9LT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAZ | doub | 1.21Å | 1.24Å | |
| OAD | CAY | doub | 1.21Å | 1.23Å | |
| CAA | CAP | sing | 1.53Å | 1.54Å | |
| CAZ | CAY | sing | 1.49Å | 1.39Å | |
| CAZ | NBE | sing | 1.35Å | 1.36Å | |
| CAY | NAS | sing | 1.35Å | 1.39Å | |
| CAP | NBE | sing | 1.46Å | 1.48Å | |
| NBE | CBB | sing | 1.39Å | 1.35Å | |
| NAS | CBA | sing | 1.39Å | 1.39Å | |
| CBB | CBA | doub | 1.40Å | 1.39Å | Aromatic |
| CBB | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CBA | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAK | doub | 1.37Å | 1.40Å | Aromatic |
| CAO | CAV | doub | 1.40Å | 1.39Å | Aromatic |
| CAK | CAV | sing | 1.40Å | 1.40Å | Aromatic |
| CAV | CAT | sing | 1.48Å | 1.41Å | |
| CAT | OAC | doub | 1.22Å | 1.24Å | |
| CAT | NAR | sing | 1.35Å | 1.35Å | |
| NAR | CBC | sing | 1.46Å | 1.48Å | |
| CBC | CAW | sing | 1.51Å | 1.40Å | |
| CBC | CAX | sing | 1.51Å | 1.54Å | |
| CAJ | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAU | FAF | sing | 1.35Å | 1.35Å | |
| CAX | NAQ | doub | 1.30Å | 1.33Å | Aromatic |
| CAX | NBD | sing | 1.35Å | 1.33Å | Aromatic |
| NAQ | CAH | sing | 1.34Å | 1.33Å | Aromatic |
| NBD | CAB | sing | 1.46Å | 1.48Å | |
| NBD | CAM | sing | 1.37Å | 1.33Å | Aromatic |
| CAH | CAM | doub | 1.35Å | 1.34Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAL | H12 | sing | 1.08Å | 1.08Å | |
| CAM | H13 | sing | 1.08Å | 1.08Å | |
| CAN | H14 | sing | 1.08Å | 1.08Å | |
| CAO | H15 | sing | 1.08Å | 1.08Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å | |
| CAP | H17 | sing | 1.09Å | 1.10Å | |
| CBC | H18 | sing | 1.09Å | 1.10Å | |
| NAR | H19 | sing | 0.97Å | 1.00Å | |
| NAS | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAZ | CAY | 118.9° | 120.3° |
| OAE | CAZ | NBE | 121.1° | 120.3° |
| OAD | CAY | CAZ | 120.5° | 120.3° |
| OAD | CAY | NAS | 119.1° | 120.4° |
| CAA | CAP | NBE | 109.2° | 109.5° |
| CAP | CAA | H1 | 109.5° | 109.5° |
| CAP | CAA | H2 | 109.4° | 109.5° |
| CAP | CAA | H3 | 109.5° | 109.5° |
| CAA | CAP | H16 | 109.5° | 109.5° |
| CAA | CAP | H17 | 109.6° | 109.4° |
| CAY | CAZ | NBE | 120.0° | 119.4° |
| CAZ | CAY | NAS | 120.4° | 119.3° |
| CAZ | NBE | CAP | 119.8° | 119.9° |
| CAZ | NBE | CBB | 121.0° | 120.2° |
| CAY | NAS | CBA | 118.3° | 120.1° |
| CAY | NAS | H20 | 120.8° | 119.9° |
| CAP | NBE | CBB | 119.2° | 119.9° |
| NBE | CAP | H16 | 109.6° | 109.5° |
| NBE | CAP | H17 | 109.6° | 109.5° |
