1VD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAM | doub | 1.35Å | 1.36Å | Aromatic |
| CAF | NAQ | sing | 1.34Å | 1.35Å | Aromatic |
| CAM | NBC | sing | 1.37Å | 1.35Å | Aromatic |
| CAE | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.38Å | Aromatic |
| CAL | CBA | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| NAQ | CAN | doub | 1.30Å | 1.34Å | Aromatic |
| OAC | CAY | doub | 1.22Å | 1.24Å | |
| CBA | CAY | sing | 1.47Å | 1.41Å | |
| CBA | CAZ | doub | 1.41Å | 1.38Å | Aromatic |
| NBC | CAN | sing | 1.36Å | 1.35Å | Aromatic |
| NBC | CAW | sing | 1.40Å | 1.33Å | |
| CAK | CAZ | sing | 1.40Å | 1.39Å | Aromatic |
| CAY | NAT | sing | 1.35Å | 1.37Å | |
| CAZ | NAR | sing | 1.36Å | 1.38Å | |
| CAJ | CAW | doub | 1.39Å | 1.42Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAW | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| NAT | CAX | sing | 1.36Å | 1.36Å | |
| NAR | CAX | doub | 1.30Å | 1.34Å | |
| CAH | CAV | doub | 1.38Å | 1.42Å | Aromatic |
| CAX | CAP | sing | 1.51Å | 1.42Å | |
| CAO | CAP | sing | 1.53Å | 1.52Å | |
| CAO | CAU | sing | 1.51Å | 1.56Å | |
| CAI | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAU | NAS | sing | 1.35Å | 1.34Å | |
| CAU | OAB | doub | 1.21Å | 1.23Å | |
| CAV | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CBB | sing | 1.51Å | 1.44Å | |
| NAS | CBB | sing | 1.47Å | 1.48Å | |
| CBB | CAA | sing | 1.53Å | 1.54Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAN | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CBB | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| NAS | H12 | sing | 0.97Å | 1.00Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å | |
| CAK | H17 | sing | 1.08Å | 1.08Å | |
| CAD | H18 | sing | 1.08Å | 1.08Å | |
| CAE | H19 | sing | 1.08Å | 1.08Å | |
| CAL | H20 | sing | 1.08Å | 1.08Å | |
| NAT | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | CAF | NAQ | 107.1° | 108.1° |
| CAF | CAM | NBC | 108.3° | 106.8° |
| CAF | CAM | H1 | 125.9° | 126.5° |
| CAM | CAF | H2 | 126.5° | 126.0° |
| CAF | NAQ | CAN | 108.7° | 109.4° |
| NAQ | CAF | H2 | 126.4° | 125.9° |
| CAM | NBC | CAN | 107.4° | 107.1° |
| CAM | NBC | CAW | 131.2° | 126.5° |
| NBC | CAM | H1 | 125.8° | 126.7° |
| CAL | CAE | CAD | 119.5° | 120.5° |
| CAE | CAL | CBA | 119.3° | 119.5° |
| CAL | CAE | H19 | 120.2° | 119.7° |
| CAE | CAL | H20 | 120.3° | 120.2° |
| CAE | CAD | CAK | 120.6° | 120.9° |
| CAE | CAD | H18 | 119.7° | 119.5° |
| CAD | CAE | H19 | 120.2° | 119.7° |
