9VA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | NFB | doub | 1.26Å | 1.38Å | |
| CAC | CAB | sing | 1.50Å | 1.39Å | |
| NFB | CFA | sing | 1.46Å | 1.47Å | |
| CFA | CFD | sing | 1.53Å | 1.53Å | |
| CFA | CEZ | sing | 1.50Å | 1.39Å | |
| CFD | OFE | sing | 1.43Å | 1.42Å | |
| CEZ | NAA | sing | 1.34Å | 1.39Å | |
| CEZ | OFC | doub | 1.21Å | 1.23Å | |
| NAA | CAB | sing | 1.46Å | 1.47Å | |
| CAB | CAH | sing | 1.53Å | 1.54Å | |
| CAH | CAJ | sing | 1.53Å | 1.53Å | |
| CAJ | CAK | sing | 1.51Å | 1.52Å | |
| CAK | OAL | doub | 1.21Å | 1.22Å | |
| CAK | NAM | sing | 1.35Å | 1.32Å | |
| CFA | H76 | sing | 1.09Å | 1.10Å | |
| CFD | H77 | sing | 1.09Å | 1.10Å | |
| CFD | H78 | sing | 1.09Å | 1.10Å | |
| OFE | H79 | sing | 0.97Å | 0.95Å | |
| NAA | H80 | sing | 0.97Å | 1.00Å | |
| CAB | H81 | sing | 1.09Å | 1.10Å | |
| CAH | H82 | sing | 1.09Å | 1.10Å | |
| CAH | H83 | sing | 1.09Å | 1.10Å | |
| CAJ | H84 | sing | 1.09Å | 1.10Å | |
| CAJ | H85 | sing | 1.09Å | 1.10Å | |
| NAM | H86 | sing | 0.97Å | 1.00Å | |
| NAM | H87 | sing | 0.97Å | 1.00Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NFB | CAC | CAB | 123.8° | 123.6° |
| CAC | NFB | CFA | 123.2° | 123.8° |
| NFB | CAC | H2 | 118.1° | 118.2° |
| CAC | CAB | NAA | 112.7° | 111.2° |
| CAC | CAB | CAH | 110.8° | 109.1° |
| CAC | CAB | H81 | 108.3° | 109.1° |
| CAB | CAC | H2 | 118.1° | 118.2° |
| NFB | CFA | CFD | 108.3° | 109.1° |
| NFB | CFA | CEZ | 113.5° | 111.2° |
| NFB | CFA | H76 | 108.4° | 109.2° |
| CFD | CFA | CEZ | 109.4° | 109.2° |
| CFA | CFD | OFE | 109.8° | 109.5° |
| CFD | CFA | H76 | 107.7° | 109.1° |
| CFA | CFD | H77 | 109.4° | 109.4° |
| CFA | CFD | H78 | 109.4° | 109.5° |
| CFA | CEZ | NAA | 122.5° | 121.9° |
| CFA | CEZ | OFC | 120.3° | 119.1° |
| CEZ | CFA | H76 | 109.5° | 109.1° |
| OFE | CFD | H77 | 109.4° | 109.5° |
| OFE | CFD | H78 | 109.4° | 109.5° |
| CFD | OFE | H79 | 109.5° | 114.1° |
| NAA | CEZ | OFC | 117.2° | 119.1° |
| CEZ | NAA | CAB | 124.0° | 122.0° |
| CEZ | NAA | H80 | 118.0° | 119.0° |
| NAA | CAB | CAH | 110.9° | 109.1° |
| CAB | NAA | H80 | 118.0° | 119.0° |
| NAA | CAB | H81 | 107.3° | 109.1° |
| CAB | CAH | CAJ | 112.0° | 109.5° |
| CAH | CAB | H81 | 106.6° | 109.1° |
| CAB | CAH | H82 | 108.8° | 109.5° |
| CAB | CAH | H83 | 108.8° | 109.5° |
