01 | C02 | 137.1° | 98.5° |
O39 | C38 | C01 | H6 | 18.2° | 23.7° |
O39 | C38 | C36 | H13 | 152.5° | 122.8° |
C38 | C01 | C02 | H6 | 119.1° | 122.3° |
C38 | C01 | C02 | O03 | 73.0° | 176.5° |
C38 | C01 | C02 | H7 | 167.0° | 56.5° |
C38 | C01 | C02 | H8 | 47.0° | 63.5° |
C01 | C38 | C36 | H13 | 89.2° | 118.6° |
C01 | C38 | O39 | H41 | 68.0° | 176.1° |
C01 | C02 | O03 | H7 | 120.0° | 120.0° |
C01 | C02 | O03 | H8 | 119.9° | 120.0° |
C01 | C02 | O03 | P04 | 164.6° | 180.0° |
C01 | C02 | H7 | H8 | 120.1° | 120.0° |
C02 | C01 | C38 | H14 | 12.0° | 24.2° |
C02 | O03 | P04 | O06 | 149.0° | 55.0° |
C02 | O03 | P04 | O07 | 87.8° | 175.0° |
C02 | O03 | P04 | O05 | 25.2° | 65.0° |
O03 | C02 | C01 | H6 | 167.9° | 54.3° |
O03 | C02 | H7 | H8 | 120.1° | 120.0° |
O03 | P04 | O06 | O07 | 114.0° | 120.0° |
O03 | P04 | O06 | O05 | 108.6° | 120.0° |
O03 | P04 | O07 | O05 | 108.9° | 120.0° |
O03 | P04 | O07 | P08 | 40.2° | 160.0° |
P04 | O03 | C02 | H7 | 75.4° | 60.0° |
P04 | O03 | C02 | H8 | 44.6° | 60.0° |
O03 | P04 | O05 | H35 | 106.1° | 60.0° |
O06 | P04 | O07 | O05 | 142.4° | 120.0° |
O06 | P04 | O07 | P08 | 148.9° | 40.0° |
O06 | P04 | O05 | H35 | 0.0° | 180.0° |
O10 | P08 | O07 | P04 | 90.2° | 40.0° |
O10 | P08 | O07 | O09 | 128.3° | 120.0° |
O10 | P08 | O07 | O11 | 119.9° | 120.0° |
O10 | P08 | O09 | O11 | 123.4° | 120.0° |
O10 | P08 | O11 | C12 | 164.4° | 55.0° |
O10 | P08 | O09 | H36 | 0.0° | 180.0° |
P04 | O07 | P08 | O09 | 38.1° | 80.0° |
P04 | O07 | P08 | O11 | 149.9° | 160.0° |
O07 | P04 | O05 | H35 | 141.5° | 60.0° |
O05 | P04 | O07 | P08 | 68.7° | 80.0° |
N25 | C24 | C19 | N18 | 0.0° | 0.2° |
N25 | C24 | C19 | N23 | 179.8° | 179.7° |
N25 | C24 | C19 | C20 | 180.0° | 180.0° |
N25 | C24 | N23 | C22 | 180.0° | 179.8° |
C24 | N25 | H31 | H32 | 120.0° | 179.8° |
O07 | P08 | O09 | O11 | 110.5° | 120.0° |
O07 | P08 | O11 | C12 | 42.4° | 175.0° |
O07 | P08 | O09 | H36 | 126.1° | 60.0° |
N18 | C19 | C24 | C20 | 180.0° | 179.7° |
N18 | C19 | C24 | N23 | 179.8° | 180.0° |
C19 | N18 | C17 | N16 | 0.1° | 0.3° |
N18 | C19 | C20 | N16 | 0.1° | 0.2° |
N18 | C19 | C20 | N21 | 179.8° | 179.6° |
C19 | N18 | C17 | H10 | 179.9° | 180.0° |
C17 | N18 | C19 | C24 | 180.0° | 179.9° |
C17 | N18 | C19 | C20 | 0.0° | 0.3° |
N18 | C17 | N16 | H10 | 180.0° | 179.7° |
N18 | C17 | N16 | C20 | 0.1° | 0.2° |
N18 | C17 | N16 | C15 | 179.9° | 180.0° |
O09 | P08 | O11 | C12 | 68.0° | 65.0° |
P08 | O11 | C12 | C13 | 162.4° | 180.0° |
P08 | O11 | C12 | H4 | 41.9° | 60.0° |
P08 | O11 | C12 | H5 | 77.1° | 60.0° |
O11 | P08 | O09 | H36 | 123.5° | 59.9° |
C19 | C24 | N23 | C22 | 0.2° | 0.1° |
C24 | C19 | C20 | N16 | 180.0° | 180.0° |
C24 | C19 | C20 | N21 | 0.2° | 0.6° |
C19 | C24 | N25 | H31 | 179.8° | 0.1° |
