J1G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAN | sing | 1.54Å | 1.53Å | |
| CAM | CAO | sing | 1.55Å | 1.55Å | |
| CAN | CAP | sing | 1.54Å | 1.52Å | |
| OAC | NAQ | sing | 1.42Å | 1.38Å | |
| CAO | CBA | sing | 1.55Å | 1.54Å | |
| CAP | CBA | sing | 1.54Å | 1.50Å | |
| NAQ | C | sing | 1.35Å | 1.33Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| CBA | CAT | sing | 1.51Å | 1.54Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| CAT | N | sing | 1.35Å | 1.35Å | |
| CAT | OAB | doub | 1.21Å | 1.23Å | |
| N | CA | sing | 1.46Å | 1.48Å | |
| CA | CAY | sing | 1.51Å | 1.43Å | |
| CAY | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | CAX | sing | 1.48Å | 1.40Å | |
| CAX | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAK | sing | 1.39Å | 1.41Å | Aromatic |
| CAL | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | FAE | sing | 1.35Å | 1.30Å | |
| CAV | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| CAU | CAZ | sing | 1.39Å | 1.37Å | Aromatic |
| CAU | FAD | sing | 1.35Å | 1.39Å | |
| CAZ | FAF | sing | 1.35Å | 1.39Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAJ | H6 | sing | 1.08Å | 1.08Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAL | H8 | sing | 1.08Å | 1.08Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| 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 | |
| CBA | H17 | sing | 1.09Å | 1.10Å | |
| NAQ | H18 | sing | 0.97Å | 1.00Å | |
| OAC | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAM | CAO | 103.4° | 104.2° |
| CAM | CAN | CAP | 105.3° | 106.6° |
| CAN | CAM | H9 | 111.0° | 110.5° |
| CAN | CAM | H10 | 111.0° | 110.5° |
| CAM | CAN | H11 | 110.5° | 110.0° |
| CAM | CAN | H12 | 110.5° | 110.1° |
| CAM | CAO | CBA | 105.4° | 102.7° |
| CAO | CAM | H9 | 111.0° | 110.5° |
| CAO | CAM | H10 | 111.0° | 110.5° |
| CAM | CAO | H13 | 110.5° | 110.8° |
| CAM | CAO | H14 | 110.5° | 110.7° |
| CAN | CAP | CBA | 103.6° | 106.6° |
| CAP | CAN | H11 | 110.5° | 110.1° |
| CAP | CAN | H12 | 110.5° | 110.0° |
| CAN | CAP | H15 | 110.9° | 110.0° |
| CAN | CAP | H16 | 110.9° | 110.1° |
| OAC | NAQ | C | 115.9° | 120.0° |
| OAC | NAQ | H18 | 122.0° | 120.0° |
| NAQ | OAC | H19 | 109.5° | 113.9° |
| CAO | CBA | CAP | 98.2° | 104.2° |
| CAO | CBA | CAT | 110.5° | 110.5° |
| CBA | CAO | H13 | 110.5° | 110.8° |
| CBA | CAO | H14 | 110.5° | 110.7° |
