J4P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAN | sing | 1.54Å | 1.54Å | |
| CAM | CAO | sing | 1.55Å | 1.53Å | |
| CAN | CAP | sing | 1.54Å | 1.53Å | |
| CAO | CBB | sing | 1.55Å | 1.54Å | |
| CAP | CBB | sing | 1.54Å | 1.51Å | |
| OAC | NAR | sing | 1.42Å | 1.36Å | |
| CBB | CAQ | sing | 1.53Å | 1.55Å | |
| NAR | C | sing | 1.35Å | 1.34Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CAQ | CAT | sing | 1.51Å | 1.53Å | |
| CAT | N | sing | 1.35Å | 1.34Å | |
| CAT | OAA | doub | 1.21Å | 1.23Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| CA | CAZ | sing | 1.51Å | 1.42Å | |
| CAZ | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAZ | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAG | CAX | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | CAY | sing | 1.48Å | 1.40Å | |
| CAY | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAY | CAK | sing | 1.39Å | 1.41Å | Aromatic |
| CAL | CAW | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAW | FAE | sing | 1.35Å | 1.29Å | |
| CAW | CBA | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | CBA | sing | 1.39Å | 1.38Å | Aromatic |
| CAV | FAD | sing | 1.35Å | 1.40Å | |
| CBA | FAF | sing | 1.35Å | 1.36Å | |
| 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 | |
| CAQ | H17 | sing | 1.09Å | 1.10Å | |
| CAQ | H18 | sing | 1.09Å | 1.10Å | |
| CBB | H19 | sing | 1.09Å | 1.10Å | |
| NAR | H20 | sing | 0.97Å | 1.00Å | |
| OAC | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAM | CAO | 104.2° | 104.2° |
| CAM | CAN | CAP | 103.9° | 106.6° |
| CAN | CAM | H9 | 110.8° | 110.5° |
| CAN | CAM | H10 | 110.8° | 110.5° |
| CAM | CAN | H11 | 110.8° | 110.1° |
| CAM | CAN | H12 | 110.9° | 110.0° |
| CAM | CAO | CBB | 103.5° | 102.7° |
| CAO | CAM | H9 | 110.8° | 110.5° |
| CAO | CAM | H10 | 110.8° | 110.5° |
| CAM | CAO | H13 | 111.0° | 110.7° |
| CAM | CAO | H14 | 110.9° | 110.7° |
| CAN | CAP | CBB | 99.2° | 106.6° |
| CAP | CAN | H11 | 110.9° | 110.1° |
| CAP | CAN | H12 | 110.8° | 110.0° |
| CAN | CAP | H15 | 112.0° | 110.0° |
| CAN | CAP | H16 | 112.0° | 110.1° |
| CAO | CBB | CAP | 99.3° | 104.2° |
| CAO | CBB | CAQ | 111.4° | 110.5° |
| CBB | CAO | H13 | 110.9° | 110.8° |
| CBB | CAO | H14 | 110.9° | 110.8° |
| CAO | CBB | H19 | 110.9° | 110.5° |
| CAP | CBB | CAQ | 112.7° | 110.5° |
| CBB | CAP | H15 | 112.0° | 110.0° |
| CBB | CAP | H16 | 112.0° | 110.0° |
| CAP | CBB | H19 | 111.3° | 110.5° |
| OAC | NAR | C | 115.7° | 120.0° |
| OAC | NAR | H20 | 122.1° | 120.0° |
| NAR | OAC | H21 | 109.5° | 114.0° |