| CAL | CBA | CAY | 120.9° | 122.0° |
| CAL | CBA | CAZ | 121.4° | 120.1° |
| CBA | CAL | H20 | 120.3° | 120.3° |
| CAD | CAK | CAZ | 119.7° | 119.7° |
| CAD | CAK | H17 | 120.1° | 120.2° |
| CAK | CAD | H18 | 119.7° | 119.6° |
| NAQ | CAN | NBC | 108.5° | 108.6° |
| NAQ | CAN | H3 | 125.8° | 125.7° |
| OAC | CAY | CBA | 124.0° | 121.2° |
| OAC | CAY | NAT | 117.7° | 121.4° |
| CAY | CBA | CAZ | 117.6° | 118.0° |
| CBA | CAY | NAT | 118.3° | 117.4° |
| CBA | CAZ | CAK | 119.3° | 119.3° |
| CBA | CAZ | NAR | 121.0° | 119.0° |
| CAN | NBC | CAW | 121.2° | 126.4° |
| NBC | CAN | H3 | 125.8° | 125.7° |
| NBC | CAW | CAJ | 118.6° | 120.0° |
| NBC | CAW | CAI | 121.3° | 120.1° |
| CAK | CAZ | NAR | 119.5° | 121.7° |
| CAZ | CAK | H17 | 120.1° | 120.1° |
| CAY | NAT | CAX | 123.4° | 120.6° |
| CAY | NAT | H21 | 118.3° | 119.6° |
| CAZ | NAR | CAX | 121.1° | 121.7° |
| CAW | CAJ | CAH | 118.7° | 119.9° |
| CAJ | CAW | CAI | 120.0° | 119.9° |
| CAW | CAJ | H4 | 120.6° | 120.0° |
| CAJ | CAH | CAV | 120.5° | 120.1° |
| CAH | CAJ | H4 | 120.7° | 120.1° |
| CAJ | CAH | H5 | 119.7° | 119.9° |
| CAW | CAI | CAG | 120.2° | 119.9° |
| CAW | CAI | H6 | 119.9° | 120.1° |
| NAT | CAX | NAR | 118.4° | 123.3° |
| NAT | CAX | CAP | 116.0° | 118.3° |
| CAX | NAT | H21 | 118.3° | 119.8° |
| NAR | CAX | CAP | 125.6° | 118.3° |
| CAH | CAV | CAG | 119.4° | 120.2° |
| CAH | CAV | CBB | 120.6° | 119.9° |
| CAV | CAH | H5 | 119.7° | 120.0° |
| CAX | CAP | CAO | 113.4° | 109.5° |
| CAX | CAP | H15 | 108.5° | 109.5° |
| CAX | CAP | H16 | 108.5° | 109.5° |
| CAP | CAO | CAU | 108.1° | 109.5° |
| CAP | CAO | H13 | 109.8° | 109.5° |
| CAP | CAO | H14 | 109.8° | 109.5° |
| CAO | CAP | H15 | 108.5° | 109.5° |
| CAO | CAP | H16 | 108.5° | 109.5° |
| CAO | CAU | NAS | 113.3° | 120.0° |
| CAO | CAU | OAB | 123.2° | 120.0° |
| CAU | CAO | H13 | 109.8° | 109.5° |
| CAU | CAO | H14 | 109.8° | 109.5° |
| CAI | CAG | CAV | 121.1° | 120.0° |
| CAG | CAI | H6 | 119.9° | 120.0° |
| CAI | CAG | H7 | 119.4° | 119.9° |
| NAS | CAU | OAB | 123.4° | 120.0° |
| CAU | NAS | CBB | 123.2° | 120.0° |
| CAU | NAS | H12 | 118.4° | 120.0° |
| CAG | CAV | CBB | 119.9° | 119.9° |
| CAV | CAG | H7 | 119.5° | 120.0° |
| CAV | CBB | NAS | 114.5° | 109.5° |
| CAV | CBB | CAA | 107.5° | 109.5° |
| CAV | CBB | H8 | 110.7° | 109.5° |
| NAS | CBB | CAA | 104.4° | 109.5° |
| NAS | CBB | H8 | 110.1° | 109.4° |
| CBB | NAS | H12 | 118.4° | 120.0° |
| CAA | CBB | H8 | 109.2° | 109.5° |