| CAO | CBA | H17 | 111.3° | 110.5° |
| CAP | CBA | CAT | 113.1° | 110.5° |
| CBA | CAP | H15 | 110.9° | 110.0° |
| CBA | CAP | H16 | 110.9° | 110.1° |
| CAP | CBA | H17 | 111.8° | 110.5° |
| NAQ | C | O | 123.2° | 120.0° |
| NAQ | C | CA | 114.8° | 120.0° |
| C | NAQ | H18 | 122.0° | 120.0° |
| O | C | CA | 121.8° | 120.0° |
| CBA | CAT | N | 117.7° | 120.0° |
| CBA | CAT | OAB | 118.4° | 119.9° |
| CAT | CBA | H17 | 111.2° | 110.5° |
| C | CA | N | 106.0° | 109.5° |
| C | CA | CAY | 116.4° | 109.5° |
| C | CA | H2 | 104.3° | 109.4° |
| N | CAT | OAB | 123.7° | 120.1° |
| CAT | N | CA | 121.0° | 120.0° |
| CAT | N | H1 | 119.5° | 120.0° |
| N | CA | CAY | 118.7° | 109.5° |
| CA | N | H1 | 119.5° | 120.0° |
| N | CA | H2 | 104.6° | 109.4° |
| CA | CAY | CAJ | 116.6° | 119.9° |
| CA | CAY | CAI | 125.1° | 119.9° |
| CAY | CA | H2 | 105.2° | 109.5° |
| CAJ | CAY | CAI | 118.2° | 120.2° |
| CAY | CAJ | CAH | 122.3° | 120.1° |
| CAY | CAJ | H6 | 118.9° | 119.9° |
| CAY | CAI | CAG | 119.8° | 120.1° |
| CAY | CAI | H5 | 120.1° | 120.0° |
| CAJ | CAH | CAW | 119.8° | 119.9° |
| CAJ | CAH | H4 | 120.1° | 120.0° |
| CAH | CAJ | H6 | 118.9° | 119.9° |
| CAI | CAG | CAW | 121.5° | 119.9° |
| CAI | CAG | H3 | 119.3° | 120.0° |
| CAG | CAI | H5 | 120.1° | 119.9° |
| CAH | CAW | CAG | 118.4° | 119.8° |
| CAH | CAW | CAX | 120.5° | 120.0° |
| CAW | CAH | H4 | 120.1° | 120.1° |
| CAG | CAW | CAX | 120.8° | 120.2° |
| CAW | CAG | H3 | 119.3° | 120.1° |
| CAW | CAX | CAL | 125.3° | 120.1° |
| CAW | CAX | CAK | 115.5° | 120.0° |
| CAL | CAX | CAK | 119.0° | 119.9° |
| CAX | CAL | CAV | 119.1° | 119.9° |
| CAX | CAL | H8 | 120.4° | 120.0° |
| CAX | CAK | CAU | 120.7° | 119.9° |
| CAX | CAK | H7 | 119.7° | 120.1° |
| CAL | CAV | FAE | 121.0° | 120.0° |
| CAL | CAV | CAZ | 121.1° | 120.1° |
| CAV | CAL | H8 | 120.4° | 120.1° |
| CAK | CAU | CAZ | 119.9° | 120.1° |
| CAK | CAU | FAD | 122.6° | 120.0° |
| CAU | CAK | H7 | 119.6° | 120.0° |
| FAE | CAV | CAZ | 117.9° | 120.0° |
| CAV | CAZ | CAU | 120.1° | 120.1° |
| CAV | CAZ | FAF | 120.7° | 119.9° |
| CAZ | CAU | FAD | 117.5° | 119.9° |
| CAU | CAZ | FAF | 119.2° | 120.0° |
| H9 | CAM | H10 | 109.5° | 110.5° |
| H11 | CAN | H12 | 109.5° | 110.1° |
| H13 | CAO | H14 | 109.5° | 110.8° |
| H15 | CAP | H16 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAM | CAO | H9 | 119.0° | 118.7° |
