J1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAN | sing | 1.53Å | 1.57Å | |
| CAM | CAO | sing | 1.53Å | 1.58Å | |
| CAN | CAP | sing | 1.53Å | 1.59Å | |
| CAO | CAQ | sing | 1.53Å | 1.56Å | |
| OAC | NAR | sing | 1.42Å | 1.40Å | |
| CAP | CBB | sing | 1.53Å | 1.46Å | |
| NAR | C | sing | 1.35Å | 1.31Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| CAQ | CBB | sing | 1.53Å | 1.43Å | |
| CBB | CAU | sing | 1.51Å | 1.49Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CAU | N | sing | 1.35Å | 1.34Å | |
| CAU | OAB | doub | 1.21Å | 1.21Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | CAZ | sing | 1.51Å | 1.41Å | |
| CAZ | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAZ | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAG | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | CAY | sing | 1.48Å | 1.41Å | |
| CAY | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAY | CAK | sing | 1.39Å | 1.42Å | Aromatic |
| CAL | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAW | FAE | sing | 1.35Å | 1.31Å | |
| CAW | CBA | doub | 1.39Å | 1.38Å | Aromatic |
| CAV | CBA | sing | 1.39Å | 1.37Å | Aromatic |
| CAV | FAD | sing | 1.35Å | 1.37Å | |
| CBA | FAF | sing | 1.35Å | 1.42Å | |
| CAP | H1 | sing | 1.09Å | 1.10Å | |
| CAP | H2 | sing | 1.09Å | 1.10Å | |
| CAN | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAO | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAQ | H9 | sing | 1.09Å | 1.10Å | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| CBB | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| NAR | H14 | sing | 0.97Å | 1.00Å | |
| OAC | H15 | sing | 0.97Å | 0.95Å | |
| CAJ | H16 | sing | 1.08Å | 1.08Å | |
| CAH | H17 | sing | 1.08Å | 1.08Å | |
| CAI | H18 | sing | 1.08Å | 1.08Å | |
| CAG | H19 | sing | 1.08Å | 1.08Å | |
| CAK | H20 | sing | 1.08Å | 1.08Å | |
| CAL | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAM | CAO | 113.5° | 109.5° |
| CAM | CAN | CAP | 110.1° | 109.4° |
| CAM | CAN | H3 | 109.3° | 109.5° |
| CAM | CAN | H4 | 109.3° | 109.4° |
| CAN | CAM | H5 | 108.5° | 109.5° |
| CAN | CAM | H6 | 108.5° | 109.5° |
| CAM | CAO | CAQ | 113.5° | 109.5° |
| CAO | CAM | H5 | 108.5° | 109.5° |
| CAO | CAM | H6 | 108.5° | 109.4° |
| CAM | CAO | H7 | 108.5° | 109.5° |
| CAM | CAO | H8 | 108.5° | 109.5° |
| CAN | CAP | CBB | 98.5° | 109.5° |
| CAN | CAP | H1 | 112.1° | 109.6° |
| CAN | CAP | H2 | 112.1° | 109.4° |
| CAP | CAN | H3 | 109.3° | 109.5° |
| CAP | CAN | H4 | 109.3° | 109.5° |
| CAO | CAQ | CBB | 97.5° | 109.5° |
| CAQ | CAO | H7 | 108.5° | 109.4° |
| CAQ | CAO | H8 | 108.5° | 109.5° |