| CBB | CAA | H9 | 109.5° | 109.4° |
| CBB | CAA | H10 | 109.5° | 109.4° |
| CBB | CAA | H11 | 109.5° | 109.5° |
| H9 | CAA | H10 | 109.5° | 109.5° |
| H9 | CAA | H11 | 109.5° | 109.5° |
| H10 | CAA | H11 | 109.4° | 109.5° |
| H13 | CAO | H14 | 109.5° | 109.5° |
| H15 | CAP | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | CAF | NAQ | H2 | 180.0° | 179.9° |
| CAF | CAM | NBC | H1 | 180.0° | 179.7° |
| CAM | CAF | NAQ | CAN | 1.0° | 0.0° |
| CAF | CAM | NBC | CAN | 1.9° | 0.0° |
| CAF | CAM | NBC | CAW | 175.9° | 179.7° |
| NAQ | CAF | CAM | NBC | 0.6° | 0.0° |
| CAF | NAQ | CAN | NBC | 2.2° | 0.0° |
| NAQ | CAF | CAM | H1 | 179.5° | 179.7° |
| CAF | NAQ | CAN | H3 | 177.7° | 180.0° |
| CAM | NBC | CAN | NAQ | 2.6° | 0.0° |
| CAM | NBC | CAN | CAW | 174.7° | 179.7° |
| CAM | NBC | CAW | CAJ | 41.0° | 0.3° |
| CAM | NBC | CAW | CAI | 142.1° | 180.0° |
| NBC | CAM | CAF | H2 | 179.4° | 179.9° |
| CAM | NBC | CAN | H3 | 177.4° | 180.0° |
| CAL | CAE | CAD | H19 | 180.0° | 180.0° |
| CAE | CAL | CBA | H20 | 180.0° | 179.9° |
| CAL | CAE | CAD | CAK | 0.4° | 0.0° |
| CAE | CAL | CBA | CAY | 179.9° | 180.0° |
| CAE | CAL | CBA | CAZ | 2.7° | 0.0° |
| CAL | CAE | CAD | H18 | 179.6° | 180.0° |
| CAD | CAE | CAL | CBA | 0.3° | 0.0° |
| CAE | CAD | CAK | H18 | 180.0° | 180.0° |
| CAE | CAD | CAK | CAZ | 1.3° | 0.0° |
| CAE | CAD | CAK | H17 | 178.6° | 180.0° |
| CAD | CAE | CAL | H20 | 179.7° | 179.9° |
| CAL | CBA | CAY | OAC | 1.5° | 0.0° |
| CAL | CBA | CAY | CAZ | 177.5° | 180.0° |
| CAL | CBA | CAZ | CAK | 4.4° | 0.0° |
| CAL | CBA | CAY | NAT | 179.9° | 179.8° |
| CAL | CBA | CAZ | NAR | 178.0° | 179.9° |
| CBA | CAL | CAE | H19 | 179.7° | 180.0° |
| CAD | CAK | CAZ | CBA | 3.7° | 0.0° |
| CAD | CAK | CAZ | H17 | 180.0° | 180.0° |
| CAD | CAK | CAZ | NAR | 177.4° | 179.9° |
| CAK | CAD | CAE | H19 | 179.6° | 180.0° |
| NAQ | CAN | NBC | H3 | 180.0° | 179.9° |
| NAQ | CAN | NBC | CAW | 177.3° | 179.7° |
| CAN | NAQ | CAF | H2 | 179.0° | 179.9° |
| OAC | CAY | CBA | NAT | 178.7° | 179.7° |
| OAC | CAY | CBA | CAZ | 179.0° | 180.0° |
| OAC | CAY | NAT | CAX | 179.0° | 179.7° |
| OAC | CAY | NAT | H21 | 1.0° | 0.3° |
| CAY | CBA | CAZ | CAK | 178.1° | 179.9° |
| CAY | CBA | CAZ | NAR | 4.5° | 0.0° |
| CBA | CAY | NAT | CAX | 0.3° | 0.5° |
| CAY | CBA | CAL | H20 | 0.1° | 0.0° |
| CBA | CAY | NAT | H21 | 179.7° | 180.0° |
| CBA | CAZ | CAK | NAR | 173.7° | 179.9° |
| CAZ | CBA | CAY | NAT | 2.4° | 0.3° |