| NBE | CBB | CBA | 120.1° | 120.5° |
| NBE | CBB | CAL | 121.4° | 119.5° |
| NAS | CBA | CBB | 120.2° | 120.6° |
| NAS | CBA | CAO | 119.0° | 119.6° |
| CBA | NAS | H20 | 120.8° | 120.0° |
| CBA | CBB | CAL | 118.5° | 119.9° |
| CBB | CBA | CAO | 120.8° | 119.8° |
| CBB | CAL | CAK | 120.4° | 120.3° |
| CBB | CAL | H12 | 119.8° | 119.9° |
| CBA | CAO | CAV | 121.4° | 120.0° |
| CBA | CAO | H15 | 119.3° | 120.0° |
| CAL | CAK | CAV | 120.5° | 120.1° |
| CAL | CAK | H11 | 119.7° | 120.0° |
| CAK | CAL | H12 | 119.8° | 119.9° |
| CAO | CAV | CAK | 118.4° | 119.9° |
| CAO | CAV | CAT | 117.5° | 120.0° |
| CAV | CAO | H15 | 119.3° | 120.0° |
| CAK | CAV | CAT | 124.1° | 120.1° |
| CAV | CAK | H11 | 119.7° | 119.9° |
| CAV | CAT | OAC | 121.8° | 120.0° |
| CAV | CAT | NAR | 116.3° | 120.0° |
| OAC | CAT | NAR | 121.6° | 120.0° |
| CAT | NAR | CBC | 121.4° | 120.0° |
| CAT | NAR | H19 | 119.3° | 120.0° |
| NAR | CBC | CAW | 110.9° | 109.5° |
| NAR | CBC | CAX | 113.9° | 109.5° |
| NAR | CBC | H18 | 107.4° | 109.5° |
| CBC | NAR | H19 | 119.3° | 120.0° |
| CAW | CBC | CAX | 109.1° | 109.5° |
| CBC | CAW | CAJ | 120.4° | 120.0° |
| CBC | CAW | CAN | 119.7° | 120.0° |
| CAW | CBC | H18 | 108.6° | 109.5° |
| CBC | CAX | NAQ | 126.2° | 125.7° |
| CBC | CAX | NBD | 123.9° | 125.6° |
| CAX | CBC | H18 | 106.8° | 109.5° |
| CAW | CAJ | CAG | 120.1° | 120.0° |
| CAJ | CAW | CAN | 120.0° | 120.0° |
| CAW | CAJ | H10 | 119.9° | 120.0° |
| CAJ | CAG | CAI | 119.9° | 120.1° |
| CAJ | CAG | H7 | 120.0° | 120.0° |
| CAG | CAJ | H10 | 120.0° | 120.0° |
| CAW | CAN | CAU | 119.8° | 120.0° |
| CAW | CAN | H14 | 120.1° | 120.0° |
| CAG | CAI | CAU | 119.9° | 119.9° |
| CAI | CAG | H7 | 120.1° | 120.0° |
| CAG | CAI | H9 | 120.1° | 120.1° |
| CAN | CAU | CAI | 120.3° | 120.0° |
| CAN | CAU | FAF | 119.4° | 120.0° |
| CAU | CAN | H14 | 120.1° | 120.0° |
| CAI | CAU | FAF | 120.3° | 120.0° |
| CAU | CAI | H9 | 120.1° | 120.0° |
| NAQ | CAX | NBD | 109.9° | 108.7° |
| CAX | NAQ | CAH | 106.5° | 109.3° |
| CAX | NBD | CAB | 126.2° | 126.4° |
| CAX | NBD | CAM | 106.9° | 107.2° |
| NAQ | CAH | CAM | 108.7° | 108.0° |
| NAQ | CAH | H8 | 125.6° | 126.0° |
| CAB | NBD | CAM | 126.9° | 126.4° |
| NBD | CAB | H4 | 109.5° | 109.5° |
| NBD | CAB | H5 | 109.5° | 109.5° |
| NBD | CAB | H6 | 109.5° | 109.5° |
| NBD | CAM | CAH | 108.0° | 106.8° |
| NBD | CAM | H13 | 126.0° | 126.6° |
| CAM | CAH | H8 | 125.7° | 126.0° |