| CAO | CAQ | H9 | 112.4° | 109.5° |
| CAO | CAQ | H10 | 112.4° | 109.4° |
| OAC | NAR | C | 116.3° | 120.0° |
| OAC | NAR | H14 | 121.9° | 119.9° |
| NAR | OAC | H15 | 109.5° | 114.0° |
| CAP | CBB | CAQ | 119.0° | 109.5° |
| CAP | CBB | CAU | 122.5° | 109.5° |
| CBB | CAP | H1 | 112.2° | 109.5° |
| CBB | CAP | H2 | 112.1° | 109.4° |
| CAP | CBB | H11 | 93.2° | 109.5° |
| NAR | C | O | 123.6° | 120.0° |
| NAR | C | CA | 113.0° | 120.0° |
| C | NAR | H14 | 121.9° | 120.0° |
| O | C | CA | 123.0° | 120.0° |
| CAQ | CBB | CAU | 117.7° | 109.5° |
| CBB | CAQ | H9 | 112.4° | 109.5° |
| CBB | CAQ | H10 | 112.4° | 109.5° |
| CAQ | CBB | H11 | 93.2° | 109.5° |
| CBB | CAU | N | 115.0° | 120.0° |
| CBB | CAU | OAB | 116.8° | 120.0° |
| CAU | CBB | H11 | 93.1° | 109.4° |
| C | CA | N | 106.4° | 109.5° |
| C | CA | CAZ | 116.7° | 109.5° |
| C | CA | H13 | 103.7° | 109.5° |
| N | CAU | OAB | 125.3° | 120.0° |
| CAU | N | CA | 120.9° | 120.0° |
| CAU | N | H12 | 119.6° | 120.0° |
| N | CA | CAZ | 119.2° | 109.5° |
| CA | N | H12 | 119.5° | 120.0° |
| N | CA | H13 | 104.2° | 109.4° |
| CA | CAZ | CAJ | 115.7° | 119.9° |
| CA | CAZ | CAI | 123.3° | 119.8° |
| CAZ | CA | H13 | 104.8° | 109.4° |
| CAJ | CAZ | CAI | 120.8° | 120.2° |
| CAZ | CAJ | CAH | 121.5° | 120.2° |
| CAZ | CAJ | H16 | 119.3° | 119.9° |
| CAZ | CAI | CAG | 117.9° | 120.1° |
| CAZ | CAI | H18 | 121.1° | 120.0° |
| CAJ | CAH | CAX | 118.3° | 119.9° |
| CAH | CAJ | H16 | 119.3° | 119.9° |
| CAJ | CAH | H17 | 120.9° | 120.1° |
| CAI | CAG | CAX | 121.7° | 119.9° |
| CAG | CAI | H18 | 121.1° | 119.9° |
| CAI | CAG | H19 | 119.2° | 120.0° |
| CAH | CAX | CAG | 119.9° | 119.8° |
| CAH | CAX | CAY | 120.4° | 120.1° |
| CAX | CAH | H17 | 120.9° | 120.1° |
| CAG | CAX | CAY | 119.6° | 120.1° |
| CAX | CAG | H19 | 119.1° | 120.1° |
| CAX | CAY | CAL | 125.0° | 120.1° |
| CAX | CAY | CAK | 114.0° | 120.1° |
| CAL | CAY | CAK | 120.8° | 119.8° |
| CAY | CAL | CAW | 117.7° | 119.9° |
| CAY | CAL | H21 | 121.1° | 120.0° |
| CAY | CAK | CAV | 119.5° | 120.0° |
| CAY | CAK | H20 | 120.2° | 120.0° |
| CAL | CAW | FAE | 120.6° | 119.9° |
| CAL | CAW | CBA | 121.8° | 120.1° |
| CAW | CAL | H21 | 121.1° | 120.1° |
| CAK | CAV | CBA | 119.3° | 120.0° |
| CAK | CAV | FAD | 123.0° | 120.0° |
| CAV | CAK | H20 | 120.2° | 120.0° |
| FAE | CAW | CBA | 117.6° | 120.0° |
| CAW | CBA | CAV | 120.8° | 120.2° |
| CAW | CBA | FAF | 119.4° | 119.9° |
| CBA | CAV | FAD | 117.7° | 120.0° |
| CAV | CBA | FAF | 119.8° | 119.9° |
| H1 | CAP | H2 | 109.5° | 109.5° |
| H3 | CAN | H4 | 109.5° | 109.5° |
| H5 | CAM | H6 | 109.4° | 109.5° |
