48V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N05 | C03 | sing | 1.35Å | 1.43Å | |
C03 | O04 | doub | 1.21Å | 1.23Å | |
C03 | C02 | sing | 1.51Å | 1.47Å | |
N01 | C02 | sing | 1.47Å | 1.52Å | |
C02 | C06 | sing | 1.53Å | 1.54Å | |
C06 | S07 | sing | 1.81Å | 1.84Å | |
S07 | C08 | sing | 1.81Å | 1.88Å | |
O10 | C09 | doub | 1.21Å | 1.45Å | |
C08 | C09 | sing | 1.51Å | 1.58Å | |
C09 | O1 | sing | 1.34Å | 1.39Å | |
N01 | H1 | sing | 1.01Å | 1.00Å | |
N01 | H2 | sing | 1.01Å | 1.00Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
N05 | H5 | sing | 0.97Å | 1.00Å | |
N05 | H6 | sing | 0.97Å | 1.00Å | |
C06 | H7 | sing | 1.09Å | 1.10Å | |
C06 | H8 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C08 | H10 | sing | 1.09Å | 1.10Å | |
O1 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N05 | C03 | O04 | 120.7° | 120.0° |
N05 | C03 | C02 | 117.3° | 120.0° |
C03 | N05 | H5 | 120.0° | 120.0° |
C03 | N05 | H6 | 120.0° | 120.1° |
O04 | C03 | C02 | 121.9° | 120.0° |
C03 | C02 | N01 | 106.8° | 109.5° |
C03 | C02 | C06 | 109.6° | 109.5° |
C03 | C02 | H4 | 111.4° | 109.5° |
N01 | C02 | C06 | 107.8° | 109.5° |
C02 | N01 | H1 | 109.5° | 111.0° |
C02 | N01 | H2 | 109.5° | 111.0° |
N01 | C02 | H4 | 110.7° | 109.5° |
C02 | C06 | S07 | 105.2° | 109.5° |
C06 | C02 | H4 | 110.3° | 109.4° |
C02 | C06 | H7 | 110.5° | 109.5° |
C02 | C06 | H8 | 110.5° | 109.5° |
C06 | S07 | C08 | 107.7° | 103.0° |
S07 | C06 | H7 | 110.5° | 109.5° |
S07 | C06 | H8 | 110.6° | 109.5° |
S07 | C08 | C09 | 114.6° | 109.5° |
S07 | C08 | H9 | 108.2° | 109.5° |
S07 | C08 | H10 | 108.2° | 109.5° |
O10 | C09 | C08 | 126.2° | 120.0° |
O10 | C09 | O1 | 122.9° | 120.0° |
C08 | C09 | O1 | 110.9° | 120.1° |
C09 | C08 | H9 | 108.2° | 109.4° |
C09 | C08 | H10 | 108.2° | 109.5° |
C09 | O1 | H11 | 109.5° | 117.1° |
H1 | N01 | H2 | 109.4° | 111.0° |
H5 | N05 | H6 | 120.0° | 119.9° |
H7 | C06 | H8 | 109.5° | 109.5° |
H9 | C08 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N05 | C03 | O04 | C02 | 179.9° | 180.0° |
N05 | C03 | C02 | N01 | 146.0° | 160.0° |
N05 | C03 | C02 | C06 | 97.4° | 80.0° |
N05 | C03 | C02 | H4 | 25.0° | 40.0° |
C03 | N05 | H5 | H6 | 180.0° | 180.0° |
O04 | C03 | C02 | N01 | 34.1° | 20.0° |
O04 | C03 | C02 | C06 | 82.4° | 100.0° |
O04 | C03 | C02 | H4 | 155.1° | 140.0° |
O04 | C03 | N05 | H5 | 0.0° | 0.0° |
O04 | C03 | N05 | H6 | 180.0° | 180.0° |
C03 | C02 | N01 | C06 | 117.8° | 120.0° |
C03 | C02 | N01 | H4 | 121.5° | 120.0° |
C03 | C02 | C06 | H4 | 123.0° | 120.0° |
C03 | C02 | C06 | S07 | 78.0° | 180.0° |
C03 | C02 | N01 | H1 | 180.0° | 64.0° |
C03 | C02 | N01 | H2 | 60.0° | 60.0° |
C02 | C03 | N05 | H5 | 179.9° | 180.0° |
C02 | C03 | N05 | H6 | 0.1° | 0.0° |
C03 | C02 | C06 | H7 | 41.3° | 60.0° |
C03 | C02 | C06 | H8 | 162.7° | 60.0° |
N01 | C02 | C06 | H4 | 121.0° | 120.0° |
N01 | C02 | C06 | S07 | 38.0° | 60.0° |
C02 | N01 | H1 | H2 | 120.0° | 124.0° |
N01 | C02 | C06 | H7 | 157.3° | 60.0° |
N01 | C02 | C06 | H8 | 81.4° | 180.0° |
C02 | C06 | S07 | H7 | 119.3° | 120.0° |
C02 | C06 | S07 | H8 | 119.3° | 120.0° |
C02 | C06 | S07 | C08 | 159.4° | 180.0° |
C06 | C02 | N01 | H1 | 62.2° | 176.0° |
C06 | C02 | N01 | H2 | 177.8° | 60.1° |
C02 | C06 | H7 | H8 | 122.0° | 120.0° |
C06 | S07 | C08 | C09 | 78.4° | 180.0° |
S07 | C06 | C02 | H4 | 159.0° | 60.0° |
S07 | C06 | H7 | H8 | 122.0° | 120.0° |
C06 | S07 | C08 | H9 | 160.9° | 60.0° |
C06 | S07 | C08 | H10 | 42.4° | 60.0° |
S07 | C08 | C09 | O10 | 11.5° | 0.0° |
S07 | C08 | C09 | H9 | 120.8° | 120.0° |
S07 | C08 | C09 | H10 | 120.7° | 120.1° |
S07 | C08 | C09 | O1 | 168.5° | 180.0° |
C08 | S07 | C06 | H7 | 81.2° | 60.0° |
C08 | S07 | C06 | H8 | 40.1° | 60.0° |
S07 | C08 | H9 | H10 | 117.6° | 120.1° |
O10 | C09 | C08 | O1 | 180.0° | 180.0° |
O10 | C09 | C08 | H9 | 109.2° | 120.0° |
O10 | C09 | C08 | H10 | 132.3° | 120.0° |
O10 | C09 | O1 | H11 | 0.0° | 0.0° |
C09 | C08 | H9 | H10 | 117.7° | 120.0° |
C08 | C09 | O1 | H11 | 180.0° | 180.0° |
O1 | C09 | C08 | H9 | 70.8° | 60.0° |
O1 | C09 | C08 | H10 | 47.7° | 59.9° |
H1 | N01 | C02 | H4 | 58.5° | 56.1° |
H2 | N01 | C02 | H4 | 61.5° | 180.0° |
H4 | C02 | C06 | H7 | 81.7° | 180.0° |
H4 | C02 | C06 | H8 | 39.6° | 60.0° |