1VB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | SBB | doub | 1.42Å | 1.53Å | |
| CAH | CAN | doub | 1.38Å | 1.43Å | Aromatic |
| CAH | CAG | sing | 1.39Å | 1.38Å | Aromatic |
| CAN | CAZ | sing | 1.39Å | 1.38Å | Aromatic |
| CAG | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| OAE | SBB | doub | 1.42Å | 1.53Å | |
| SBB | NAB | sing | 1.66Å | 1.65Å | |
| SBB | CAV | sing | 1.76Å | 1.83Å | |
| CAZ | CAY | doub | 1.41Å | 1.37Å | Aromatic |
| CAZ | CAX | sing | 1.47Å | 1.41Å | |
| CAM | CAY | sing | 1.40Å | 1.41Å | Aromatic |
| OAD | CAX | doub | 1.22Å | 1.25Å | |
| CAY | NAQ | sing | 1.36Å | 1.39Å | |
| CAX | NAS | sing | 1.35Å | 1.38Å | |
| CAK | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| NAQ | CAW | doub | 1.30Å | 1.35Å | |
| NAS | CAW | sing | 1.36Å | 1.39Å | |
| CAV | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAP | sing | 1.51Å | 1.42Å | |
| CAI | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | CAP | sing | 1.53Å | 1.49Å | |
| CAO | CAT | sing | 1.51Å | 1.52Å | |
| CAL | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | CBA | sing | 1.51Å | 1.42Å | |
| CAT | NAR | sing | 1.35Å | 1.30Å | |
| CAT | OAC | doub | 1.21Å | 1.23Å | |
| NAR | CBA | sing | 1.46Å | 1.47Å | |
| CBA | CAA | sing | 1.53Å | 1.52Å | |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| NAB | H3 | sing | 0.97Å | 1.00Å | |
| NAB | H4 | sing | 0.97Å | 1.00Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAJ | H6 | sing | 1.08Å | 1.08Å | |
| CBA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| NAR | H11 | sing | 0.97Å | 1.00Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAP | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.08Å | 1.08Å | |
| CAG | H17 | sing | 1.08Å | 1.08Å | |
| CAH | H18 | sing | 1.08Å | 1.08Å | |
| CAN | H19 | sing | 1.08Å | 1.08Å | |
| NAS | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | SBB | OAE | 112.7° | 123.2° |
| OAF | SBB | NAB | 111.2° | 106.4° |
| OAF | SBB | CAV | 112.4° | 106.4° |
| CAN | CAH | CAG | 119.6° | 120.6° |
| CAH | CAN | CAZ | 119.6° | 119.5° |
| CAN | CAH | H18 | 120.2° | 119.7° |
| CAH | CAN | H19 | 120.2° | 120.3° |
| CAH | CAG | CAM | 120.1° | 120.8° |
| CAH | CAG | H17 | 119.9° | 119.7° |
| CAG | CAH | H18 | 120.2° | 119.7° |
| CAN | CAZ | CAY | 120.4° | 120.1° |
| CAN | CAZ | CAX | 119.4° | 121.9° |
| CAZ | CAN | H19 | 120.2° | 120.3° |