| H7 | CAO | H8 | 109.5° | 109.5° |
| H9 | CAQ | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAM | CAO | H5 | 120.6° | 120.0° |
| CAN | CAM | CAO | H6 | 120.6° | 120.0° |
| CAM | CAN | CAP | H3 | 120.1° | 120.0° |
| CAM | CAN | CAP | H4 | 120.1° | 119.9° |
| CAN | CAM | CAO | CAQ | 45.5° | 60.0° |
| CAM | CAN | CAP | CBB | 54.1° | 60.0° |
| CAM | CAN | CAP | H1 | 172.3° | 60.0° |
| CAM | CAN | CAP | H2 | 64.1° | 180.0° |
| CAM | CAN | H3 | H4 | 119.7° | 120.0° |
| CAN | CAM | H5 | H6 | 118.2° | 120.0° |
| CAN | CAM | CAO | H7 | 166.1° | 60.0° |
| CAN | CAM | CAO | H8 | 75.1° | 180.0° |
| CAO | CAM | CAN | CAP | 45.6° | 60.0° |
| CAM | CAO | CAQ | H7 | 120.6° | 120.0° |
| CAM | CAO | CAQ | H8 | 120.6° | 120.0° |
| CAM | CAO | CAQ | CBB | 52.5° | 60.0° |
| CAO | CAM | CAN | H3 | 74.5° | 60.0° |
| CAO | CAM | CAN | H4 | 165.7° | 180.0° |
| CAO | CAM | H5 | H6 | 118.2° | 120.0° |
| CAM | CAO | H7 | H8 | 118.2° | 120.0° |
| CAM | CAO | CAQ | H9 | 65.5° | 180.0° |
| CAM | CAO | CAQ | H10 | 170.5° | 60.0° |
| CAN | CAP | CBB | H1 | 118.2° | 120.1° |
| CAN | CAP | CBB | H2 | 118.2° | 119.9° |
| CAN | CAP | CBB | CAQ | 82.8° | 60.1° |
| CAN | CAP | CBB | CAU | 86.0° | 179.9° |
| CAN | CAP | H1 | H2 | 125.1° | 120.0° |
| CAP | CAN | H3 | H4 | 119.7° | 120.1° |
| CAP | CAN | CAM | H5 | 75.0° | 180.0° |
| CAP | CAN | CAM | H6 | 166.2° | 60.0° |
| CAN | CAP | CBB | H11 | 178.3° | 60.0° |
| CAO | CAQ | CBB | CAP | 80.5° | 60.0° |
| CAO | CAQ | CBB | H9 | 118.0° | 120.0° |
| CAO | CAQ | CBB | H10 | 118.0° | 119.9° |
| CAO | CAQ | CBB | CAU | 88.8° | 180.0° |
| CAQ | CAO | CAM | H5 | 75.1° | 180.0° |
| CAQ | CAO | CAM | H6 | 166.1° | 60.0° |
| CAQ | CAO | H7 | H8 | 118.2° | 120.0° |
| CAO | CAQ | H9 | H10 | 125.6° | 120.0° |
| CAO | CAQ | CBB | H11 | 175.9° | 60.1° |
| OAC | NAR | C | H14 | 180.0° | 180.0° |
| OAC | NAR | C | O | 7.4° | 0.0° |
| OAC | NAR | C | CA | 179.8° | 180.0° |
| CAP | CBB | CAQ | CAU | 169.4° | 120.0° |
| CAP | CBB | CAQ | H11 | 95.4° | 120.1° |
| CAP | CBB | CAU | H11 | 95.7° | 120.0° |
| CAP | CBB | CAU | N | 2.7° | 179.9° |
| CAP | CBB | CAU | OAB | 159.1° | 0.0° |
| CBB | CAP | H1 | H2 | 125.1° | 120.0° |
| CBB | CAP | CAN | H3 | 66.0° | 59.9° |
| CBB | CAP | CAN | H4 | 174.2° | 180.0° |
| CAP | CBB | CAQ | H9 | 37.5° | 180.0° |
| CAP | CBB | CAQ | H10 | 161.5° | 59.9° |
| NAR | C | O | CA | 172.1° | 180.0° |
| NAR | C | CA | N | 117.2° | 180.0° |
| NAR | C | CA | CAZ | 107.1° | 60.0° |
| NAR | C | CA | H13 | 7.6° | 60.0° |
| C | NAR | OAC | H15 | 3.4° | 179.9° |
| O | C | CA | N | 55.7° | 0.1° |
