9LN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAY | doub | 1.21Å | 1.23Å | |
| OAD | CAX | doub | 1.21Å | 1.24Å | |
| CAY | CAX | sing | 1.49Å | 1.39Å | |
| CAY | NBD | sing | 1.35Å | 1.36Å | |
| CAX | NAS | sing | 1.35Å | 1.38Å | |
| CAA | CAP | sing | 1.53Å | 1.53Å | |
| CAP | NBD | sing | 1.46Å | 1.49Å | |
| NBD | CBA | sing | 1.39Å | 1.36Å | |
| NAS | CAZ | sing | 1.39Å | 1.39Å | |
| CBA | CAZ | doub | 1.40Å | 1.39Å | Aromatic |
| CBA | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAZ | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAK | doub | 1.37Å | 1.41Å | Aromatic |
| CAN | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAV | sing | 1.40Å | 1.40Å | Aromatic |
| CAV | CAT | sing | 1.48Å | 1.42Å | |
| CAT | OAC | doub | 1.22Å | 1.23Å | |
| CAT | NBB | sing | 1.35Å | 1.38Å | |
| CAB | NBB | sing | 1.46Å | 1.49Å | |
| NBB | CAQ | sing | 1.46Å | 1.47Å | |
| CAQ | CAU | sing | 1.51Å | 1.53Å | |
| CAU | CAO | doub | 1.35Å | 1.32Å | Aromatic |
| CAU | CAM | sing | 1.40Å | 1.32Å | Aromatic |
| CAO | NBC | sing | 1.35Å | 1.33Å | Aromatic |
| CAM | NAR | doub | 1.31Å | 1.33Å | Aromatic |
| NBC | NAR | sing | 1.40Å | 1.25Å | Aromatic |
| NBC | CAW | sing | 1.40Å | 1.33Å | |
| CAI | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | 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 | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAI | H10 | sing | 1.08Å | 1.08Å | |
| CAJ | H11 | sing | 1.08Å | 1.08Å | |
| CAK | H12 | sing | 1.08Å | 1.08Å | |
| CAL | H13 | sing | 1.08Å | 1.08Å | |
| CAM | H14 | sing | 1.08Å | 1.08Å | |
| CAN | H15 | sing | 1.08Å | 1.08Å | |
| CAO | H16 | sing | 1.08Å | 1.08Å | |
| CAP | H17 | sing | 1.09Å | 1.10Å | |
| CAP | H18 | sing | 1.09Å | 1.10Å | |
| CAQ | H19 | sing | 1.09Å | 1.10Å | |
| CAQ | H20 | sing | 1.09Å | 1.10Å | |
| NAS | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAY | CAX | 119.8° | 120.3° |
| OAE | CAY | NBD | 119.1° | 120.3° |
| OAD | CAX | CAY | 122.1° | 120.4° |
| OAD | CAX | NAS | 119.0° | 120.4° |
| CAX | CAY | NBD | 121.1° | 119.4° |
| CAY | CAX | NAS | 118.9° | 119.3° |
| CAY | NBD | CAP | 118.5° | 119.9° |
| CAY | NBD | CBA | 120.7° | 120.2° |
| CAX | NAS | CAZ | 119.6° | 120.1° |
| CAX | NAS | H21 | 120.2° | 119.9° |
| CAA | CAP | NBD | 113.4° | 109.5° |
| CAP | CAA | H1 | 109.5° | 109.5° |
| CAP | CAA | H2 | 109.5° | 109.4° |
| CAP | CAA | H3 | 109.4° | 109.5° |
| CAA | CAP | H17 | 108.5° | 109.5° |
| CAA | CAP | H18 | 108.5° | 109.4° |