| CAG | CAM | CAY | 120.3° | 119.7° |
| CAG | CAM | H16 | 119.8° | 120.2° |
| CAM | CAG | H17 | 119.9° | 119.6° |
| OAE | SBB | NAB | 109.1° | 106.4° |
| OAE | SBB | CAV | 103.8° | 106.4° |
| NAB | SBB | CAV | 107.2° | 107.2° |
| SBB | NAB | H3 | 109.5° | 120.0° |
| SBB | NAB | H4 | 109.5° | 120.0° |
| SBB | CAV | CAK | 120.1° | 120.0° |
| SBB | CAV | CAL | 119.5° | 120.0° |
| CAY | CAZ | CAX | 120.1° | 118.0° |
| CAZ | CAY | CAM | 119.9° | 119.3° |
| CAZ | CAY | NAQ | 120.9° | 119.0° |
| CAZ | CAX | OAD | 122.9° | 121.3° |
| CAZ | CAX | NAS | 117.2° | 117.4° |
| CAM | CAY | NAQ | 119.1° | 121.6° |
| CAY | CAM | H16 | 119.9° | 120.2° |
| OAD | CAX | NAS | 119.7° | 121.3° |
| CAY | NAQ | CAW | 119.9° | 121.6° |
| CAX | NAS | CAW | 122.2° | 120.6° |
| CAX | NAS | H20 | 118.9° | 119.7° |
| CAV | CAK | CAI | 119.1° | 120.0° |
| CAK | CAV | CAL | 120.3° | 120.0° |
| CAV | CAK | H2 | 120.4° | 120.0° |
| CAK | CAI | CAU | 121.2° | 120.0° |
| CAK | CAI | H1 | 119.4° | 120.0° |
| CAI | CAK | H2 | 120.4° | 120.0° |
| NAQ | CAW | NAS | 119.8° | 123.4° |
| NAQ | CAW | CAP | 125.4° | 118.3° |
| NAS | CAW | CAP | 114.8° | 118.3° |
| CAW | NAS | H20 | 118.9° | 119.7° |
| CAV | CAL | CAJ | 119.8° | 120.0° |
| CAV | CAL | H5 | 120.1° | 120.0° |
| CAW | CAP | CAO | 113.7° | 109.5° |
| CAW | CAP | H14 | 108.4° | 109.5° |
| CAW | CAP | H15 | 108.4° | 109.4° |
| CAI | CAU | CAJ | 118.8° | 120.0° |
| CAI | CAU | CBA | 120.3° | 120.0° |
| CAU | CAI | H1 | 119.4° | 120.0° |
| CAP | CAO | CAT | 104.2° | 109.4° |
| CAP | CAO | H12 | 110.8° | 109.4° |
| CAP | CAO | H13 | 110.8° | 109.4° |
| CAO | CAP | H14 | 108.4° | 109.5° |
| CAO | CAP | H15 | 108.4° | 109.5° |
| CAO | CAT | NAR | 112.2° | 119.9° |
| CAO | CAT | OAC | 124.3° | 120.0° |
| CAT | CAO | H12 | 110.8° | 109.5° |
| CAT | CAO | H13 | 110.8° | 109.5° |
| CAL | CAJ | CAU | 120.7° | 120.0° |
| CAJ | CAL | H5 | 120.1° | 120.0° |
| CAL | CAJ | H6 | 119.6° | 120.0° |
| CAJ | CAU | CBA | 120.9° | 120.0° |
| CAU | CAJ | H6 | 119.7° | 120.0° |
| CAU | CBA | NAR | 113.1° | 109.4° |
| CAU | CBA | CAA | 110.3° | 109.5° |
| CAU | CBA | H7 | 110.9° | 109.4° |
| NAR | CAT | OAC | 123.5° | 120.0° |
| CAT | NAR | CBA | 121.7° | 119.9° |
| CAT | NAR | H11 | 119.2° | 120.0° |
| NAR | CBA | CAA | 102.3° | 109.5° |
| NAR | CBA | H7 | 110.3° | 109.5° |
| CBA | NAR | H11 | 119.1° | 120.0° |
| CAA | CBA | H7 | 109.5° | 109.5° |