| O | C | CA | CAZ | 80.1° | 120.0° |
| O | C | CA | H13 | 165.3° | 120.0° |
| O | C | NAR | H14 | 172.6° | 180.0° |
| CAQ | CBB | CAU | H11 | 95.3° | 120.0° |
| CAQ | CBB | CAU | N | 171.6° | 59.9° |
| CAQ | CBB | CAU | OAB | 9.9° | 120.0° |
| CAQ | CBB | CAP | H1 | 159.0° | 60.0° |
| CAQ | CBB | CAP | H2 | 35.3° | 180.0° |
| CBB | CAQ | CAO | H7 | 173.1° | 60.0° |
| CBB | CAQ | CAO | H8 | 68.1° | 180.0° |
| CBB | CAQ | H9 | H10 | 125.6° | 120.0° |
| CBB | CAU | N | OAB | 160.0° | 179.9° |
| CBB | CAU | N | CA | 159.6° | 180.0° |
| CAU | CBB | CAP | H1 | 32.2° | 59.9° |
| CAU | CBB | CAP | H2 | 155.8° | 60.0° |
| CAU | CBB | CAQ | H9 | 153.2° | 60.0° |
| CAU | CBB | CAQ | H10 | 29.2° | 60.0° |
| CBB | CAU | N | H12 | 20.4° | 0.1° |
| C | CA | N | CAU | 124.3° | 84.9° |
| C | CA | N | CAZ | 134.5° | 120.1° |
| C | CA | N | H13 | 109.2° | 120.0° |
| C | CA | CAZ | H13 | 114.0° | 120.0° |
| C | CA | CAZ | CAJ | 65.2° | 100.0° |
| C | CA | CAZ | CAI | 120.0° | 79.7° |
| C | CA | N | H12 | 55.7° | 94.9° |
| CA | C | NAR | H14 | 0.2° | 0.0° |
| CAU | N | CA | H12 | 180.0° | 179.8° |
| CAU | N | CA | CAZ | 101.2° | 155.0° |
| N | CAU | CBB | H11 | 93.1° | 60.0° |
| CAU | N | CA | H13 | 15.2° | 35.1° |
| OAB | CAU | N | CA | 0.4° | 0.1° |
| OAB | CAU | CBB | H11 | 105.2° | 120.0° |
| OAB | CAU | N | H12 | 179.6° | 179.9° |
| N | CA | CAZ | H13 | 116.0° | 119.9° |
| N | CA | CAZ | CAJ | 164.8° | 139.9° |
| N | CA | CAZ | CAI | 10.0° | 40.3° |
| CA | CAZ | CAJ | CAI | 175.0° | 179.7° |
| CA | CAZ | CAJ | CAH | 176.4° | 180.0° |
| CA | CAZ | CAI | CAG | 175.8° | 180.0° |
| CAZ | CA | N | H12 | 78.8° | 25.1° |
| CA | CAZ | CAJ | H16 | 3.6° | 0.0° |
| CA | CAZ | CAI | H18 | 4.2° | 0.1° |
| CAZ | CAJ | CAH | H16 | 180.0° | 180.0° |
| CAJ | CAZ | CAI | CAG | 1.1° | 0.3° |
| CAZ | CAJ | CAH | CAX | 0.5° | 0.0° |
| CAJ | CAZ | CA | H13 | 48.8° | 20.0° |
| CAZ | CAJ | CAH | H17 | 179.6° | 179.9° |
| CAJ | CAZ | CAI | H18 | 178.8° | 179.8° |
| CAI | CAZ | CAJ | CAH | 1.4° | 0.3° |
| CAZ | CAI | CAG | H18 | 180.0° | 179.9° |
| CAZ | CAI | CAG | CAX | 0.0° | 0.0° |
| CAI | CAZ | CA | H13 | 126.1° | 160.3° |
| CAI | CAZ | CAJ | H16 | 178.6° | 179.7° |
| CAZ | CAI | CAG | H19 | 180.0° | 180.0° |
| CAJ | CAH | CAX | H17 | 180.0° | 179.9° |
| CAJ | CAH | CAX | CAG | 0.7° | 0.3° |
| CAJ | CAH | CAX | CAY | 176.5° | 179.9° |
| CAI | CAG | CAX | CAH | 0.9° | 0.2° |
| CAI | CAG | CAX | H19 | 180.0° | 179.9° |
| CAI | CAG | CAX | CAY | 176.7° | 180.0° |
| CAH | CAX | CAG | CAY | 175.8° | 179.8° |
| CAH | CAX | CAY | CAL | 123.8° | 180.0° |
| CAH | CAX | CAY | CAK | 60.7° | 0.3° |