| CAP | NBD | CBA | 120.8° | 119.9° |
| NBD | CAP | H17 | 108.5° | 109.5° |
| NBD | CAP | H18 | 108.5° | 109.5° |
| NBD | CBA | CAZ | 119.5° | 120.6° |
| NBD | CBA | CAL | 122.5° | 119.5° |
| NAS | CAZ | CBA | 120.2° | 120.6° |
| NAS | CAZ | CAN | 118.6° | 119.5° |
| CAZ | NAS | H21 | 120.2° | 120.0° |
| CAZ | CBA | CAL | 118.0° | 119.9° |
| CBA | CAZ | CAN | 121.1° | 119.9° |
| CBA | CAL | CAK | 120.3° | 120.3° |
| CBA | CAL | H13 | 119.9° | 119.8° |
| CAZ | CAN | CAV | 121.9° | 119.9° |
| CAZ | CAN | H15 | 119.1° | 120.0° |
| CAL | CAK | CAV | 121.5° | 120.1° |
| CAL | CAK | H12 | 119.2° | 119.9° |
| CAK | CAL | H13 | 119.8° | 119.9° |
| CAN | CAV | CAK | 117.1° | 119.9° |
| CAN | CAV | CAT | 122.6° | 120.0° |
| CAV | CAN | H15 | 119.0° | 120.0° |
| CAK | CAV | CAT | 120.3° | 120.1° |
| CAV | CAK | H12 | 119.3° | 120.0° |
| CAV | CAT | OAC | 118.5° | 120.0° |
| CAV | CAT | NBB | 121.5° | 120.0° |
| OAC | CAT | NBB | 120.0° | 120.0° |
| CAT | NBB | CAB | 123.1° | 120.0° |
| CAT | NBB | CAQ | 119.3° | 120.0° |
| CAB | NBB | CAQ | 117.6° | 120.0° |
| NBB | CAB | H4 | 109.5° | 109.5° |
| NBB | CAB | H5 | 109.4° | 109.5° |
| NBB | CAB | H6 | 109.5° | 109.5° |
| NBB | CAQ | CAU | 109.2° | 109.5° |
| NBB | CAQ | H19 | 109.5° | 109.5° |
| NBB | CAQ | H20 | 109.5° | 109.5° |
| CAQ | CAU | CAO | 125.2° | 126.0° |
| CAQ | CAU | CAM | 125.9° | 126.1° |
| CAU | CAQ | H19 | 109.5° | 109.4° |
| CAU | CAQ | H20 | 109.5° | 109.5° |
| CAO | CAU | CAM | 109.0° | 107.9° |
| CAU | CAO | NBC | 105.6° | 107.8° |
| CAU | CAO | H16 | 127.2° | 126.1° |
| CAU | CAM | NAR | 105.7° | 108.2° |
| CAU | CAM | H14 | 127.1° | 125.9° |
| CAO | NBC | NAR | 110.0° | 107.9° |
| CAO | NBC | CAW | 123.8° | 126.1° |
| NBC | CAO | H16 | 127.2° | 126.1° |
| CAM | NAR | NBC | 109.7° | 108.3° |
| NAR | CAM | H14 | 127.2° | 125.9° |
| NAR | NBC | CAW | 126.1° | 126.1° |
| NBC | CAW | CAI | 119.8° | 120.0° |
| NBC | CAW | CAJ | 119.9° | 120.1° |
| CAW | CAI | CAG | 119.9° | 119.9° |
| CAI | CAW | CAJ | 120.4° | 119.9° |
| CAW | CAI | H10 | 120.1° | 120.0° |
| CAI | CAG | CAF | 119.8° | 120.1° |
| CAI | CAG | H8 | 120.1° | 120.0° |
| CAG | CAI | H10 | 120.0° | 120.1° |
| CAW | CAJ | CAH | 119.7° | 119.9° |
| CAW | CAJ | H11 | 120.2° | 120.0° |
| CAG | CAF | CAH | 120.2° | 120.1° |
| CAG | CAF | H7 | 119.9° | 120.0° |
| CAF | CAG | H8 | 120.1° | 119.9° |
| CAJ | CAH | CAF | 120.0° | 120.1° |
| CAJ | CAH | H9 | 120.0° | 120.0° |
| CAH | CAJ | H11 | 120.1° | 120.1° |
