AD1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | NAM | sing | 1.46Å | 1.47Å | |
| CAG | CAL | sing | 1.54Å | 1.53Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| NAM | CAI | sing | 1.38Å | 1.35Å | |
| CAA | NAM | sing | 1.46Å | 1.49Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAI | CAH | sing | 1.47Å | 1.44Å | |
| CAI | CAF | doub | 1.37Å | 1.44Å | |
| CAF | CAK | sing | 1.40Å | 1.43Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAK | CAJ | sing | 1.50Å | 1.45Å | |
| CAK | OAC | doub | 1.22Å | 1.23Å | |
| CAJ | OAB | doub | 1.21Å | 1.23Å | |
| CAE | CAJ | sing | 1.47Å | 1.43Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | CAE | doub | 1.34Å | 1.43Å | |
| CAL | CAH | sing | 1.51Å | 1.53Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| OAD | CAL | sing | 1.43Å | 1.44Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAM | CAG | CAL | 101.5° | 106.6° |
| NAM | CAG | HAG1 | 112.2° | 110.0° |
| NAM | CAG | HAG2 | 113.9° | 110.1° |
| CAG | NAM | CAI | 111.0° | 111.1° |
| CAG | NAM | CAA | 122.7° | 124.4° |
| CAL | CAG | HAG1 | 112.2° | 110.0° |
| CAL | CAG | HAG2 | 113.9° | 110.0° |
| CAG | CAL | CAH | 101.9° | 104.6° |
| CAG | CAL | HAL | 115.1° | 110.4° |
| CAG | CAL | OAD | 109.5° | 110.4° |
| HAG1 | CAG | HAG2 | 103.5° | 110.1° |
| CAI | NAM | CAA | 126.3° | 124.5° |
| NAM | CAI | CAH | 107.8° | 110.4° |
| NAM | CAI | CAF | 132.1° | 129.0° |
| NAM | CAA | HAA1 | 109.5° | 109.5° |
| NAM | CAA | HAA2 | 109.5° | 109.5° |
| NAM | CAA | HAA3 | 109.4° | 109.5° |
| HAA1 | CAA | HAA2 | 109.4° | 109.4° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| CAH | CAI | CAF | 120.0° | 120.6° |
| CAI | CAH | CAE | 121.5° | 121.7° |
| CAI | CAH | CAL | 107.6° | 107.3° |
| CAI | CAF | CAK | 118.8° | 121.1° |
| CAI | CAF | HAF | 120.6° | 119.4° |
| CAK | CAF | HAF | 120.6° | 119.4° |
| CAF | CAK | CAJ | 120.6° | 118.9° |
| CAF | CAK | OAC | 117.6° | 120.6° |
| CAJ | CAK | OAC | 121.7° | 120.5° |
| CAK | CAJ | OAB | 121.9° | 121.0° |
| CAK | CAJ | CAE | 120.4° | 118.1° |
| OAB | CAJ | CAE | 117.7° | 121.0° |
| CAJ | CAE | HAE | 120.7° | 120.2° |
| CAJ | CAE | CAH | 118.6° | 119.5° |
| HAE | CAE | CAH | 120.7° | 120.3° |
| CAE | CAH | CAL | 130.9° | 130.9° |
| CAH | CAL | HAL | 113.0° | 110.4° |
| CAH | CAL | OAD | 111.6° | 110.5° |
| HAL | CAL | OAD | 105.9° | 110.5° |
| CAL | OAD | HOAD | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAM | CAG | CAL | HAG1 | 120.0° | 119.3° |
| NAM | CAG | CAL | HAG2 | 122.8° | 119.3° |
| NAM | CAG | HAG1 | HAG2 | 123.2° | 121.5° |
| CAG | NAM | CAI | CAA | 179.3° | 180.0° |
| CAG | NAM | CAA | HAA1 | 151.7° | 90.1° |
| CAG | NAM | CAA | HAA2 | 88.3° | 150.0° |
| CAG | NAM | CAA | HAA3 | 31.7° | 29.9° |
| CAG | NAM | CAI | CAH | 20.6° | 0.1° |
| CAG | NAM | CAI | CAF | 159.6° | 180.0° |
| NAM | CAG | CAL | CAH | 28.7° | 0.0° |
| NAM | CAG | CAL | HAL | 93.9° | 118.7° |