| CBB | CAQ | CAT | 106.3° | 109.4° |
| CBB | CAQ | H17 | 110.2° | 109.4° |
| CBB | CAQ | H18 | 110.3° | 109.5° |
| CAQ | CBB | H19 | 110.8° | 110.6° |
| NAR | C | O | 124.2° | 120.0° |
| NAR | C | CA | 114.0° | 120.0° |
| C | NAR | H20 | 122.1° | 120.0° |
| O | C | CA | 121.5° | 120.0° |
| C | CA | N | 106.7° | 109.5° |
| C | CA | CAZ | 116.5° | 109.5° |
| C | CA | H2 | 104.7° | 109.5° |
| CAQ | CAT | N | 115.5° | 120.0° |
| CAQ | CAT | OAA | 120.1° | 120.0° |
| CAT | CAQ | H17 | 110.3° | 109.5° |
| CAT | CAQ | H18 | 110.2° | 109.5° |
| N | CAT | OAA | 124.3° | 120.0° |
| CAT | N | CA | 121.1° | 120.0° |
| CAT | N | H1 | 119.4° | 120.0° |
| N | CA | CAZ | 116.8° | 109.5° |
| CA | N | H1 | 119.5° | 120.1° |
| N | CA | H2 | 105.1° | 109.5° |
| CA | CAZ | CAI | 117.0° | 119.9° |
| CA | CAZ | CAJ | 124.6° | 119.8° |
| CAZ | CA | H2 | 105.8° | 109.4° |
| CAI | CAZ | CAJ | 118.4° | 120.3° |
| CAZ | CAI | CAG | 122.0° | 120.1° |
| CAZ | CAI | H5 | 119.0° | 119.9° |
| CAZ | CAJ | CAH | 119.9° | 120.1° |
| CAZ | CAJ | H6 | 120.0° | 120.0° |
| CAI | CAG | CAX | 120.0° | 119.9° |
| CAI | CAG | H3 | 120.0° | 120.0° |
| CAG | CAI | H5 | 119.0° | 120.0° |
| CAJ | CAH | CAX | 121.4° | 119.9° |
| CAJ | CAH | H4 | 119.3° | 120.1° |
| CAH | CAJ | H6 | 120.0° | 119.9° |
| CAG | CAX | CAH | 118.2° | 119.8° |
| CAG | CAX | CAY | 120.9° | 120.1° |
| CAX | CAG | H3 | 119.9° | 120.1° |
| CAH | CAX | CAY | 120.6° | 120.1° |
| CAX | CAH | H4 | 119.3° | 120.0° |
| CAX | CAY | CAL | 125.8° | 120.1° |
| CAX | CAY | CAK | 115.3° | 120.1° |
| CAL | CAY | CAK | 118.6° | 119.9° |
| CAY | CAL | CAW | 119.3° | 119.9° |
| CAY | CAL | H8 | 120.4° | 120.0° |
| CAY | CAK | CAV | 121.4° | 119.9° |
| CAY | CAK | H7 | 119.3° | 120.1° |
| CAL | CAW | FAE | 120.8° | 119.9° |
| CAL | CAW | CBA | 121.4° | 120.1° |
| CAW | CAL | H8 | 120.3° | 120.1° |
| CAK | CAV | CBA | 119.3° | 120.0° |
| CAK | CAV | FAD | 123.1° | 120.0° |
| CAV | CAK | H7 | 119.3° | 120.0° |
| FAE | CAW | CBA | 117.7° | 120.0° |
| CAW | CBA | CAV | 119.8° | 120.2° |
| CAW | CBA | FAF | 119.5° | 119.9° |
| CBA | CAV | FAD | 117.6° | 120.0° |
| CAV | CBA | FAF | 120.7° | 119.9° |
| H9 | CAM | H10 | 109.5° | 110.6° |
| H11 | CAN | H12 | 109.4° | 110.0° |
| H13 | CAO | H14 | 109.5° | 110.8° |
| H15 | CAP | H16 | 109.5° | 110.0° |
| H17 | CAQ | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAM | CAO | H9 | 119.1° | 118.6° |
| CAN | CAM | CAO | H10 | 119.2° | 118.7° |
| CAM | CAN | CAP | H11 | 119.1° | 119.3° |