| CBA | CAA | H8 | 109.5° | 109.4° |
| CBA | CAA | H9 | 109.5° | 109.5° |
| CBA | CAA | H10 | 109.5° | 109.5° |
| H3 | NAB | H4 | 109.5° | 120.0° |
| H8 | CAA | H9 | 109.5° | 109.5° |
| H8 | CAA | H10 | 109.5° | 109.5° |
| H9 | CAA | H10 | 109.5° | 109.5° |
| H12 | CAO | H13 | 109.4° | 109.5° |
| H14 | CAP | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | SBB | OAE | NAB | 124.1° | 123.0° |
| OAF | SBB | OAE | CAV | 121.8° | 123.0° |
| OAF | SBB | NAB | CAV | 123.2° | 113.6° |
| OAF | SBB | CAV | CAK | 91.5° | 23.5° |
| OAF | SBB | CAV | CAL | 92.7° | 156.5° |
| OAF | SBB | NAB | H3 | 180.0° | 113.5° |
| OAF | SBB | NAB | H4 | 60.0° | 66.5° |
| CAN | CAH | CAG | H18 | 180.0° | 180.0° |
| CAH | CAN | CAZ | H19 | 180.0° | 180.0° |
| CAN | CAH | CAG | CAM | 0.1° | 0.0° |
| CAH | CAN | CAZ | CAY | 1.2° | 0.0° |
| CAH | CAN | CAZ | CAX | 179.1° | 180.0° |
| CAN | CAH | CAG | H17 | 179.9° | 179.9° |
| CAG | CAH | CAN | CAZ | 1.8° | 0.0° |
| CAH | CAG | CAM | H17 | 180.0° | 179.9° |
| CAH | CAG | CAM | CAY | 2.6° | 0.0° |
| CAH | CAG | CAM | H16 | 177.4° | 180.0° |
| CAG | CAH | CAN | H19 | 178.2° | 180.0° |
| CAN | CAZ | CAY | CAX | 177.8° | 179.9° |
| CAN | CAZ | CAY | CAM | 1.3° | 0.1° |
| CAN | CAZ | CAX | OAD | 2.3° | 0.0° |
| CAN | CAZ | CAY | NAQ | 177.5° | 180.0° |
| CAN | CAZ | CAX | NAS | 177.7° | 179.8° |
| CAZ | CAN | CAH | H18 | 178.2° | 179.9° |
| CAG | CAM | CAY | CAZ | 3.2° | 0.0° |
| CAG | CAM | CAY | H16 | 180.0° | 180.0° |
| CAG | CAM | CAY | NAQ | 179.6° | 180.0° |
| CAM | CAG | CAH | H18 | 179.9° | 180.0° |
| OAE | SBB | NAB | CAV | 111.9° | 113.5° |
| OAE | SBB | CAV | CAK | 30.5° | 156.4° |
| OAE | SBB | CAV | CAL | 145.2° | 23.5° |
| OAE | SBB | NAB | H3 | 55.1° | 113.5° |
| OAE | SBB | NAB | H4 | 65.0° | 66.5° |
| NAB | SBB | CAV | CAK | 146.0° | 90.0° |
| NAB | SBB | CAV | CAL | 29.8° | 90.0° |
| SBB | NAB | H3 | H4 | 120.0° | 180.0° |
| SBB | CAV | CAK | CAL | 175.7° | 180.0° |
| SBB | CAV | CAK | CAI | 177.2° | 180.0° |
| SBB | CAV | CAL | CAJ | 179.4° | 180.0° |
| SBB | CAV | CAK | H2 | 2.8° | 0.0° |
| CAV | SBB | NAB | H3 | 56.8° | 0.0° |
| CAV | SBB | NAB | H4 | 176.8° | 180.0° |
| SBB | CAV | CAL | H5 | 0.6° | 0.0° |
| CAZ | CAY | CAM | NAQ | 176.3° | 180.0° |
| CAY | CAZ | CAX | OAD | 175.6° | 180.0° |
| CAY | CAZ | CAX | NAS | 0.2° | 0.3° |
| CAZ | CAY | NAQ | CAW | 0.3° | 0.0° |
| CAZ | CAY | CAM | H16 | 176.8° | 180.0° |