| CAH | CAF | H7 | 119.9° | 119.9° |
| CAF | CAH | H9 | 120.0° | 120.0° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.4° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.4° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H17 | CAP | H18 | 109.5° | 109.5° |
| H19 | CAQ | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAY | CAX | OAD | 0.4° | 0.5° |
| OAE | CAY | CAX | NBD | 179.8° | 180.0° |
| OAE | CAY | CAX | NAS | 179.6° | 179.5° |
| OAE | CAY | NBD | CAP | 0.6° | 0.0° |
| OAE | CAY | NBD | CBA | 179.0° | 179.9° |
| OAD | CAX | CAY | NAS | 179.3° | 179.0° |
| OAD | CAX | CAY | NBD | 179.4° | 179.5° |
| OAD | CAX | NAS | CAZ | 178.7° | 179.9° |
| OAD | CAX | NAS | H21 | 1.3° | 1.1° |
| CAX | CAY | NBD | CAP | 179.2° | 180.0° |
| CAX | CAY | NBD | CBA | 0.8° | 0.1° |
| CAY | CAX | NAS | CAZ | 0.6° | 1.1° |
| CAY | CAX | NAS | H21 | 179.5° | 179.9° |
| NBD | CAY | CAX | NAS | 0.2° | 0.5° |
| CAY | NBD | CAP | CAA | 93.8° | 90.0° |
| CAY | NBD | CAP | CBA | 178.4° | 179.9° |
| CAY | NBD | CBA | CAZ | 0.6° | 0.1° |
| CAY | NBD | CBA | CAL | 179.9° | 179.8° |
| CAY | NBD | CAP | H17 | 145.6° | 30.0° |
| CAY | NBD | CAP | H18 | 26.7° | 150.0° |
| CAX | NAS | CAZ | H21 | 180.0° | 178.9° |
| CAX | NAS | CAZ | CBA | 0.7° | 1.1° |
| CAX | NAS | CAZ | CAN | 179.1° | 179.5° |
| CAA | CAP | NBD | H17 | 120.6° | 120.0° |
| CAA | CAP | NBD | H18 | 120.6° | 120.0° |
| CAA | CAP | NBD | CBA | 87.7° | 90.0° |
| CAP | CAA | H1 | H2 | 120.0° | 120.0° |
| CAP | CAA | H1 | H3 | 120.0° | 120.1° |
| CAP | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAP | H17 | H18 | 118.2° | 119.9° |
| CAP | NBD | CBA | CAZ | 179.0° | 180.0° |
| CAP | NBD | CBA | CAL | 1.5° | 0.1° |
| NBD | CAP | CAA | H1 | 180.0° | 180.0° |
| NBD | CAP | CAA | H2 | 60.0° | 60.0° |
| NBD | CAP | CAA | H3 | 60.0° | 59.9° |
| NBD | CAP | H17 | H18 | 118.2° | 120.0° |
| NBD | CBA | CAZ | NAS | 0.1° | 0.5° |
| NBD | CBA | CAZ | CAL | 179.5° | 179.8° |
| NBD | CBA | CAZ | CAN | 178.5° | 180.0° |
| NBD | CBA | CAL | CAK | 179.3° | 179.8° |
| NBD | CBA | CAL | H13 | 0.8° | 0.2° |
| CBA | NBD | CAP | H17 | 32.8° | 149.9° |
| CBA | NBD | CAP | H18 | 151.7° | 29.9° |
| NAS | CAZ | CBA | CAN | 178.4° | 179.5° |
| NAS | CAZ | CBA | CAL | 179.4° | 179.7° |
| NAS | CAZ | CAN | CAV | 179.0° | 180.0° |
| NAS | CAZ | CAN | H15 | 1.0° | 0.5° |
| CAZ | CBA | CAL | CAK | 0.3° | 0.0° |
| CBA | CAZ | CAN | CAV | 2.6° | 0.5° |
| CAZ | CBA | CAL | H13 | 179.7° | 180.0° |