| CBA | CAZ | NAR | CAX | 4.6° | 0.1° |
| CBA | CAZ | CAK | H17 | 176.3° | 180.0° |
| CAZ | CBA | CAL | H20 | 177.3° | 179.9° |
| CAN | NBC | CAW | CAJ | 132.3° | 180.0° |
| CAN | NBC | CAW | CAI | 44.6° | 0.3° |
| CAN | NBC | CAM | H1 | 178.1° | 179.7° |
| NBC | CAW | CAJ | CAI | 176.9° | 179.7° |
| NBC | CAW | CAJ | CAH | 177.2° | 180.0° |
| NBC | CAW | CAI | CAG | 178.0° | 180.0° |
| CAW | NBC | CAM | H1 | 4.1° | 0.0° |
| CAW | NBC | CAN | H3 | 2.7° | 0.3° |
| NBC | CAW | CAJ | H4 | 2.8° | 0.1° |
| NBC | CAW | CAI | H6 | 2.0° | 0.0° |
| CAK | CAZ | NAR | CAX | 178.2° | 180.0° |
| CAZ | CAK | CAD | H18 | 178.7° | 180.0° |
| CAY | NAT | CAX | H21 | 180.0° | 179.5° |
| CAY | NAT | CAX | NAR | 0.2° | 0.5° |
| CAY | NAT | CAX | CAP | 179.6° | 179.8° |
| CAZ | NAR | CAX | NAT | 2.3° | 0.2° |
| CAZ | NAR | CAX | CAP | 178.3° | 179.9° |
| NAR | CAZ | CAK | H17 | 2.6° | 0.1° |
| CAW | CAJ | CAH | H4 | 180.0° | 179.9° |
| CAW | CAJ | CAH | CAV | 0.9° | 0.0° |
| CAJ | CAW | CAI | CAG | 1.2° | 0.3° |
| CAW | CAJ | CAH | H5 | 179.1° | 180.0° |
| CAJ | CAW | CAI | H6 | 178.8° | 179.6° |
| CAH | CAJ | CAW | CAI | 0.3° | 0.3° |
| CAJ | CAH | CAV | H5 | 180.0° | 180.0° |
| CAJ | CAH | CAV | CAG | 1.1° | 0.3° |
| CAJ | CAH | CAV | CBB | 179.3° | 180.0° |
| CAW | CAI | CAG | H6 | 180.0° | 179.9° |
| CAW | CAI | CAG | CAV | 1.0° | 0.0° |
| CAI | CAW | CAJ | H4 | 179.7° | 179.8° |
| CAW | CAI | CAG | H7 | 179.0° | 179.9° |
| NAT | CAX | NAR | CAP | 179.4° | 179.7° |
| NAT | CAX | CAP | CAO | 147.4° | 179.7° |
| NAT | CAX | CAP | H15 | 26.8° | 59.7° |
| NAT | CAX | CAP | H16 | 92.1° | 60.2° |
| NAR | CAX | CAP | CAO | 33.2° | 0.0° |
| NAR | CAX | CAP | H15 | 153.8° | 120.0° |
| NAR | CAX | CAP | H16 | 87.3° | 120.0° |
| NAR | CAX | NAT | H21 | 179.8° | 180.0° |
| CAH | CAV | CAG | CAI | 0.1° | 0.3° |
| CAH | CAV | CAG | CBB | 178.2° | 179.7° |
| CAH | CAV | CBB | NAS | 40.3° | 140.0° |
| CAH | CAV | CBB | CAA | 75.2° | 100.0° |
| CAV | CAH | CAJ | H4 | 179.1° | 179.9° |
| CAH | CAV | CAG | H7 | 179.9° | 179.6° |
| CAH | CAV | CBB | H8 | 165.5° | 20.0° |
| CAX | CAP | CAO | H15 | 120.6° | 120.0° |
| CAX | CAP | CAO | H16 | 120.6° | 120.0° |
| CAX | CAP | CAO | CAU | 177.6° | 180.0° |
| CAX | CAP | CAO | H13 | 62.7° | 60.0° |
| CAX | CAP | CAO | H14 | 57.8° | 60.0° |
| CAX | CAP | H15 | H16 | 118.2° | 120.0° |
| CAP | CAX | NAT | H21 | 0.4° | 0.3° |
| CAP | CAO | CAU | H13 | 119.8° | 120.0° |
| CAP | CAO | CAU | H14 | 119.8° | 120.0° |
| CAP | CAO | CAU | NAS | 160.9° | 180.0° |