| CAH | CAM | H13 | 126.0° | 126.6° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAB | H5 | 109.5° | 109.4° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H16 | CAP | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAZ | CAY | OAD | 0.1° | 0.5° |
| OAE | CAZ | CAY | NBE | 179.6° | 180.0° |
| OAE | CAZ | CAY | NAS | 179.8° | 179.6° |
| OAE | CAZ | NBE | CAP | 0.8° | 0.0° |
| OAE | CAZ | NBE | CBB | 179.8° | 179.9° |
| OAD | CAY | CAZ | NAS | 179.9° | 179.1° |
| OAD | CAY | CAZ | NBE | 179.5° | 179.5° |
| OAD | CAY | NAS | CBA | 179.4° | 180.0° |
| OAD | CAY | NAS | H20 | 0.6° | 0.9° |
| CAA | CAP | NBE | CAZ | 88.0° | 90.0° |
| CAA | CAP | NBE | H16 | 119.9° | 120.0° |
| CAA | CAP | NBE | H17 | 120.0° | 120.0° |
| CAA | CAP | NBE | CBB | 90.9° | 90.0° |
| CAP | CAA | H1 | H2 | 120.0° | 120.0° |
| CAP | CAA | H1 | H3 | 120.0° | 120.0° |
| CAP | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAP | H16 | H17 | 120.1° | 120.0° |
| CAY | CAZ | NBE | CAP | 178.8° | 180.0° |
| CAY | CAZ | NBE | CBB | 0.2° | 0.1° |
| CAZ | CAY | NAS | CBA | 0.7° | 0.9° |
| CAZ | CAY | NAS | H20 | 179.3° | 179.9° |
| NBE | CAZ | CAY | NAS | 0.6° | 0.4° |
| CAZ | NBE | CAP | CBB | 178.9° | 179.9° |
| CAZ | NBE | CBB | CBA | 0.2° | 0.1° |
| CAZ | NBE | CBB | CAL | 179.9° | 179.8° |
| CAZ | NBE | CAP | H16 | 31.9° | 30.0° |
| CAZ | NBE | CAP | H17 | 152.0° | 150.0° |
| CAY | NAS | CBA | H20 | 180.0° | 179.1° |
| CAY | NAS | CBA | CBB | 0.3° | 0.9° |
| CAY | NAS | CBA | CAO | 179.7° | 179.5° |
| CAP | NBE | CBB | CBA | 179.1° | 180.0° |
| CAP | NBE | CBB | CAL | 1.2° | 0.2° |
| NBE | CAP | CAA | H1 | 180.0° | 180.0° |
| NBE | CAP | CAA | H2 | 60.0° | 60.0° |
| NBE | CAP | CAA | H3 | 60.0° | 60.0° |
| NBE | CAP | H16 | H17 | 120.2° | 120.0° |
| NBE | CBB | CBA | NAS | 0.1° | 0.4° |
| NBE | CBB | CBA | CAL | 179.7° | 179.8° |
| NBE | CBB | CBA | CAO | 179.9° | 180.0° |
| NBE | CBB | CAL | CAK | 179.8° | 179.8° |
| NBE | CBB | CAL | H12 | 0.2° | 0.2° |
| CBB | NBE | CAP | H16 | 149.2° | 149.9° |
| CBB | NBE | CAP | H17 | 29.1° | 29.9° |
| NAS | CBA | CBB | CAO | 179.9° | 179.5° |
| NAS | CBA | CBB | CAL | 179.8° | 179.8° |
| NAS | CBA | CAO | CAV | 179.5° | 180.0° |
| NAS | CBA | CAO | H15 | 0.5° | 0.5° |
| CBA | CBB | CAL | CAK | 0.5° | 0.0° |
| CBB | CBA | CAO | CAV | 0.4° | 0.5° |
| CBA | CBB | CAL | H12 | 179.5° | 180.0° |
| CBB | CBA | CAO | H15 | 179.6° | 180.0° |
| CBB | CBA | NAS | H20 | 179.6° | 179.9° |
| CAL | CBB | CBA | CAO | 0.1° | 0.2° |