| CAM | CAN | CAP | H12 | 119.1° | 119.3° |
| CAN | CAM | CAO | CBB | 17.3° | 37.9° |
| CAM | CAN | CAP | CBB | 43.7° | 0.0° |
| CAN | CAM | H9 | H10 | 122.5° | 122.6° |
| CAM | CAN | H11 | H12 | 122.6° | 121.4° |
| CAN | CAM | CAO | H13 | 136.3° | 156.3° |
| CAN | CAM | CAO | H14 | 101.7° | 80.4° |
| CAM | CAN | CAP | H15 | 74.6° | 119.3° |
| CAM | CAN | CAP | H16 | 162.0° | 119.3° |
| CAO | CAM | CAN | CAP | 16.0° | 23.6° |
| CAM | CAO | CBB | H13 | 119.0° | 118.3° |
| CAM | CAO | CBB | H14 | 119.0° | 118.3° |
| CAM | CAO | CBB | CAP | 44.6° | 37.9° |
| CAM | CAO | CBB | CAQ | 163.5° | 156.6° |
| CAO | CAM | H9 | H10 | 122.4° | 122.6° |
| CAO | CAM | CAN | H11 | 135.1° | 95.7° |
| CAO | CAM | CAN | H12 | 103.1° | 142.9° |
| CAM | CAO | H13 | H14 | 122.8° | 123.3° |
| CAM | CAO | CBB | H19 | 72.6° | 80.7° |
| CAN | CAP | CBB | CAO | 53.9° | 23.6° |
| CAN | CAP | CBB | H15 | 118.3° | 119.3° |
| CAN | CAP | CBB | H16 | 118.3° | 119.3° |
| CAN | CAP | CBB | CAQ | 171.9° | 142.2° |
| CAP | CAN | CAM | H9 | 135.1° | 95.0° |
| CAP | CAN | CAM | H10 | 103.1° | 142.3° |
| CAP | CAN | H11 | H12 | 122.6° | 121.4° |
| CAN | CAP | H15 | H16 | 124.8° | 121.5° |
| CAN | CAP | CBB | H19 | 63.0° | 95.1° |
| CAO | CBB | CAP | CAQ | 118.0° | 118.7° |
| CAO | CBB | CAP | H19 | 116.9° | 118.7° |
| CAO | CBB | CAQ | H19 | 124.0° | 122.6° |
| CAO | CBB | CAQ | CAT | 59.1° | 175.0° |
| CBB | CAO | CAM | H9 | 101.8° | 80.7° |
| CBB | CAO | CAM | H10 | 136.5° | 156.6° |
| CBB | CAO | H13 | H14 | 122.8° | 123.4° |
| CAO | CBB | CAP | H15 | 64.4° | 95.7° |
| CAO | CBB | CAP | H16 | 172.2° | 142.9° |
| CAO | CBB | CAQ | H17 | 60.4° | 65.0° |
| CAO | CBB | CAQ | H18 | 178.6° | 55.0° |
| CAP | CBB | CAQ | H19 | 125.5° | 122.7° |
| CAP | CBB | CAQ | CAT | 169.7° | 70.2° |
| CBB | CAP | CAN | H11 | 162.8° | 119.3° |
| CBB | CAP | CAN | H12 | 75.4° | 119.3° |
| CAP | CBB | CAO | H13 | 163.6° | 156.2° |
| CAP | CBB | CAO | H14 | 74.5° | 80.4° |
| CBB | CAP | H15 | H16 | 124.8° | 121.4° |
| CAP | CBB | CAQ | H17 | 50.2° | 49.7° |
| CAP | CBB | CAQ | H18 | 70.9° | 169.8° |
| OAC | NAR | C | H20 | 180.0° | 180.0° |
| OAC | NAR | C | O | 6.0° | 0.0° |
| OAC | NAR | C | CA | 179.9° | 180.0° |
| CBB | CAQ | CAT | H17 | 119.5° | 119.9° |
| CBB | CAQ | CAT | H18 | 119.5° | 120.0° |
| CBB | CAQ | CAT | N | 114.8° | 180.0° |
| CBB | CAQ | CAT | OAA | 61.7° | 0.0° |
| CAQ | CBB | CAO | H13 | 77.5° | 85.1° |
| CAQ | CBB | CAO | H14 | 44.4° | 38.3° |
| CAQ | CBB | CAP | H15 | 53.6° | 22.9° |
| CAQ | CBB | CAP | H16 | 69.8° | 98.4° |