| CAN | CAM | CAO | H10 | 119.0° | 118.7° |
| CAM | CAN | CAP | H11 | 119.3° | 119.3° |
| CAM | CAN | CAP | H12 | 119.4° | 119.3° |
| CAN | CAM | CAO | CBA | 21.4° | 37.9° |
| CAM | CAN | CAP | CBA | 36.5° | 0.0° |
| CAN | CAM | H9 | H10 | 122.8° | 122.6° |
| CAM | CAN | H11 | H12 | 121.9° | 121.4° |
| CAN | CAM | CAO | H13 | 97.9° | 156.3° |
| CAN | CAM | CAO | H14 | 140.8° | 80.3° |
| CAM | CAN | CAP | H15 | 155.5° | 119.3° |
| CAM | CAN | CAP | H16 | 82.5° | 119.3° |
| CAO | CAM | CAN | CAP | 8.6° | 23.6° |
| CAM | CAO | CBA | H13 | 119.4° | 118.4° |
| CAM | CAO | CBA | H14 | 119.3° | 118.3° |
| CAM | CAO | CBA | CAP | 42.9° | 37.9° |
| CAM | CAO | CBA | CAT | 75.6° | 156.6° |
| CAO | CAM | H9 | H10 | 122.8° | 122.6° |
| CAO | CAM | CAN | H11 | 110.7° | 95.7° |
| CAO | CAM | CAN | H12 | 128.0° | 142.9° |
| CAM | CAO | H13 | H14 | 121.9° | 123.4° |
| CAM | CAO | CBA | H17 | 160.3° | 80.8° |
| CAN | CAP | CBA | CAO | 48.1° | 23.6° |
| CAN | CAP | CBA | H15 | 119.1° | 119.3° |
| CAN | CAP | CBA | H16 | 119.1° | 119.3° |
| CAN | CAP | CBA | CAT | 68.4° | 142.3° |
| CAP | CAN | CAM | H9 | 110.4° | 95.1° |
| CAP | CAN | CAM | H10 | 127.6° | 142.3° |
| CAP | CAN | H11 | H12 | 121.9° | 121.4° |
| CAN | CAP | H15 | H16 | 122.8° | 121.4° |
| CAN | CAP | CBA | H17 | 165.1° | 95.1° |
| OAC | NAQ | C | H18 | 180.0° | 179.9° |
| OAC | NAQ | C | O | 5.2° | 0.1° |
| OAC | NAQ | C | CA | 179.6° | 179.9° |
| CAO | CBA | CAP | CAT | 116.5° | 118.7° |
| CAO | CBA | CAP | H17 | 116.9° | 118.7° |
| CAO | CBA | CAT | H17 | 124.1° | 122.6° |
| CAO | CBA | CAT | N | 137.1° | 180.0° |
| CAO | CBA | CAT | OAB | 47.3° | 0.0° |
| CBA | CAO | CAM | H9 | 140.4° | 80.8° |
| CBA | CAO | CAM | H10 | 97.6° | 156.6° |
| CBA | CAO | H13 | H14 | 121.9° | 123.3° |
| CAO | CBA | CAP | H15 | 167.2° | 95.7° |
| CAO | CBA | CAP | H16 | 70.9° | 142.9° |
| CAP | CBA | CAT | H17 | 126.9° | 122.6° |
| CAP | CBA | CAT | N | 28.1° | 65.2° |
| CAP | CBA | CAT | OAB | 156.3° | 114.8° |
| CBA | CAP | CAN | H11 | 82.8° | 119.3° |
| CBA | CAP | CAN | H12 | 155.9° | 119.3° |
| CAP | CBA | CAO | H13 | 76.4° | 156.3° |
| CAP | CBA | CAO | H14 | 162.3° | 80.4° |
| CBA | CAP | H15 | H16 | 122.7° | 121.4° |
| NAQ | C | O | CA | 174.8° | 180.0° |
| NAQ | C | CA | N | 116.6° | 180.0° |
| NAQ | C | CA | CAY | 108.9° | 60.0° |
| NAQ | C | CA | H2 | 6.5° | 60.0° |
| C | NAQ | OAC | H19 | 2.3° | 180.0° |