| CBB | CAL | CAK | H12 | 180.0° | 180.0° |
| CBB | CAL | CAK | CAV | 1.1° | 0.0° |
| CBB | CAL | CAK | H11 | 178.9° | 179.7° |
| CBA | CAO | CAV | H15 | 180.0° | 179.5° |
| CBA | CAO | CAV | CAK | 1.0° | 0.5° |
| CBA | CAO | CAV | CAT | 178.9° | 179.5° |
| CAO | CBA | NAS | H20 | 0.3° | 0.4° |
| CAL | CAK | CAV | CAO | 1.4° | 0.2° |
| CAL | CAK | CAV | H11 | 180.0° | 179.8° |
| CAL | CAK | CAV | CAT | 179.1° | 179.7° |
| CAO | CAV | CAK | CAT | 177.8° | 180.0° |
| CAO | CAV | CAT | OAC | 24.4° | 0.0° |
| CAO | CAV | CAT | NAR | 149.3° | 180.0° |
| CAO | CAV | CAK | H11 | 178.6° | 180.0° |
| CAK | CAV | CAT | OAC | 157.8° | 180.0° |
| CAK | CAV | CAT | NAR | 28.5° | 0.0° |
| CAV | CAK | CAL | H12 | 178.9° | 180.0° |
| CAK | CAV | CAO | H15 | 179.0° | 180.0° |
| CAV | CAT | OAC | NAR | 173.3° | 180.0° |
| CAV | CAT | NAR | CBC | 175.2° | 180.0° |
| CAT | CAV | CAK | H11 | 0.9° | 0.0° |
| CAT | CAV | CAO | H15 | 1.1° | 0.0° |
| CAV | CAT | NAR | H19 | 4.8° | 0.0° |
| OAC | CAT | NAR | CBC | 1.5° | 0.0° |
| OAC | CAT | NAR | H19 | 178.5° | 180.0° |
| CAT | NAR | CBC | H19 | 180.0° | 180.0° |
| CAT | NAR | CBC | CAW | 167.9° | 155.0° |
| CAT | NAR | CBC | CAX | 68.6° | 85.0° |
| CAT | NAR | CBC | H18 | 49.4° | 35.0° |
| NAR | CBC | CAW | CAX | 126.2° | 120.0° |
| NAR | CBC | CAW | H18 | 117.8° | 120.0° |
| NAR | CBC | CAX | H18 | 118.4° | 120.0° |
| NAR | CBC | CAW | CAJ | 111.4° | 140.0° |
| NAR | CBC | CAW | CAN | 69.2° | 39.5° |
| NAR | CBC | CAX | NAQ | 30.0° | 45.0° |
| NAR | CBC | CAX | NBD | 150.6° | 134.6° |
| CAW | CBC | CAX | H18 | 117.2° | 120.0° |
| CBC | CAW | CAJ | CAN | 179.4° | 179.6° |
| CBC | CAW | CAJ | CAG | 179.7° | 180.0° |
| CBC | CAW | CAN | CAU | 179.4° | 179.7° |
| CAW | CBC | CAX | NAQ | 94.5° | 75.0° |
| CAW | CBC | CAX | NBD | 84.9° | 105.3° |
| CBC | CAW | CAJ | H10 | 0.2° | 0.1° |
| CBC | CAW | CAN | H14 | 0.6° | 0.2° |
| CAW | CBC | NAR | H19 | 12.1° | 25.0° |
| CAX | CBC | CAW | CAJ | 122.4° | 100.0° |
| CAX | CBC | CAW | CAN | 57.0° | 80.5° |
| CBC | CAX | NAQ | NBD | 179.5° | 179.7° |
| CBC | CAX | NAQ | CAH | 179.7° | 180.0° |
| CBC | CAX | NBD | CAB | 0.1° | 0.3° |
| CBC | CAX | NBD | CAM | 179.6° | 179.9° |
| CAX | CBC | NAR | H19 | 111.4° | 95.0° |
| CAW | CAJ | CAG | H10 | 180.0° | 180.0° |
| CAW | CAJ | CAG | CAI | 0.2° | 0.1° |
| CAJ | CAW | CAN | CAU | 0.1° | 0.7° |
| CAW | CAJ | CAG | H7 | 179.8° | 179.7° |
| CAJ | CAW | CAN | H14 | 179.9° | 179.8° |
| CAJ | CAW | CBC | H18 | 6.3° | 20.0° |