| CBB | CAQ | H17 | H18 | 121.5° | 120.0° |
| NAR | C | O | CA | 173.7° | 180.0° |
| NAR | C | CA | N | 121.0° | 180.0° |
| NAR | C | CA | CAZ | 106.4° | 60.0° |
| NAR | C | CA | H2 | 9.9° | 60.0° |
| C | NAR | OAC | H21 | 2.7° | 180.0° |
| O | C | CA | N | 53.3° | 0.0° |
| O | C | CA | CAZ | 79.3° | 120.0° |
| O | C | CA | H2 | 164.3° | 120.0° |
| O | C | NAR | H20 | 174.0° | 180.0° |
| C | CA | N | CAT | 122.0° | 85.2° |
| C | CA | N | CAZ | 132.4° | 120.0° |
| C | CA | N | H2 | 110.8° | 120.1° |
| C | CA | CAZ | H2 | 115.8° | 120.0° |
| C | CA | CAZ | CAI | 69.4° | 100.0° |
| C | CA | CAZ | CAJ | 113.8° | 80.0° |
| C | CA | N | H1 | 57.9° | 94.9° |
| CA | C | NAR | H20 | 0.1° | 0.0° |
| CAQ | CAT | N | OAA | 176.3° | 179.9° |
| CAQ | CAT | N | CA | 171.0° | 180.0° |
| CAQ | CAT | N | H1 | 8.9° | 0.2° |
| CAT | CAQ | H17 | H18 | 121.4° | 120.0° |
| CAT | CAQ | CBB | H19 | 64.9° | 52.4° |
| CAT | N | CA | H1 | 180.0° | 179.8° |
| CAT | N | CA | CAZ | 105.6° | 154.8° |
| CAT | N | CA | H2 | 11.3° | 34.8° |
| N | CAT | CAQ | H17 | 4.7° | 60.0° |
| N | CAT | CAQ | H18 | 125.7° | 60.1° |
| OAA | CAT | N | CA | 5.2° | 0.1° |
| OAA | CAT | N | H1 | 174.8° | 179.7° |
| OAA | CAT | CAQ | H17 | 178.8° | 119.9° |
| OAA | CAT | CAQ | H18 | 57.8° | 120.0° |
| N | CA | CAZ | H2 | 116.5° | 120.0° |
| N | CA | CAZ | CAI | 162.8° | 140.0° |
| N | CA | CAZ | CAJ | 14.0° | 40.0° |
| CA | CAZ | CAI | CAJ | 177.1° | 180.0° |
| CA | CAZ | CAI | CAG | 176.9° | 180.0° |
| CA | CAZ | CAJ | CAH | 176.9° | 179.7° |
| CAZ | CA | N | H1 | 74.5° | 25.1° |
| CA | CAZ | CAI | H5 | 3.1° | 0.0° |
| CA | CAZ | CAJ | H6 | 3.1° | 0.3° |
| CAZ | CAI | CAG | H5 | 180.0° | 179.9° |
| CAI | CAZ | CAJ | CAH | 0.1° | 0.3° |
| CAZ | CAI | CAG | CAX | 1.3° | 0.0° |
| CAI | CAZ | CA | H2 | 46.4° | 20.0° |
| CAZ | CAI | CAG | H3 | 178.7° | 179.7° |
| CAI | CAZ | CAJ | H6 | 179.9° | 179.7° |
| CAJ | CAZ | CAI | CAG | 0.2° | 0.0° |
| CAZ | CAJ | CAH | H6 | 180.0° | 179.4° |
| CAZ | CAJ | CAH | CAX | 0.7° | 0.6° |
| CAJ | CAZ | CA | H2 | 130.5° | 160.0° |
| CAZ | CAJ | CAH | H4 | 179.3° | 180.0° |
| CAJ | CAZ | CAI | H5 | 179.8° | 179.9° |
| CAI | CAG | CAX | H3 | 180.0° | 179.8° |
| CAI | CAG | CAX | CAH | 2.0° | 0.2° |
| CAI | CAG | CAX | CAY | 176.2° | 179.7° |
| CAJ | CAH | CAX | CAG | 1.8° | 0.5° |
| CAJ | CAH | CAX | H4 | 180.0° | 179.5° |
| CAJ | CAH | CAX | CAY | 176.0° | 179.4° |
| CAG | CAX | CAH | CAY | 174.2° | 179.9° |
| CAG | CAX | CAY | CAL | 128.8° | 180.0° |
| CAG | CAX | CAY | CAK | 57.3° | 0.1° |