| O | C | CA | N | 58.6° | 0.0° |
| O | C | CA | CAY | 75.8° | 120.0° |
| O | C | CA | H2 | 168.7° | 120.0° |
| O | C | NAQ | H18 | 174.8° | 180.0° |
| CBA | CAT | N | OAB | 175.3° | 180.0° |
| CBA | CAT | N | CA | 171.6° | 180.0° |
| CBA | CAT | N | H1 | 8.4° | 0.2° |
| CAT | CBA | CAO | H13 | 165.0° | 85.0° |
| CAT | CBA | CAO | H14 | 43.7° | 38.3° |
| CAT | CBA | CAP | H15 | 50.6° | 23.0° |
| CAT | CBA | CAP | H16 | 172.5° | 98.4° |
| C | CA | N | CAT | 114.4° | 85.2° |
| C | CA | N | CAY | 133.2° | 120.1° |
| C | CA | N | H2 | 109.9° | 120.0° |
| C | CA | CAY | H2 | 114.9° | 120.0° |
| C | CA | CAY | CAJ | 67.7° | 99.9° |
| C | CA | CAY | CAI | 116.8° | 80.1° |
| C | CA | N | H1 | 65.6° | 95.0° |
| CA | C | NAQ | H18 | 0.3° | 0.0° |
| CAT | N | CA | H1 | 180.0° | 179.8° |
| CAT | N | CA | CAY | 112.4° | 154.7° |
| CAT | N | CA | H2 | 4.5° | 34.7° |
| N | CAT | CBA | H17 | 98.7° | 57.4° |
| OAB | CAT | N | CA | 13.1° | 0.0° |
| OAB | CAT | N | H1 | 166.9° | 179.7° |
| OAB | CAT | CBA | H17 | 76.8° | 122.6° |
| N | CA | CAY | H2 | 116.6° | 120.0° |
| N | CA | CAY | CAJ | 163.8° | 140.0° |
| N | CA | CAY | CAI | 11.8° | 40.0° |
| CA | CAY | CAJ | CAI | 175.9° | 180.0° |
| CA | CAY | CAJ | CAH | 177.0° | 179.7° |
| CA | CAY | CAI | CAG | 176.3° | 180.0° |
| CAY | CA | N | H1 | 67.6° | 25.1° |
| CA | CAY | CAI | H5 | 3.7° | 0.0° |
| CA | CAY | CAJ | H6 | 3.0° | 0.3° |
| CAY | CAJ | CAH | H6 | 180.0° | 179.4° |
| CAJ | CAY | CAI | CAG | 0.8° | 0.0° |
| CAY | CAJ | CAH | CAW | 0.3° | 0.6° |
| CAJ | CAY | CA | H2 | 47.3° | 20.0° |
| CAY | CAJ | CAH | H4 | 179.7° | 180.0° |
| CAJ | CAY | CAI | H5 | 179.2° | 180.0° |
| CAI | CAY | CAJ | CAH | 1.1° | 0.3° |
| CAY | CAI | CAG | H5 | 180.0° | 180.0° |
| CAY | CAI | CAG | CAW | 1.0° | 0.0° |
| CAI | CAY | CA | H2 | 128.3° | 160.0° |
| CAY | CAI | CAG | H3 | 179.0° | 179.7° |
| CAI | CAY | CAJ | H6 | 178.9° | 179.7° |
| CAJ | CAH | CAW | H4 | 180.0° | 179.4° |
| CAJ | CAH | CAW | CAG | 2.1° | 0.6° |
| CAJ | CAH | CAW | CAX | 176.2° | 179.4° |
| CAI | CAG | CAW | CAH | 2.5° | 0.3° |
| CAI | CAG | CAW | H3 | 180.0° | 179.7° |
| CAI | CAG | CAW | CAX | 176.6° | 179.7° |
| CAH | CAW | CAG | CAX | 174.1° | 180.0° |
| CAH | CAW | CAX | CAL | 124.9° | 0.0° |
| CAH | CAW | CAX | CAK | 59.7° | 180.0° |
| CAH | CAW | CAG | H3 | 177.6° | 180.0° |
| CAW | CAH | CAJ | H6 | 179.7° | 180.0° |
