EV0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O11 | C3 | doub | 1.22Å | 1.21Å | |
C3 | C1 | sing | 1.41Å | 1.47Å | |
C3 | N5 | sing | 1.35Å | 1.38Å | |
C1 | C2 | doub | 1.36Å | 1.35Å | |
N5 | C6 | sing | 1.36Å | 1.38Å | |
C6 | N7 | sing | 1.37Å | 1.37Å | |
C6 | N4 | doub | 1.32Å | 1.31Å | |
N4 | C2 | sing | 1.33Å | 1.49Å | |
C2 | C8 | sing | 1.51Å | 1.53Å | |
C8 | C9 | sing | 1.53Å | 1.54Å | |
C9 | C10 | sing | 1.53Å | 1.54Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
N5 | HN5 | sing | 0.97Å | 1.00Å | |
N7 | HN7 | sing | 0.97Å | 1.00Å | |
N7 | HN7A | sing | 0.97Å | 1.00Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C10 | H10B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O11 | C3 | C1 | 120.8° | 120.7° |
O11 | C3 | N5 | 119.0° | 120.6° |
C1 | C3 | N5 | 120.1° | 118.8° |
C3 | C1 | C2 | 118.3° | 118.9° |
C3 | C1 | H1 | 120.9° | 120.6° |
C3 | N5 | C6 | 120.4° | 119.7° |
C3 | N5 | HN5 | 119.8° | 120.2° |
C1 | C2 | N4 | 118.3° | 120.1° |
C1 | C2 | C8 | 123.4° | 120.0° |
C2 | C1 | H1 | 120.8° | 120.5° |
N5 | C6 | N7 | 118.4° | 119.4° |
N5 | C6 | N4 | 120.9° | 121.2° |
C6 | N5 | HN5 | 119.8° | 120.1° |
N7 | C6 | N4 | 120.7° | 119.4° |
C6 | N7 | HN7 | 109.1° | 120.0° |
C6 | N7 | HN7A | 125.4° | 120.0° |
C6 | N4 | C2 | 122.0° | 121.3° |
N4 | C2 | C8 | 118.3° | 119.9° |
C2 | C8 | C9 | 116.5° | 109.5° |
C2 | C8 | H8 | 107.2° | 109.5° |
C2 | C8 | H8A | 105.6° | 109.4° |
C8 | C9 | C10 | 109.7° | 109.5° |
C9 | C8 | H8 | 107.2° | 109.5° |
C9 | C8 | H8A | 105.6° | 109.5° |
C8 | C9 | H9 | 109.4° | 109.4° |
C8 | C9 | H9A | 109.4° | 109.5° |
C10 | C9 | H9 | 109.4° | 109.4° |
C10 | C9 | H9A | 109.4° | 109.5° |
C9 | C10 | H10 | 109.5° | 109.4° |
C9 | C10 | H10A | 109.5° | 109.5° |
C9 | C10 | H10B | 109.5° | 109.5° |
HN7 | N7 | HN7A | 125.5° | 120.0° |
H8 | C8 | H8A | 115.1° | 109.5° |
H9 | C9 | H9A | 109.6° | 109.5° |
H10 | C10 | H10A | 109.5° | 109.4° |
H10 | C10 | H10B | 109.5° | 109.4° |
H10A | C10 | H10B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O11 | C3 | C1 | N5 | 179.9° | 179.7° |
O11 | C3 | C1 | C2 | 179.6° | 180.0° |
O11 | C3 | N5 | C6 | 179.7° | 180.0° |
O11 | C3 | C1 | H1 | 0.4° | 0.0° |
O11 | C3 | N5 | HN5 | 0.3° | 0.0° |
C3 | C1 | C2 | H1 | 180.0° | 179.9° |
C1 | C3 | N5 | C6 | 0.2° | 0.3° |