| CBA | CAZ | CAN | H15 | 177.4° | 180.0° |
| CBA | CAZ | NAS | H21 | 179.3° | 179.9° |
| CAL | CBA | CAZ | CAN | 1.0° | 0.2° |
| CBA | CAL | CAK | H13 | 180.0° | 180.0° |
| CBA | CAL | CAK | CAV | 1.0° | 0.0° |
| CBA | CAL | CAK | H12 | 179.0° | 179.7° |
| CAZ | CAN | CAV | H15 | 180.0° | 179.5° |
| CAZ | CAN | CAV | CAK | 3.2° | 0.5° |
| CAZ | CAN | CAV | CAT | 179.5° | 179.5° |
| CAN | CAZ | NAS | H21 | 0.9° | 0.6° |
| CAL | CAK | CAV | CAN | 2.4° | 0.3° |
| CAL | CAK | CAV | H12 | 180.0° | 179.7° |
| CAL | CAK | CAV | CAT | 179.8° | 179.7° |
| CAN | CAV | CAK | CAT | 177.4° | 180.0° |
| CAN | CAV | CAT | OAC | 123.3° | 138.3° |
| CAN | CAV | CAT | NBB | 58.8° | 41.7° |
| CAN | CAV | CAK | H12 | 177.6° | 180.0° |
| CAK | CAV | CAT | OAC | 53.9° | 41.7° |
| CAK | CAV | CAT | NBB | 124.0° | 138.3° |
| CAV | CAK | CAL | H13 | 179.0° | 180.0° |
| CAK | CAV | CAN | H15 | 176.8° | 180.0° |
| CAV | CAT | OAC | NBB | 178.0° | 180.0° |
| CAV | CAT | NBB | CAB | 0.5° | 4.2° |
| CAV | CAT | NBB | CAQ | 179.6° | 175.8° |
| CAT | CAV | CAK | H12 | 0.2° | 0.0° |
| CAT | CAV | CAN | H15 | 0.5° | 0.0° |
| OAC | CAT | NBB | CAB | 178.4° | 175.7° |
| OAC | CAT | NBB | CAQ | 1.7° | 4.2° |
| CAT | NBB | CAB | CAQ | 179.9° | 180.0° |
| CAT | NBB | CAQ | CAU | 96.0° | 90.0° |
| CAT | NBB | CAB | H4 | 180.0° | 84.8° |
| CAT | NBB | CAB | H5 | 60.0° | 155.1° |
| CAT | NBB | CAB | H6 | 60.0° | 35.2° |
| CAT | NBB | CAQ | H19 | 144.1° | 150.0° |
| CAT | NBB | CAQ | H20 | 24.0° | 30.0° |
| CAB | NBB | CAQ | CAU | 84.1° | 90.0° |
| NBB | CAB | H4 | H5 | 120.0° | 120.1° |
| NBB | CAB | H4 | H6 | 120.0° | 120.0° |
| NBB | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | NBB | CAQ | H19 | 35.9° | 30.0° |
| CAB | NBB | CAQ | H20 | 156.0° | 150.0° |
| NBB | CAQ | CAU | H19 | 120.0° | 120.0° |
| NBB | CAQ | CAU | H20 | 120.0° | 120.0° |
| NBB | CAQ | CAU | CAO | 92.7° | 90.0° |
| NBB | CAQ | CAU | CAM | 87.1° | 90.0° |
| CAQ | NBB | CAB | H4 | 0.1° | 95.2° |
| CAQ | NBB | CAB | H5 | 120.0° | 24.9° |
| CAQ | NBB | CAB | H6 | 120.0° | 144.9° |
| NBB | CAQ | H19 | H20 | 120.1° | 120.0° |
| CAQ | CAU | CAO | CAM | 179.8° | 180.0° |
| CAQ | CAU | CAO | NBC | 179.8° | 179.7° |
| CAQ | CAU | CAM | NAR | 179.8° | 179.9° |
| CAQ | CAU | CAM | H14 | 0.2° | 0.3° |
| CAQ | CAU | CAO | H16 | 0.2° | 0.2° |
| CAU | CAQ | H19 | H20 | 120.1° | 120.0° |
| CAU | CAO | NBC | H16 | 180.0° | 179.5° |
| CAO | CAU | CAM | NAR | 0.0° | 0.0° |
| CAU | CAO | NBC | NAR | 0.0° | 0.5° |