| CAX | CAH | CAJ | H16 | 179.5° | 180.0° |
| CAH | CAX | CAG | H19 | 179.1° | 179.7° |
| CAG | CAX | CAY | CAL | 60.4° | 0.2° |
| CAG | CAX | CAY | CAK | 115.1° | 179.5° |
| CAG | CAX | CAH | H17 | 179.3° | 179.8° |
| CAX | CAG | CAI | H18 | 180.0° | 180.0° |
| CAX | CAY | CAL | CAK | 175.1° | 179.7° |
| CAX | CAY | CAL | CAW | 178.2° | 179.8° |
| CAX | CAY | CAK | CAV | 177.7° | 180.0° |
| CAY | CAX | CAH | H17 | 3.5° | 0.0° |
| CAY | CAX | CAG | H19 | 3.3° | 0.1° |
| CAX | CAY | CAK | H20 | 2.3° | 0.0° |
| CAX | CAY | CAL | H21 | 1.7° | 0.0° |
| CAY | CAL | CAW | H21 | 180.0° | 179.8° |
| CAL | CAY | CAK | CAV | 2.1° | 0.2° |
| CAY | CAL | CAW | FAE | 177.9° | 179.8° |
| CAY | CAL | CAW | CBA | 2.4° | 0.5° |
| CAL | CAY | CAK | H20 | 177.9° | 179.8° |
| CAK | CAY | CAL | CAW | 3.1° | 0.5° |
| CAY | CAK | CAV | H20 | 180.0° | 180.0° |
| CAY | CAK | CAV | CBA | 0.2° | 0.0° |
| CAY | CAK | CAV | FAD | 179.6° | 180.0° |
| CAK | CAY | CAL | H21 | 176.9° | 179.8° |
| CAL | CAW | FAE | CBA | 179.7° | 179.8° |
| CAL | CAW | CBA | CAV | 0.6° | 0.2° |
| CAL | CAW | CBA | FAF | 179.1° | 179.7° |
| CAK | CAV | CBA | CAW | 0.5° | 0.0° |
| CAK | CAV | CBA | FAD | 179.4° | 180.0° |
| CAK | CAV | CBA | FAF | 179.8° | 180.0° |
| FAE | CAW | CBA | CAV | 179.7° | 180.0° |
| FAE | CAW | CBA | FAF | 0.6° | 0.0° |
| FAE | CAW | CAL | H21 | 2.1° | 0.0° |
| CAW | CBA | CAV | FAF | 179.7° | 179.9° |
| CAW | CBA | CAV | FAD | 179.0° | 180.0° |
| CBA | CAW | CAL | H21 | 177.6° | 179.7° |
| CBA | CAV | CAK | H20 | 179.8° | 180.0° |
| FAD | CAV | CBA | FAF | 0.8° | 0.0° |
| FAD | CAV | CAK | H20 | 0.3° | 0.0° |
| H1 | CAP | CAN | H3 | 52.2° | 180.0° |
| H1 | CAP | CAN | H4 | 67.6° | 59.9° |
| H1 | CAP | CBB | H11 | 63.5° | 179.9° |
| H2 | CAP | CAN | H3 | 175.8° | 60.0° |
| H2 | CAP | CAN | H4 | 56.0° | 60.1° |
| H2 | CAP | CBB | H11 | 60.1° | 60.0° |
| H3 | CAN | CAM | H5 | 164.9° | 60.0° |
| H3 | CAN | CAM | H6 | 46.1° | 179.9° |
| H4 | CAN | CAM | H5 | 45.1° | 60.0° |
| H4 | CAN | CAM | H6 | 73.7° | 60.0° |
| H5 | CAM | CAO | H7 | 45.5° | 60.0° |
| H5 | CAM | CAO | H8 | 164.3° | 60.0° |
| H6 | CAM | CAO | H7 | 73.3° | 180.0° |
| H6 | CAM | CAO | H8 | 45.5° | 60.0° |
| H7 | CAO | CAQ | H9 | 55.1° | 60.0° |
| H7 | CAO | CAQ | H10 | 68.9° | 180.0° |
| H8 | CAO | CAQ | H9 | 173.9° | 60.0° |
| H8 | CAO | CAQ | H10 | 49.9° | 60.0° |
| H9 | CAQ | CBB | H11 | 58.0° | 60.0° |
| H10 | CAQ | CBB | H11 | 66.0° | 180.0° |
| H12 | N | CA | H13 | 164.8° | 145.1° |
| H14 | NAR | OAC | H15 | 176.6° | 0.0° |
| H16 | CAJ | CAH | H17 | 0.4° | 0.1° |
| H18 | CAI | CAG | H19 | 0.0° | 0.1° |