| CAH | CAJ | CAK | 107.5° | 109.5° |
| CAJ | CAH | H82 | 108.8° | 109.4° |
| CAJ | CAH | H83 | 108.9° | 109.5° |
| CAH | CAJ | H84 | 109.9° | 109.4° |
| CAH | CAJ | H85 | 109.9° | 109.4° |
| CAJ | CAK | OAL | 120.1° | 120.0° |
| CAJ | CAK | NAM | 116.4° | 120.0° |
| CAK | CAJ | H84 | 109.9° | 109.4° |
| CAK | CAJ | H85 | 110.0° | 109.5° |
| OAL | CAK | NAM | 123.5° | 120.0° |
| CAK | NAM | H86 | 120.0° | 120.0° |
| CAK | NAM | H87 | 120.0° | 120.0° |
| H77 | CFD | H78 | 109.5° | 109.5° |
| H82 | CAH | H83 | 109.5° | 109.4° |
| H84 | CAJ | H85 | 109.5° | 109.5° |
| H86 | NAM | H87 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NFB | CAC | CAB | H2 | 180.0° | 179.8° |
| CAC | NFB | CFA | CFD | 115.2° | 100.9° |
| CAC | NFB | CFA | CEZ | 6.4° | 19.6° |
| NFB | CAC | CAB | NAA | 2.0° | 20.0° |
| NFB | CAC | CAB | CAH | 126.9° | 100.5° |
| CAC | NFB | CFA | H76 | 128.2° | 140.0° |
| NFB | CAC | CAB | H81 | 116.5° | 140.3° |
| CAB | CAC | NFB | CFA | 6.0° | 0.0° |
| CAC | CAB | NAA | CEZ | 0.9° | 19.3° |
| CAC | CAB | NAA | CAH | 124.8° | 120.5° |
| CAC | CAB | NAA | H81 | 119.2° | 120.4° |
| CAC | CAB | CAH | H81 | 117.6° | 119.2° |
| CAC | CAB | CAH | CAJ | 70.7° | 175.0° |
| CAC | CAB | NAA | H80 | 179.1° | 160.7° |
| CAC | CAB | CAH | H82 | 49.7° | 65.0° |
| CAC | CAB | CAH | H83 | 168.9° | 55.0° |
| NFB | CFA | CFD | CEZ | 124.1° | 121.7° |
| NFB | CFA | CFD | H76 | 117.0° | 119.2° |
| NFB | CFA | CEZ | H76 | 121.2° | 120.4° |
| NFB | CFA | CFD | OFE | 59.2° | 65.0° |
| NFB | CFA | CEZ | NAA | 3.5° | 19.4° |
| NFB | CFA | CEZ | OFC | 176.6° | 160.6° |
| NFB | CFA | CFD | H77 | 179.2° | 55.0° |
| NFB | CFA | CFD | H78 | 60.9° | 175.0° |
| CFA | NFB | CAC | H2 | 174.0° | 179.8° |
| CFD | CFA | CEZ | H76 | 117.7° | 119.2° |
| CFA | CFD | OFE | H77 | 120.0° | 120.0° |
| CFA | CFD | OFE | H78 | 120.1° | 120.0° |
| CFD | CFA | CEZ | NAA | 117.6° | 101.0° |
| CFD | CFA | CEZ | OFC | 62.3° | 79.0° |
| CFA | CFD | H77 | H78 | 119.9° | 120.0° |
| CFA | CFD | OFE | H79 | 180.0° | 180.0° |
| CEZ | CFA | CFD | OFE | 64.9° | 173.3° |
| CFA | CEZ | NAA | OFC | 179.9° | 180.0° |
| CFA | CEZ | NAA | CAB | 0.1° | 0.1° |
| CEZ | CFA | CFD | H77 | 55.1° | 66.7° |
| CEZ | CFA | CFD | H78 | 175.0° | 53.3° |
| CFA | CEZ | NAA | H80 | 179.9° | 179.9° |
| OFE | CFD | CFA | H76 | 176.2° | 54.2° |