C19 | C24 | N25 | H32 | 59.8° | 179.9° |
N23 | C24 | C19 | C20 | 0.2° | 0.3° |
C24 | N23 | C22 | N21 | 0.1° | 0.1° |
C24 | N23 | C22 | H2 | 179.9° | 179.7° |
N23 | C24 | N25 | H31 | 0.0° | 179.6° |
N23 | C24 | N25 | H32 | 120.0° | 0.2° |
C19 | C20 | N16 | C17 | 0.1° | 0.0° |
C19 | C20 | N16 | N21 | 179.7° | 179.3° |
C19 | C20 | N16 | C15 | 179.8° | 179.8° |
C19 | C20 | N21 | C22 | 0.2° | 0.6° |
C17 | N16 | C20 | C15 | 179.7° | 179.8° |
C17 | N16 | C20 | N21 | 179.8° | 179.3° |
C17 | N16 | C15 | O14 | 3.8° | 19.1° |
C17 | N16 | C15 | C26 | 116.3° | 95.0° |
C17 | N16 | C15 | H1 | 125.4° | 142.2° |
O11 | C12 | C13 | H4 | 120.5° | 119.9° |
O11 | C12 | C13 | H5 | 120.5° | 120.0° |
O11 | C12 | C13 | O14 | 66.7° | 67.2° |
O11 | C12 | C13 | C32 | 48.5° | 175.0° |
O11 | C12 | H4 | H5 | 118.5° | 120.0° |
O11 | C12 | C13 | H9 | 168.6° | 54.0° |
N23 | C22 | N21 | C20 | 0.1° | 0.4° |
N23 | C22 | N21 | H2 | 180.0° | 179.6° |
C12 | C13 | O14 | C32 | 118.5° | 119.4° |
C12 | C13 | O14 | H9 | 124.0° | 121.1° |
C12 | C13 | O14 | C15 | 126.3° | 145.9° |
C12 | C13 | C32 | H9 | 119.8° | 121.0° |
C12 | C13 | C32 | C26 | 156.3° | 121.4° |
C12 | C13 | C32 | O33 | 83.4° | 119.9° |
C13 | C12 | H4 | H5 | 118.5° | 120.0° |
C12 | C13 | C32 | H11 | 38.8° | 2.8° |
N16 | C20 | N21 | C22 | 179.8° | 179.9° |
C20 | N16 | C15 | O14 | 176.5° | 161.1° |
C20 | N16 | C15 | C26 | 63.4° | 84.8° |
C20 | N16 | C15 | H1 | 54.9° | 38.1° |
C20 | N16 | C17 | H10 | 179.9° | 179.8° |
C15 | N16 | C20 | N21 | 0.5° | 0.5° |
N16 | C15 | O14 | C13 | 99.4° | 158.6° |
N16 | C15 | O14 | C26 | 122.2° | 118.5° |
N16 | C15 | O14 | H1 | 120.4° | 123.0° |
N16 | C15 | C26 | H1 | 118.2° | 122.8° |
N16 | C15 | C26 | C32 | 81.5° | 155.7° |
N16 | C15 | C26 | O27 | 160.9° | 86.1° |
N16 | C15 | C26 | H3 | 33.3° | 37.5° |
C15 | N16 | C17 | H10 | 0.1° | 0.4° |
C20 | N21 | C22 | H2 | 179.9° | 180.0° |
O14 | C13 | C32 | H9 | 118.0° | 119.6° |
C13 | O14 | C15 | C26 | 22.8° | 40.1° |
O14 | C13 | C32 | C26 | 34.2° | 2.1° |
O14 | C13 | C32 | O33 | 154.5° | 120.7° |
C13 | O14 | C15 | H1 | 140.1° | 78.4° |
O14 | C13 | C12 | H4 | 172.8° | 172.8° |
O14 | C13 | C12 | H5 | 53.8° | 52.8° |
O14 | C13 | C32 | H11 | 83.3° | 116.6° |
C15 | O14 | C13 | C32 | 7.8° | 26.6° |
O14 | C15 | C26 | H1 | 118.5° | 118.5° |
O14 | C15 | C26 | C32 | 41.8° | 37.0° |
O14 | C15 | C26 | O27 | 75.8° | 155.2° |
O14 | C15 | C26 | H3 | 156.6° | 81.2° |
C15 | O14 | C13 | H9 | 109.7° | 92.9° |
C13 | C32 | C26 | C15 | 44.8° | 20.9° |
C13 | C32 | C26 | O33 | 113.5° | 118.6° |
C13 | C32 | C26 | H11 | 117.9° | 118.7° |
C13 | C32 | O33 | H11 | 120.9° | 122.6° |
C13 | C32 | C26 | O27 | 69.5° | 139.1° |
C13 | C32 | C26 | H3 | 160.0° | 97.3° |
C32 | C13 | C12 | H4 | 72.0° | 55.0° |