| CAU | CAO | NBC | CAW | 179.8° | 180.0° |
| CAO | CAU | CAM | H14 | 180.0° | 179.7° |
| CAO | CAU | CAQ | H19 | 147.3° | 150.0° |
| CAO | CAU | CAQ | H20 | 27.2° | 30.0° |
| CAM | CAU | CAO | NBC | 0.0° | 0.3° |
| CAU | CAM | NAR | H14 | 180.0° | 179.8° |
| CAU | CAM | NAR | NBC | 0.1° | 0.2° |
| CAM | CAU | CAO | H16 | 180.0° | 179.8° |
| CAM | CAU | CAQ | H19 | 32.9° | 30.0° |
| CAM | CAU | CAQ | H20 | 153.0° | 150.0° |
| CAO | NBC | NAR | CAM | 0.1° | 0.4° |
| CAO | NBC | NAR | CAW | 179.8° | 179.6° |
| CAO | NBC | CAW | CAI | 2.4° | 180.0° |
| CAO | NBC | CAW | CAJ | 177.7° | 0.3° |
| CAM | NAR | NBC | CAW | 179.8° | 180.0° |
| NAR | NBC | CAW | CAI | 177.3° | 0.5° |
| NAR | NBC | CAW | CAJ | 2.6° | 179.7° |
| NBC | NAR | CAM | H14 | 180.0° | 180.0° |
| NAR | NBC | CAO | H16 | 180.0° | 180.0° |
| NBC | CAW | CAI | CAJ | 179.9° | 179.8° |
| NBC | CAW | CAI | CAG | 179.9° | 180.0° |
| NBC | CAW | CAJ | CAH | 179.9° | 179.7° |
| NBC | CAW | CAI | H10 | 0.1° | 0.2° |
| NBC | CAW | CAJ | H11 | 0.1° | 0.3° |
| CAW | NBC | CAO | H16 | 0.2° | 0.5° |
| CAW | CAI | CAG | H10 | 180.0° | 179.8° |
| CAW | CAI | CAG | CAF | 0.0° | 0.0° |
| CAI | CAW | CAJ | CAH | 0.0° | 0.6° |
| CAW | CAI | CAG | H8 | 180.0° | 180.0° |
| CAI | CAW | CAJ | H11 | 180.0° | 179.9° |
| CAG | CAI | CAW | CAJ | 0.0° | 0.2° |
| CAI | CAG | CAF | H8 | 180.0° | 179.9° |
| CAI | CAG | CAF | CAH | 0.0° | 0.1° |
| CAI | CAG | CAF | H7 | 180.0° | 179.7° |
| CAW | CAJ | CAH | H11 | 180.0° | 179.4° |
| CAW | CAJ | CAH | CAF | 0.0° | 0.7° |
| CAW | CAJ | CAH | H9 | 180.0° | 179.5° |
| CAJ | CAW | CAI | H10 | 180.0° | 180.0° |
| CAG | CAF | CAH | CAJ | 0.0° | 0.4° |
| CAG | CAF | CAH | H7 | 180.0° | 179.6° |
| CAG | CAF | CAH | H9 | 180.0° | 179.7° |
| CAF | CAG | CAI | H10 | 180.0° | 179.8° |
| CAJ | CAH | CAF | H9 | 180.0° | 179.8° |
| CAJ | CAH | CAF | H7 | 180.0° | 179.9° |
| CAH | CAF | CAG | H8 | 180.0° | 179.9° |
| CAF | CAH | CAJ | H11 | 180.0° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAP | H17 | 59.4° | 59.9° |
| H1 | CAA | CAP | H18 | 59.4° | 60.0° |
| H2 | CAA | CAP | H17 | 60.6° | 60.0° |
| H2 | CAA | CAP | H18 | 179.4° | 180.0° |
| H3 | CAA | CAP | H17 | 179.4° | 180.0° |
| H3 | CAA | CAP | H18 | 60.6° | 60.1° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAF | CAG | H8 | 0.0° | 0.3° |
| H7 | CAF | CAH | H9 | 0.0° | 0.1° |
| H8 | CAG | CAI | H10 | 0.0° | 0.3° |
| H9 | CAH | CAJ | H11 | 0.0° | 0.1° |
| H12 | CAK | CAL | H13 | 1.0° | 0.3° |