| OFE | CFD | H77 | H78 | 119.9° | 120.0° |
| CEZ | NAA | CAB | H80 | 180.0° | 180.0° |
| CEZ | NAA | CAB | CAH | 123.9° | 101.2° |
| NAA | CEZ | CFA | H76 | 124.7° | 139.9° |
| CEZ | NAA | CAB | H81 | 120.0° | 139.7° |
| OFC | CEZ | NAA | CAB | 180.0° | 179.9° |
| OFC | CEZ | CFA | H76 | 55.4° | 40.2° |
| OFC | CEZ | NAA | H80 | 0.0° | 0.1° |
| NAA | CAB | CAH | H81 | 116.5° | 119.1° |
| NAA | CAB | CAH | CAJ | 55.2° | 63.3° |
| NAA | CAB | CAH | H82 | 175.5° | 56.7° |
| NAA | CAB | CAH | H83 | 65.2° | 176.7° |
| NAA | CAB | CAC | H2 | 178.0° | 160.3° |
| CAB | CAH | CAJ | H82 | 120.4° | 120.1° |
| CAB | CAH | CAJ | H83 | 120.4° | 120.0° |
| CAB | CAH | CAJ | CAK | 164.2° | 180.0° |
| CAH | CAB | NAA | H80 | 56.1° | 78.8° |
| CAB | CAH | H82 | H83 | 118.8° | 120.0° |
| CAB | CAH | CAJ | H84 | 44.5° | 60.0° |
| CAB | CAH | CAJ | H85 | 76.1° | 60.0° |
| CAH | CAB | CAC | H2 | 53.1° | 79.2° |
| CAH | CAJ | CAK | H84 | 119.7° | 120.0° |
| CAH | CAJ | CAK | H85 | 119.7° | 120.0° |
| CAH | CAJ | CAK | OAL | 42.7° | 0.0° |
| CAH | CAJ | CAK | NAM | 135.5° | 180.0° |
| CAJ | CAH | CAB | H81 | 171.7° | 55.8° |
| CAJ | CAH | H82 | H83 | 118.9° | 119.9° |
| CAH | CAJ | H84 | H85 | 120.9° | 120.0° |
| CAJ | CAK | OAL | NAM | 178.0° | 180.0° |
| CAK | CAJ | CAH | H82 | 75.5° | 60.0° |
| CAK | CAJ | CAH | H83 | 43.8° | 59.9° |
| CAK | CAJ | H84 | H85 | 120.9° | 120.1° |
| CAJ | CAK | NAM | H86 | 178.1° | 0.0° |
| CAJ | CAK | NAM | H87 | 1.9° | 180.0° |
| OAL | CAK | CAJ | H84 | 162.4° | 120.0° |
| OAL | CAK | CAJ | H85 | 77.0° | 120.0° |
| OAL | CAK | NAM | H86 | 0.0° | 180.0° |
| OAL | CAK | NAM | H87 | 180.0° | 0.0° |
| NAM | CAK | CAJ | H84 | 15.8° | 60.0° |
| NAM | CAK | CAJ | H85 | 104.9° | 60.0° |
| CAK | NAM | H86 | H87 | 180.0° | 180.0° |
| H76 | CFA | CFD | H77 | 63.8° | 174.2° |
| H76 | CFA | CFD | H78 | 56.2° | 65.8° |
| H77 | CFD | OFE | H79 | 60.0° | 60.0° |
| H78 | CFD | OFE | H79 | 59.9° | 60.0° |
| H80 | NAA | CAB | H81 | 59.9° | 40.3° |
| H81 | CAB | CAH | H82 | 68.0° | 175.8° |
| H81 | CAB | CAH | H83 | 51.3° | 64.2° |
| H81 | CAB | CAC | H2 | 63.4° | 39.9° |
| H82 | CAH | CAJ | H84 | 164.9° | 179.9° |
| H82 | CAH | CAJ | H85 | 44.3° | 60.1° |
| H83 | CAH | CAJ | H84 | 75.9° | 60.0° |
| H83 | CAH | CAJ | H85 | 163.5° | 180.0° |