| CAG | CAX | CAH | H4 | 178.2° | 180.0° |
| CAX | CAG | CAI | H5 | 178.7° | 180.0° |
| CAH | CAX | CAY | CAL | 57.1° | 0.1° |
| CAH | CAX | CAY | CAK | 116.8° | 180.0° |
| CAH | CAX | CAG | H3 | 178.0° | 180.0° |
| CAX | CAH | CAJ | H6 | 179.3° | 180.0° |
| CAX | CAY | CAL | CAK | 173.8° | 179.9° |
| CAX | CAY | CAL | CAW | 177.6° | 179.5° |
| CAX | CAY | CAK | CAV | 177.6° | 180.0° |
| CAY | CAX | CAG | H3 | 3.8° | 0.1° |
| CAY | CAX | CAH | H4 | 4.0° | 0.1° |
| CAX | CAY | CAK | H7 | 2.4° | 0.2° |
| CAX | CAY | CAL | H8 | 2.4° | 0.3° |
| CAY | CAL | CAW | H8 | 180.0° | 179.2° |
| CAL | CAY | CAK | CAV | 3.2° | 0.1° |
| CAY | CAL | CAW | FAE | 177.3° | 179.2° |
| CAY | CAL | CAW | CBA | 2.2° | 0.8° |
| CAL | CAY | CAK | H7 | 176.8° | 179.7° |
| CAK | CAY | CAL | CAW | 3.9° | 0.6° |
| CAY | CAK | CAV | H7 | 180.0° | 179.8° |
| CAY | CAK | CAV | CBA | 0.7° | 0.2° |
| CAY | CAK | CAV | FAD | 179.4° | 179.8° |
| CAK | CAY | CAL | H8 | 176.1° | 179.8° |
| CAL | CAW | FAE | CBA | 179.5° | 180.0° |
| CAL | CAW | CBA | CAV | 0.4° | 0.5° |
| CAL | CAW | CBA | FAF | 178.6° | 179.5° |
| CAK | CAV | CBA | CAW | 1.1° | 0.0° |
| CAK | CAV | CBA | FAD | 179.9° | 180.0° |
| CAK | CAV | CBA | FAF | 179.3° | 180.0° |
| FAE | CAW | CBA | CAV | 179.9° | 179.4° |
| FAE | CAW | CBA | FAF | 1.9° | 0.5° |
| FAE | CAW | CAL | H8 | 2.6° | 0.0° |
| CAW | CBA | CAV | FAF | 178.1° | 180.0° |
| CAW | CBA | CAV | FAD | 178.8° | 180.0° |
| CBA | CAW | CAL | H8 | 177.8° | 180.0° |
| CBA | CAV | CAK | H7 | 179.3° | 180.0° |
| FAD | CAV | CBA | FAF | 0.6° | 0.0° |
| FAD | CAV | CAK | H7 | 0.6° | 0.0° |
| H1 | N | CA | H2 | 168.7° | 145.0° |
| H3 | CAG | CAI | H5 | 1.3° | 0.2° |
| H4 | CAH | CAJ | H6 | 0.7° | 0.6° |
| H9 | CAM | CAN | H11 | 105.7° | 145.7° |
| H9 | CAM | CAN | H12 | 16.0° | 24.3° |
| H9 | CAM | CAO | H13 | 17.2° | 37.6° |
| H9 | CAM | CAO | H14 | 139.2° | 161.0° |
| H10 | CAM | CAN | H11 | 16.0° | 23.0° |
| H10 | CAM | CAN | H12 | 137.7° | 98.4° |
| H10 | CAM | CAO | H13 | 104.5° | 85.1° |
| H10 | CAM | CAO | H14 | 17.5° | 38.3° |
| H11 | CAN | CAP | H15 | 44.5° | 0.1° |
| H11 | CAN | CAP | H16 | 78.9° | 121.4° |
| H12 | CAN | CAP | H15 | 166.3° | 121.4° |
| H12 | CAN | CAP | H16 | 42.9° | 0.0° |
| H13 | CAO | CBB | H19 | 46.4° | 37.6° |
| H14 | CAO | CBB | H19 | 168.3° | 161.0° |
| H15 | CAP | CBB | H19 | 178.7° | 145.6° |
| H16 | CAP | CBB | H19 | 55.3° | 24.3° |
| H17 | CAQ | CBB | H19 | 175.6° | 172.4° |
| H18 | CAQ | CBB | H19 | 54.6° | 67.6° |
| H20 | NAR | OAC | H21 | 177.3° | 0.0° |