C3 | C1 | C2 | N4 | 0.1° | 0.0° |
C3 | C1 | C2 | C8 | 179.9° | 180.0° |
C1 | C3 | N5 | HN5 | 179.8° | 179.7° |
N5 | C3 | C1 | C2 | 0.3° | 0.3° |
C3 | N5 | C6 | HN5 | 180.0° | 180.0° |
C3 | N5 | C6 | N7 | 179.9° | 179.9° |
C3 | N5 | C6 | N4 | 0.0° | 0.0° |
N5 | C3 | C1 | H1 | 179.7° | 179.7° |
C1 | C2 | N4 | C6 | 0.1° | 0.3° |
C1 | C2 | N4 | C8 | 180.0° | 180.0° |
C1 | C2 | C8 | C9 | 23.1° | 95.0° |
C1 | C2 | C8 | H8 | 143.1° | 145.0° |
C1 | C2 | C8 | H8A | 93.7° | 25.0° |
N5 | C6 | N7 | N4 | 179.9° | 179.9° |
N5 | C6 | N4 | C2 | 0.2° | 0.3° |
N5 | C6 | N7 | HN7 | 180.0° | 0.0° |
N5 | C6 | N7 | HN7A | 0.0° | 180.0° |
N7 | C6 | N4 | C2 | 179.9° | 179.7° |
N7 | C6 | N5 | HN5 | 0.1° | 0.0° |
C6 | N7 | HN7 | HN7A | 180.0° | 180.0° |
C6 | N4 | C2 | C8 | 179.9° | 179.7° |
N4 | C6 | N5 | HN5 | 180.0° | 180.0° |
N4 | C6 | N7 | HN7 | 0.1° | 180.0° |
N4 | C6 | N7 | HN7A | 179.9° | 0.1° |
N4 | C2 | C8 | C9 | 157.0° | 85.0° |
N4 | C2 | C1 | H1 | 179.8° | 180.0° |
N4 | C2 | C8 | H8 | 37.0° | 35.0° |
N4 | C2 | C8 | H8A | 86.2° | 155.0° |
C2 | C8 | C9 | H8 | 120.0° | 120.0° |
C2 | C8 | C9 | H8A | 116.8° | 120.0° |
C2 | C8 | C9 | C10 | 159.7° | 179.9° |
C8 | C2 | C1 | H1 | 0.1° | 0.1° |
C2 | C8 | H8 | H8A | 117.1° | 120.0° |
C2 | C8 | C9 | H9 | 80.3° | 60.0° |
C2 | C8 | C9 | H9A | 39.7° | 60.0° |
C8 | C9 | C10 | H9 | 120.0° | 119.9° |
C8 | C9 | C10 | H9A | 119.9° | 120.1° |
C9 | C8 | H8 | H8A | 117.1° | 120.0° |
C8 | C9 | H9 | H9A | 119.9° | 120.0° |
C8 | C9 | C10 | H10 | 81.5° | 60.0° |
C8 | C9 | C10 | H10A | 38.5° | 59.9° |
C8 | C9 | C10 | H10B | 158.5° | 180.0° |
C10 | C9 | C8 | H8 | 39.7° | 60.0° |
C10 | C9 | C8 | H8A | 83.5° | 60.0° |
C10 | C9 | H9 | H9A | 119.9° | 120.0° |
C9 | C10 | H10 | H10A | 120.0° | 120.0° |
C9 | C10 | H10 | H10B | 120.0° | 120.0° |
C9 | C10 | H10A | H10B | 120.0° | 120.1° |
H8 | C8 | C9 | H9 | 159.7° | 180.0° |
H8 | C8 | C9 | H9A | 80.3° | 60.0° |
H8A | C8 | C9 | H9 | 36.5° | 60.0° |
H8A | C8 | C9 | H9A | 156.5° | 180.0° |
H9 | C9 | C10 | H10 | 158.5° | 180.0° |
H9 | C9 | C10 | H10A | 81.5° | 60.0° |
H9 | C9 | C10 | H10B | 38.5° | 60.1° |
H9A | C9 | C10 | H10 | 38.4° | 60.0° |
H9A | C9 | C10 | H10A | 158.4° | 180.0° |
H9A | C9 | C10 | H10B | 81.6° | 59.9° |
H10 | C10 | H10A | H10B | 120.0° | 120.0° |