| CAG | CAW | CAX | CAL | 61.2° | 180.0° |
| CAG | CAW | CAX | CAK | 114.2° | 0.1° |
| CAG | CAW | CAH | H4 | 177.9° | 180.0° |
| CAW | CAG | CAI | H5 | 179.0° | 180.0° |
| CAW | CAX | CAL | CAK | 175.2° | 179.9° |
| CAW | CAX | CAL | CAV | 178.2° | 179.5° |
| CAW | CAX | CAK | CAU | 178.2° | 180.0° |
| CAX | CAW | CAG | H3 | 3.4° | 0.0° |
| CAX | CAW | CAH | H4 | 3.8° | 0.0° |
| CAW | CAX | CAK | H7 | 1.8° | 0.2° |
| CAW | CAX | CAL | H8 | 1.8° | 0.3° |
| CAX | CAL | CAV | H8 | 180.0° | 179.2° |
| CAL | CAX | CAK | CAU | 2.5° | 0.1° |
| CAX | CAL | CAV | FAE | 178.2° | 179.2° |
| CAX | CAL | CAV | CAZ | 1.8° | 0.8° |
| CAL | CAX | CAK | H7 | 177.5° | 179.7° |
| CAK | CAX | CAL | CAV | 2.9° | 0.6° |
| CAX | CAK | CAU | H7 | 180.0° | 179.8° |
| CAX | CAK | CAU | CAZ | 0.8° | 0.2° |
| CAX | CAK | CAU | FAD | 179.9° | 179.8° |
| CAK | CAX | CAL | H8 | 177.0° | 179.7° |
| CAL | CAV | FAE | CAZ | 179.9° | 180.0° |
| CAL | CAV | CAZ | CAU | 0.2° | 0.6° |
| CAL | CAV | CAZ | FAF | 179.6° | 179.5° |
| CAK | CAU | CAZ | CAV | 0.3° | 0.0° |
| CAK | CAU | CAZ | FAD | 179.3° | 180.0° |
| CAK | CAU | CAZ | FAF | 179.9° | 180.0° |
| FAE | CAV | CAZ | CAU | 179.9° | 179.4° |
| FAE | CAV | CAZ | FAF | 0.3° | 0.5° |
| FAE | CAV | CAL | H8 | 1.8° | 0.0° |
| CAV | CAZ | CAU | FAF | 179.8° | 180.0° |
| CAV | CAZ | CAU | FAD | 178.9° | 180.0° |
| CAZ | CAV | CAL | H8 | 178.1° | 180.0° |
| CAZ | CAU | CAK | H7 | 179.2° | 180.0° |
| FAD | CAU | CAZ | FAF | 0.8° | 0.0° |
| FAD | CAU | CAK | H7 | 0.1° | 0.0° |
| H1 | N | CA | H2 | 175.5° | 145.0° |
| H3 | CAG | CAI | H5 | 1.0° | 0.3° |
| H4 | CAH | CAJ | H6 | 0.3° | 0.6° |
| H9 | CAM | CAN | H11 | 130.3° | 145.6° |
| H9 | CAM | CAN | H12 | 9.0° | 24.2° |
| H9 | CAM | CAO | H13 | 21.1° | 37.5° |
| H9 | CAM | CAO | H14 | 100.2° | 161.0° |
| H10 | CAM | CAN | H11 | 8.3° | 23.0° |
| H10 | CAM | CAN | H12 | 113.0° | 98.4° |
| H10 | CAM | CAO | H13 | 143.0° | 85.0° |
| H10 | CAM | CAO | H14 | 21.7° | 38.4° |
| H11 | CAN | CAP | H15 | 36.2° | 0.0° |
| H11 | CAN | CAP | H16 | 158.1° | 121.4° |
| H12 | CAN | CAP | H15 | 85.1° | 121.4° |
| H12 | CAN | CAP | H16 | 36.8° | 0.0° |
| H13 | CAO | CBA | H17 | 40.9° | 37.6° |
| H14 | CAO | CBA | H17 | 80.4° | 161.0° |
| H15 | CAP | CBA | H17 | 75.9° | 145.6° |
| H16 | CAP | CBA | H17 | 46.0° | 24.2° |
| H18 | NAQ | OAC | H19 | 177.7° | 0.1° |
