36J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAR | sing | 1.36Å | 1.32Å | |
| CAR | CAH | doub | 1.39Å | 1.37Å | Aromatic |
| CAR | CAI | sing | 1.39Å | 1.37Å | Aromatic |
| CAH | CAS | sing | 1.39Å | 1.37Å | Aromatic |
| CAI | CAT | doub | 1.38Å | 1.37Å | Aromatic |
| CAS | OAD | sing | 1.36Å | 1.34Å | |
| CAS | CAU | doub | 1.40Å | 1.41Å | Aromatic |
| CAT | CAU | sing | 1.42Å | 1.41Å | Aromatic |
| CAT | CAG | sing | 1.47Å | 1.38Å | |
| CAU | CAQ | sing | 1.46Å | 1.41Å | |
| CAG | CAF | doub | 1.31Å | 1.37Å | |
| CAF | CAJ | sing | 1.51Å | 1.38Å | |
| CAQ | OAB | doub | 1.21Å | 1.20Å | |
| CAQ | OAP | sing | 1.35Å | 1.30Å | |
| CAJ | CAK | sing | 1.53Å | 1.48Å | |
| OAP | CAV | sing | 1.46Å | 1.39Å | |
| CAK | CAN | sing | 1.53Å | 1.50Å | |
| CAA | CAV | sing | 1.53Å | 1.51Å | |
| CAV | CAM | sing | 1.53Å | 1.51Å | |
| CAN | CAW | sing | 1.53Å | 1.46Å | |
| CAM | CAL | sing | 1.53Å | 1.49Å | |
| CAW | OAE | sing | 1.43Å | 1.33Å | |
| CAW | CAO | sing | 1.53Å | 1.54Å | |
| CAL | CAO | sing | 1.53Å | 1.53Å | |
| CAO | H1 | sing | 1.09Å | 1.10Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAV | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| OAD | H11 | sing | 0.97Å | 0.95Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| OAC | H13 | sing | 0.97Å | 0.95Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| CAG | H15 | sing | 1.10Å | 1.08Å | |
| CAF | H16 | sing | 1.08Å | 1.08Å | |
| CAJ | H17 | sing | 1.09Å | 1.10Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAK | H19 | sing | 1.09Å | 1.10Å | |
| CAK | H20 | sing | 1.09Å | 1.10Å | |
| CAN | H21 | sing | 1.09Å | 1.10Å | |
| CAN | H22 | sing | 1.09Å | 1.10Å | |
| CAW | H23 | sing | 1.09Å | 1.10Å | |
| OAE | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAR | CAH | 121.4° | 119.9° |
| OAC | CAR | CAI | 121.5° | 119.8° |
| CAR | OAC | H13 | 109.5° | 114.0° |
| CAH | CAR | CAI | 117.0° | 120.3° |
| CAR | CAH | CAS | 121.5° | 120.3° |
| CAR | CAH | H12 | 119.2° | 120.0° |
| CAR | CAI | CAT | 123.5° | 120.0° |
| CAR | CAI | H14 | 118.3° | 119.7° |
| CAH | CAS | OAD | 116.8° | 119.5° |
| CAH | CAS | CAU | 122.3° | 120.2° |
| CAS | CAH | H12 | 119.3° | 119.7° |
| CAI | CAT | CAU | 120.2° | 119.8° |
| CAI | CAT | CAG | 115.2° | 123.4° |
| CAT | CAI | H14 | 118.3° | 120.3° |
| OAD | CAS | CAU | 120.9° | 120.3° |
| CAS | OAD | H11 | 109.5° | 114.1° |
| CAS | CAU | CAT | 115.5° | 119.0° |
| CAS | CAU | CAQ | 122.2° | 122.7° |
| CAU | CAT | CAG | 124.6° | 116.8° |
| CAT | CAU | CAQ | 122.2° | 118.3° |
| CAT | CAG | CAF | 122.2° | 125.6° |
| CAT | CAG | H15 | 118.9° | 117.2° |
| CAU | CAQ | OAB | 121.2° | 119.5° |
| CAU | CAQ | OAP | 117.3° | 121.7° |
| CAG | CAF | CAJ | 121.6° | 119.6° |
| CAF | CAG | H15 | 118.9° | 117.2° |
| CAG | CAF | H16 | 119.2° | 121.4° |
| CAF | CAJ | CAK | 110.1° | 109.1° |
| CAJ | CAF | H16 | 119.2° | 119.0° |
| CAF | CAJ | H17 | 109.3° | 109.3° |
| CAF | CAJ | H18 | 109.3° | 109.3° |
| OAB | CAQ | OAP | 121.2° | 118.8° |
| CAQ | OAP | CAV | 118.9° | 116.8° |
| CAJ | CAK | CAN | 113.4° | 110.0° |