| CAY | CAZ | CAN | H19 | 178.8° | 180.0° |
| CAX | CAZ | CAY | CAM | 176.6° | 180.0° |
| CAZ | CAX | OAD | NAS | 175.3° | 179.7° |
| CAX | CAZ | CAY | NAQ | 0.3° | 0.0° |
| CAZ | CAX | NAS | CAW | 0.1° | 0.5° |
| CAX | CAZ | CAN | H19 | 0.9° | 0.1° |
| CAZ | CAX | NAS | H20 | 179.9° | 180.0° |
| CAM | CAY | NAQ | CAW | 176.6° | 180.0° |
| CAY | CAM | CAG | H17 | 177.4° | 179.9° |
| OAD | CAX | NAS | CAW | 175.6° | 179.7° |
| OAD | CAX | NAS | H20 | 4.4° | 0.3° |
| CAY | NAQ | CAW | NAS | 0.2° | 0.3° |
| CAY | NAQ | CAW | CAP | 179.1° | 180.0° |
| NAQ | CAY | CAM | H16 | 0.4° | 0.0° |
| CAX | NAS | CAW | NAQ | 0.1° | 0.5° |
| CAX | NAS | CAW | H20 | 180.0° | 179.4° |
| CAX | NAS | CAW | CAP | 179.3° | 179.8° |
| CAV | CAK | CAI | H2 | 180.0° | 180.0° |
| CAV | CAK | CAI | CAU | 1.3° | 0.1° |
| CAK | CAV | CAL | CAJ | 3.6° | 0.0° |
| CAV | CAK | CAI | H1 | 178.7° | 179.7° |
| CAK | CAV | CAL | H5 | 176.3° | 180.0° |
| CAI | CAK | CAV | CAL | 1.4° | 0.0° |
| CAK | CAI | CAU | H1 | 180.0° | 179.8° |
| CAK | CAI | CAU | CAJ | 1.8° | 0.1° |
| CAK | CAI | CAU | CBA | 179.7° | 179.7° |
| NAQ | CAW | NAS | CAP | 179.4° | 179.7° |
| NAQ | CAW | CAP | CAO | 18.5° | 0.0° |
| NAQ | CAW | CAP | H14 | 139.1° | 120.0° |
| NAQ | CAW | CAP | H15 | 102.1° | 120.0° |
| NAQ | CAW | NAS | H20 | 179.9° | 180.0° |
| NAS | CAW | CAP | CAO | 160.9° | 179.7° |
| NAS | CAW | CAP | H14 | 40.3° | 59.7° |
| NAS | CAW | CAP | H15 | 78.5° | 60.3° |
| CAV | CAL | CAJ | H5 | 180.0° | 180.0° |
| CAV | CAL | CAJ | CAU | 3.1° | 0.0° |
| CAL | CAV | CAK | H2 | 178.6° | 180.0° |
| CAV | CAL | CAJ | H6 | 176.9° | 180.0° |
| CAW | CAP | CAO | H14 | 120.6° | 120.0° |
| CAW | CAP | CAO | H15 | 120.6° | 119.9° |
| CAW | CAP | CAO | CAT | 177.8° | 180.0° |
| CAW | CAP | CAO | H12 | 63.0° | 60.0° |
| CAW | CAP | CAO | H13 | 58.6° | 60.0° |
| CAW | CAP | H14 | H15 | 118.1° | 119.9° |
| CAP | CAW | NAS | H20 | 0.7° | 0.3° |
| CAI | CAU | CAJ | CAL | 0.4° | 0.0° |
| CAI | CAU | CAJ | CBA | 177.9° | 179.7° |
| CAI | CAU | CBA | NAR | 50.4° | 140.0° |
| CAI | CAU | CBA | CAA | 63.6° | 99.9° |
| CAU | CAI | CAK | H2 | 178.7° | 180.0° |
| CAI | CAU | CAJ | H6 | 179.6° | 180.0° |
| CAI | CAU | CBA | H7 | 174.9° | 20.0° |
| CAP | CAO | CAT | H12 | 119.2° | 119.9° |
| CAP | CAO | CAT | H13 | 119.2° | 120.0° |
| CAP | CAO | CAT | NAR | 178.8° | 180.0° |
| CAP | CAO | CAT | OAC | 2.6° | 0.0° |