| CAG | CAJ | CAW | CAN | 0.4° | 0.5° |
| CAJ | CAG | CAI | H7 | 180.0° | 179.8° |
| CAJ | CAG | CAI | CAU | 0.2° | 0.1° |
| CAJ | CAG | CAI | H9 | 179.8° | 179.8° |
| CAW | CAN | CAU | H14 | 180.0° | 179.5° |
| CAW | CAN | CAU | CAI | 0.4° | 0.5° |
| CAW | CAN | CAU | FAF | 179.9° | 179.6° |
| CAN | CAW | CAJ | H10 | 179.6° | 179.5° |
| CAN | CAW | CBC | H18 | 173.0° | 159.5° |
| CAG | CAI | CAU | CAN | 0.5° | 0.1° |
| CAG | CAI | CAU | H9 | 180.0° | 180.0° |
| CAG | CAI | CAU | FAF | 179.9° | 180.0° |
| CAI | CAG | CAJ | H10 | 179.8° | 179.9° |
| CAN | CAU | CAI | FAF | 179.5° | 179.9° |
| CAN | CAU | CAI | H9 | 179.5° | 179.9° |
| CAU | CAI | CAG | H7 | 179.8° | 179.9° |
| CAI | CAU | CAN | H14 | 179.6° | 180.0° |
| FAF | CAU | CAI | H9 | 0.1° | 0.0° |
| FAF | CAU | CAN | H14 | 0.1° | 0.0° |
| NAQ | CAX | NBD | CAB | 179.6° | 180.0° |
| NAQ | CAX | NBD | CAM | 0.1° | 0.4° |
| CAX | NAQ | CAH | CAM | 0.3° | 0.0° |
| CAX | NAQ | CAH | H8 | 179.7° | 179.7° |
| NAQ | CAX | CBC | H18 | 148.4° | 165.0° |
| NBD | CAX | NAQ | CAH | 0.2° | 0.3° |
| CAX | NBD | CAB | CAM | 179.6° | 179.5° |
| CAX | NBD | CAM | CAH | 0.1° | 0.4° |
| CAX | NBD | CAB | H4 | 180.0° | 90.1° |
| CAX | NBD | CAB | H5 | 60.0° | 150.0° |
| CAX | NBD | CAB | H6 | 60.0° | 30.0° |
| CAX | NBD | CAM | H13 | 179.9° | 179.6° |
| NBD | CAX | CBC | H18 | 32.2° | 14.6° |
| NAQ | CAH | CAM | NBD | 0.2° | 0.3° |
| NAQ | CAH | CAM | H8 | 180.0° | 179.8° |
| NAQ | CAH | CAM | H13 | 179.8° | 179.7° |
| CAB | NBD | CAM | CAH | 179.8° | 180.0° |
| NBD | CAB | H4 | H5 | 120.0° | 120.0° |
| NBD | CAB | H4 | H6 | 120.0° | 120.0° |
| NBD | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | NBD | CAM | H13 | 0.2° | 0.0° |
| NBD | CAM | CAH | H13 | 180.0° | 180.0° |
| CAM | NBD | CAB | H4 | 0.4° | 90.4° |
| CAM | NBD | CAB | H5 | 119.6° | 29.6° |
| CAM | NBD | CAB | H6 | 120.4° | 149.5° |
| NBD | CAM | CAH | H8 | 179.8° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAP | H16 | 60.1° | 60.0° |
| H1 | CAA | CAP | H17 | 60.0° | 60.0° |
| H2 | CAA | CAP | H16 | 59.9° | 60.1° |
| H2 | CAA | CAP | H17 | 180.0° | 180.0° |
| H3 | CAA | CAP | H16 | 180.0° | 180.0° |
| H3 | CAA | CAP | H17 | 59.9° | 60.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAG | CAI | H9 | 0.2° | 0.0° |
| H7 | CAG | CAJ | H10 | 0.2° | 0.3° |
| H8 | CAH | CAM | H13 | 0.2° | 0.0° |
| H11 | CAK | CAL | H12 | 1.1° | 0.2° |
| H18 | CBC | NAR | H19 | 130.6° | 145.0° |