| CAP | CAO | CAU | OAB | 18.4° | 0.1° |
| CAP | CAO | H13 | H14 | 120.6° | 120.0° |
| CAO | CAP | H15 | H16 | 118.2° | 120.0° |
| CAO | CAU | NAS | OAB | 179.4° | 179.9° |
| CAO | CAU | NAS | CBB | 176.5° | 180.0° |
| CAO | CAU | NAS | H12 | 3.5° | 0.1° |
| CAU | CAO | H13 | H14 | 120.6° | 120.0° |
| CAU | CAO | CAP | H15 | 57.0° | 60.0° |
| CAU | CAO | CAP | H16 | 61.9° | 59.9° |
| CAI | CAG | CAV | H7 | 180.0° | 179.9° |
| CAI | CAG | CAV | CBB | 178.4° | 180.0° |
| CAU | NAS | CBB | CAV | 100.6° | 155.0° |
| CAU | NAS | CBB | H12 | 180.0° | 179.9° |
| CAU | NAS | CBB | CAA | 142.1° | 85.0° |
| CAU | NAS | CBB | H8 | 24.9° | 35.0° |
| NAS | CAU | CAO | H13 | 41.2° | 60.1° |
| NAS | CAU | CAO | H14 | 79.3° | 60.0° |
| OAB | CAU | NAS | CBB | 2.8° | 0.1° |
| OAB | CAU | NAS | H12 | 177.2° | 180.0° |
| OAB | CAU | CAO | H13 | 138.2° | 120.1° |
| OAB | CAU | CAO | H14 | 101.3° | 119.9° |
| CAG | CAV | CBB | NAS | 141.5° | 39.7° |
| CAG | CAV | CBB | CAA | 103.0° | 80.3° |
| CAG | CAV | CAH | H5 | 178.9° | 179.7° |
| CAV | CAG | CAI | H6 | 179.0° | 179.9° |
| CAG | CAV | CBB | H8 | 16.3° | 159.7° |
| CAV | CBB | NAS | CAA | 117.3° | 120.0° |
| CAV | CBB | NAS | H8 | 125.5° | 120.0° |
| CAV | CBB | CAA | H8 | 120.2° | 120.0° |
| CBB | CAV | CAH | H5 | 0.7° | 0.0° |
| CBB | CAV | CAG | H7 | 1.7° | 0.1° |
| CAV | CBB | CAA | H9 | 180.0° | 180.0° |
| CAV | CBB | CAA | H10 | 60.0° | 60.0° |
| CAV | CBB | CAA | H11 | 60.0° | 60.0° |
| CAV | CBB | NAS | H12 | 79.4° | 25.0° |
| NAS | CBB | CAA | H8 | 117.8° | 120.0° |
| NAS | CBB | CAA | H9 | 57.9° | 60.0° |
| NAS | CBB | CAA | H10 | 62.1° | 60.0° |
| NAS | CBB | CAA | H11 | 178.0° | 180.0° |
| CBB | CAA | H9 | H10 | 120.0° | 120.0° |
| CBB | CAA | H9 | H11 | 120.0° | 120.0° |
| CBB | CAA | H10 | H11 | 120.0° | 120.0° |
| CAA | CBB | NAS | H12 | 37.9° | 95.0° |
| H1 | CAM | CAF | H2 | 0.5° | 0.4° |
| H4 | CAJ | CAH | H5 | 0.9° | 0.0° |
| H6 | CAI | CAG | H7 | 1.0° | 0.0° |
| H8 | CBB | CAA | H9 | 59.8° | 60.0° |
| H8 | CBB | CAA | H10 | 179.8° | 179.9° |
| H8 | CBB | CAA | H11 | 60.2° | 60.0° |
| H8 | CBB | NAS | H12 | 155.1° | 145.0° |
| H9 | CAA | H10 | H11 | 120.0° | 120.0° |
| H13 | CAO | CAP | H15 | 176.8° | 180.0° |
| H13 | CAO | CAP | H16 | 57.9° | 60.0° |
| H14 | CAO | CAP | H15 | 62.8° | 60.0° |
| H14 | CAO | CAP | H16 | 178.4° | 180.0° |
| H17 | CAK | CAD | H18 | 1.4° | 0.0° |
| H18 | CAD | CAE | H19 | 0.4° | 0.0° |
| H19 | CAE | CAL | H20 | 0.2° | 0.1° |