| NAM | CAG | CAL | OAD | 147.0° | 118.8° |
| CAL | CAG | HAG1 | HAG2 | 123.2° | 121.4° |
| CAL | CAG | NAM | CAI | 32.0° | 0.0° |
| CAL | CAG | NAM | CAA | 147.4° | 180.0° |
| CAG | CAL | CAH | CAI | 18.7° | 0.1° |
| CAG | CAL | CAH | CAE | 161.3° | 180.0° |
| CAG | CAL | CAH | HAL | 124.0° | 118.7° |
| CAG | CAL | CAH | OAD | 116.7° | 118.8° |
| CAG | CAL | HAL | OAD | 121.1° | 122.4° |
| CAG | CAL | OAD | HOAD | 15.5° | 180.0° |
| HAG1 | CAG | NAM | CAI | 152.0° | 119.3° |
| HAG1 | CAG | NAM | CAA | 27.4° | 60.7° |
| HAG1 | CAG | CAL | CAH | 148.7° | 119.3° |
| HAG1 | CAG | CAL | HAL | 26.1° | 0.6° |
| HAG1 | CAG | CAL | OAD | 93.0° | 121.9° |
| HAG2 | CAG | NAM | CAI | 90.9° | 119.3° |
| HAG2 | CAG | NAM | CAA | 89.8° | 60.7° |
| HAG2 | CAG | CAL | CAH | 94.1° | 119.3° |
| HAG2 | CAG | CAL | HAL | 143.3° | 122.0° |
| HAG2 | CAG | CAL | OAD | 24.2° | 0.5° |
| CAI | NAM | CAA | HAA1 | 27.6° | 90.0° |
| CAI | NAM | CAA | HAA2 | 92.4° | 30.0° |
| CAI | NAM | CAA | HAA3 | 147.6° | 150.0° |
| NAM | CAI | CAH | CAF | 179.9° | 179.9° |
| NAM | CAI | CAF | CAK | 179.9° | 180.0° |
| NAM | CAI | CAF | HAF | 0.2° | 0.1° |
| NAM | CAI | CAH | CAE | 179.9° | 180.0° |
| NAM | CAI | CAH | CAL | 0.2° | 0.1° |
| NAM | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| NAM | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| NAM | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | NAM | CAI | CAH | 158.7° | 180.0° |
| CAA | NAM | CAI | CAF | 21.1° | 0.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAH | CAI | CAF | CAK | 0.0° | 0.1° |
| CAH | CAI | CAF | HAF | 180.0° | 180.0° |
| CAI | CAH | CAE | CAJ | 0.1° | 0.0° |
| CAI | CAH | CAE | HAE | 179.9° | 180.0° |
| CAI | CAH | CAE | CAL | 179.9° | 179.9° |
| CAI | CAH | CAL | HAL | 105.4° | 118.8° |
| CAI | CAH | CAL | OAD | 135.4° | 118.8° |
| CAI | CAF | CAK | HAF | 180.0° | 179.9° |
| CAI | CAF | CAK | CAJ | 0.1° | 0.1° |
| CAI | CAF | CAK | OAC | 179.9° | 180.0° |
| CAF | CAI | CAH | CAE | 0.0° | 0.1° |
| CAF | CAI | CAH | CAL | 180.0° | 180.0° |
| CAF | CAK | CAJ | OAC | 179.8° | 179.9° |
| CAF | CAK | CAJ | OAB | 179.8° | 180.0° |
| CAF | CAK | CAJ | CAE | 0.2° | 0.0° |
| HAF | CAF | CAK | CAJ | 179.9° | 180.0° |
| HAF | CAF | CAK | OAC | 0.1° | 0.1° |
| CAK | CAJ | OAB | CAE | 180.0° | 180.0° |
| CAK | CAJ | CAE | HAE | 179.8° | 180.0° |
| CAK | CAJ | CAE | CAH | 0.2° | 0.0° |
| OAC | CAK | CAJ | OAB | 0.0° | 0.0° |
| OAC | CAK | CAJ | CAE | 180.0° | 180.0° |
| OAB | CAJ | CAE | HAE | 0.2° | 0.0° |
| OAB | CAJ | CAE | CAH | 179.8° | 180.0° |
| CAJ | CAE | HAE | CAH | 180.0° | 180.0° |
| CAJ | CAE | CAH | CAL | 180.0° | 179.9° |
| HAE | CAE | CAH | CAL | 0.0° | 0.0° |
| CAE | CAH | CAL | HAL | 74.7° | 61.3° |
| CAE | CAH | CAL | OAD | 44.6° | 61.2° |
| CAH | CAL | HAL | OAD | 122.5° | 122.5° |
| CAH | CAL | OAD | HOAD | 127.5° | 64.8° |
| HAL | CAL | OAD | HOAD | 109.1° | 57.6° |