C32 | C13 | C12 | H5 | 169.0° | 65.0° |
C13 | C32 | O33 | H39 | 112.4° | 61.5° |
C15 | C26 | C32 | O27 | 114.3° | 118.2° |
C15 | C26 | C32 | H3 | 115.2° | 118.2° |
C15 | C26 | C32 | O33 | 158.3° | 97.8° |
C15 | C26 | O27 | H3 | 125.7° | 123.7° |
C15 | C26 | O27 | P28 | 163.9° | 120.0° |
C15 | C26 | C32 | H11 | 73.1° | 139.5° |
C26 | C32 | O33 | H11 | 127.4° | 122.7° |
C32 | C26 | O27 | H3 | 128.6° | 123.6° |
C32 | C26 | O27 | P28 | 90.5° | 127.3° |
C32 | C26 | C15 | H1 | 160.3° | 81.5° |
C26 | C32 | C13 | H9 | 83.8° | 117.6° |
C26 | C32 | O33 | H39 | 0.8° | 176.2° |
O33 | C32 | C26 | O27 | 44.0° | 20.4° |
O33 | C32 | C26 | H3 | 86.6° | 144.0° |
O33 | C32 | C13 | H9 | 36.5° | 1.1° |
C26 | O27 | P28 | O29 | 63.8° | 55.0° |
C26 | O27 | P28 | O30 | 56.2° | 175.0° |
C26 | O27 | P28 | O31 | 178.0° | 65.0° |
O27 | C26 | C15 | H1 | 42.7° | 36.7° |
O27 | C26 | C32 | H11 | 172.7° | 102.3° |
O27 | P28 | O29 | O30 | 106.9° | 120.0° |
O27 | P28 | O29 | O31 | 108.8° | 120.0° |
O27 | P28 | O30 | O31 | 111.5° | 120.0° |
P28 | O27 | C26 | H3 | 38.2° | 3.6° |
O27 | P28 | O30 | H37 | 105.0° | 180.0° |
O27 | P28 | O31 | H38 | 105.5° | 59.9° |
O29 | P28 | O30 | O31 | 143.5° | 120.0° |
O29 | P28 | O30 | H37 | 0.0° | 60.0° |
O29 | P28 | O31 | H38 | 0.0° | 180.0° |
O30 | P28 | O31 | H38 | 144.4° | 60.0° |
O31 | P28 | O30 | H37 | 143.5° | 60.0° |
H1 | C15 | C26 | H3 | 84.9° | 160.3° |
H3 | C26 | C32 | H11 | 42.1° | 21.3° |
H4 | C12 | C13 | H9 | 48.1° | 66.0° |
H5 | C12 | C13 | H9 | 70.9° | 174.0° |
H6 | C01 | C02 | H7 | 47.9° | 65.8° |
H6 | C01 | C02 | H8 | 72.1° | 174.2° |
H6 | C01 | C38 | H14 | 106.9° | 146.4° |
H9 | C13 | C32 | H11 | 158.7° | 123.8° |
H11 | C32 | O33 | H39 | 126.6° | 61.2° |
H12 | C35 | C36 | H13 | 154.1° | 146.5° |
H13 | C36 | C38 | H14 | 27.2° | 0.1° |
H13 | C36 | O37 | H40 | 57.5° | 57.4° |
H14 | C38 | O39 | H41 | 56.0° | 61.2° |
H15 | C41 | C42 | H17 | 28.1° | 0.2° |
H17 | C42 | C43 | H19 | 19.3° | 43.6° |
H19 | C43 | P49 | H45 | 54.2° | 167.4° |
H21 | C50 | C51 | H23 | 104.5° | 60.0° |
H21 | C50 | C51 | H24 | 13.2° | 180.0° |
H21 | C50 | P49 | H45 | 146.4° | 145.0° |
H22 | C50 | C51 | H23 | 137.2° | 180.0° |
H22 | C50 | C51 | H24 | 105.1° | 60.0° |
H22 | C50 | P49 | H45 | 95.3° | 25.0° |
H25 | C55 | C56 | H27 | 86.9° | 3.5° |
H25 | C55 | C56 | H28 | 155.1° | 123.4° |
H25 | C55 | P49 | H45 | 174.8° | 139.2° |
H26 | C55 | C56 | H27 | 31.3° | 123.5° |
H26 | C55 | C56 | H28 | 86.7° | 116.5° |
H26 | C55 | P49 | H45 | 67.1° | 19.1° |
H29 | C60 | C61 | H30 | 176.7° | 60.0° |
H29 | C60 | C61 | H18 | 65.1° | 180.0° |
H29 | C60 | P49 | H45 | 146.9° | 120.0° |
H30 | C61 | C60 | H16 | 58.6° | 180.0° |
H16 | C60 | C61 | H18 | 176.7° | 60.0° |
H16 | C60 | P49 | H45 | 95.0° | 120.0° |