| CAP | CAO | H12 | H13 | 122.4° | 119.9° |
| CAO | CAP | H14 | H15 | 118.1° | 120.0° |
| CAO | CAT | NAR | OAC | 178.5° | 180.0° |
| CAO | CAT | NAR | CBA | 177.8° | 180.0° |
| CAO | CAT | NAR | H11 | 2.2° | 0.0° |
| CAT | CAO | H12 | H13 | 122.4° | 120.1° |
| CAT | CAO | CAP | H14 | 57.2° | 60.0° |
| CAT | CAO | CAP | H15 | 61.6° | 60.0° |
| CAL | CAJ | CAU | H6 | 180.0° | 180.0° |
| CAL | CAJ | CAU | CBA | 177.5° | 179.7° |
| CAJ | CAU | CBA | NAR | 131.7° | 40.3° |
| CAJ | CAU | CBA | CAA | 114.3° | 79.7° |
| CAJ | CAU | CAI | H1 | 178.2° | 179.7° |
| CAU | CAJ | CAL | H5 | 176.8° | 180.0° |
| CAJ | CAU | CBA | H7 | 7.2° | 160.3° |
| CAU | CBA | NAR | CAT | 98.9° | 155.0° |
| CAU | CBA | NAR | CAA | 118.7° | 120.0° |
| CAU | CBA | NAR | H7 | 124.9° | 119.9° |
| CAU | CBA | CAA | H7 | 122.4° | 119.9° |
| CBA | CAU | CAI | H1 | 0.3° | 0.0° |
| CBA | CAU | CAJ | H6 | 2.5° | 0.3° |
| CAU | CBA | CAA | H8 | 180.0° | 180.0° |
| CAU | CBA | CAA | H9 | 60.0° | 60.1° |
| CAU | CBA | CAA | H10 | 60.0° | 60.0° |
| CAU | CBA | NAR | H11 | 81.1° | 25.0° |
| CAT | NAR | CBA | H11 | 180.0° | 180.0° |
| CAT | NAR | CBA | CAA | 142.4° | 85.0° |
| CAT | NAR | CBA | H7 | 26.0° | 35.0° |
| NAR | CAT | CAO | H12 | 59.7° | 60.1° |
| NAR | CAT | CAO | H13 | 62.0° | 60.0° |
| OAC | CAT | NAR | CBA | 3.7° | 0.0° |
| OAC | CAT | NAR | H11 | 176.3° | 180.0° |
| OAC | CAT | CAO | H12 | 121.8° | 119.9° |
| OAC | CAT | CAO | H13 | 116.5° | 120.0° |
| NAR | CBA | CAA | H7 | 117.0° | 120.1° |
| NAR | CBA | CAA | H8 | 59.3° | 60.1° |
| NAR | CBA | CAA | H9 | 60.7° | 59.9° |
| NAR | CBA | CAA | H10 | 179.4° | 180.0° |
| CBA | CAA | H8 | H9 | 120.0° | 120.0° |
| CBA | CAA | H8 | H10 | 120.0° | 120.0° |
| CBA | CAA | H9 | H10 | 120.0° | 120.1° |
| CAA | CBA | NAR | H11 | 37.6° | 95.0° |
| H1 | CAI | CAK | H2 | 1.3° | 0.3° |
| H5 | CAL | CAJ | H6 | 3.2° | 0.0° |
| H7 | CBA | CAA | H8 | 57.6° | 60.0° |
| H7 | CBA | CAA | H9 | 177.6° | NaN° |
| H7 | CBA | CAA | H10 | 62.4° | 60.0° |
| H7 | CBA | NAR | H11 | 154.0° | 145.0° |
| H8 | CAA | H9 | H10 | 120.0° | 120.0° |
| H12 | CAO | CAP | H14 | 176.4° | 180.0° |
| H12 | CAO | CAP | H15 | 57.6° | 59.9° |
| H13 | CAO | CAP | H14 | 62.0° | 60.0° |
| H13 | CAO | CAP | H15 | 179.2° | 179.9° |
| H16 | CAM | CAG | H17 | 2.6° | 0.1° |
| H17 | CAG | CAH | H18 | 0.1° | 0.1° |
| H18 | CAH | CAN | H19 | 1.8° | 0.0° |