| CAK | CAJ | H17 | 109.3° | 109.5° |
| CAK | CAJ | H18 | 109.3° | 109.7° |
| CAJ | CAK | H19 | 108.5° | 108.9° |
| CAJ | CAK | H20 | 108.5° | 109.5° |
| OAP | CAV | CAA | 112.2° | 109.3° |
| OAP | CAV | CAM | 110.0° | 109.6° |
| OAP | CAV | H7 | 107.8° | 109.4° |
| CAK | CAN | CAW | 114.0° | 110.0° |
| CAN | CAK | H19 | 108.5° | 109.2° |
| CAN | CAK | H20 | 108.5° | 109.9° |
| CAK | CAN | H21 | 108.3° | 109.9° |
| CAK | CAN | H22 | 108.3° | 109.3° |
| CAA | CAV | CAM | 113.7° | 109.4° |
| CAA | CAV | H7 | 106.3° | 109.4° |
| CAV | CAA | H8 | 109.5° | 109.5° |
| CAV | CAA | H9 | 109.5° | 109.5° |
| CAV | CAA | H10 | 109.5° | 109.4° |
| CAV | CAM | CAL | 107.3° | 110.5° |
| CAV | CAM | H5 | 110.0° | 109.8° |
| CAV | CAM | H6 | 110.0° | 109.1° |
| CAM | CAV | H7 | 106.3° | 109.6° |
| CAN | CAW | OAE | 107.3° | 110.4° |
| CAN | CAW | CAO | 108.7° | 109.0° |
| CAW | CAN | H21 | 108.3° | 109.4° |
| CAW | CAN | H22 | 108.3° | 109.2° |
| CAN | CAW | H23 | 110.6° | 109.0° |
| CAM | CAL | CAO | 115.0° | 110.0° |
| CAM | CAL | H3 | 108.1° | 108.9° |
| CAM | CAL | H4 | 108.1° | 109.5° |
| CAL | CAM | H5 | 110.0° | 109.4° |
| CAL | CAM | H6 | 110.0° | 108.9° |
| OAE | CAW | CAO | 107.9° | 110.4° |
| OAE | CAW | H23 | 112.7° | 109.0° |
| CAW | OAE | H24 | 109.5° | 114.0° |
| CAW | CAO | CAL | 111.6° | 111.1° |
| CAW | CAO | H1 | 108.9° | 109.2° |
| CAW | CAO | H2 | 108.9° | 109.2° |
| CAO | CAW | H23 | 109.4° | 109.0° |
| CAL | CAO | H1 | 108.9° | 109.3° |
| CAL | CAO | H2 | 108.9° | 109.3° |
| CAO | CAL | H3 | 108.1° | 109.1° |
| CAO | CAL | H4 | 108.1° | 110.4° |
| H1 | CAO | H2 | 109.5° | 108.7° |
| H3 | CAL | H4 | 109.5° | 108.9° |
| H5 | CAM | H6 | 109.5° | 109.1° |
| H8 | CAA | H9 | 109.4° | 109.5° |
| H8 | CAA | H10 | 109.5° | 109.5° |
| H9 | CAA | H10 | 109.5° | 109.4° |
| H17 | CAJ | H18 | 109.5° | 109.8° |
| H19 | CAK | H20 | 109.5° | 109.2° |
| H21 | CAN | H22 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAR | CAH | CAI | 178.2° | 179.8° |
| OAC | CAR | CAH | CAS | 180.0° | 178.2° |
| OAC | CAR | CAI | CAT | 179.5° | 179.0° |
| OAC | CAR | CAH | H12 | 0.0° | 1.8° |
| OAC | CAR | CAI | H14 | 0.5° | 1.0° |
| CAR | CAH | CAS | H12 | 180.0° | 180.0° |
| CAH | CAR | CAI | CAT | 1.4° | 0.8° |
| CAR | CAH | CAS | OAD | 179.7° | 179.5° |
| CAR | CAH | CAS | CAU | 1.2° | 2.4° |
| CAH | CAR | OAC | H13 | 180.0° | 90.1° |
| CAH | CAR | CAI | H14 | 178.6° | 179.2° |
| CAI | CAR | CAH | CAS | 1.8° | 1.6° |
| CAR | CAI | CAT | H14 | 180.0° | 180.0° |
| CAR | CAI | CAT | CAU | 0.2° | 3.9° |
| CAR | CAI | CAT | CAG | 178.1° | 174.9° |
| CAI | CAR | CAH | H12 | 178.2° | 178.4° |
| CAI | CAR | OAC | H13 | 2.0° | 89.7° |
| CAH | CAS | OAD | CAU | 179.1° | 178.1° |
| CAH | CAS | CAU | CAT | 0.0° | 7.0° |
| CAH | CAS | CAU | CAQ | 179.4° | 174.5° |
| CAH | CAS | OAD | H11 | 179.0° | 88.1° |
| CAI | CAT | CAU | CAS | 0.5° | 7.7° |
| CAI | CAT | CAU | CAG | 178.1° | 178.8° |
| CAI | CAT | CAU | CAQ | 178.9° | 173.7° |
| CAI | CAT | CAG | CAF | 56.4° | 19.3° |
| CAI | CAT | CAG | H15 | 123.6° | 158.8° |
| OAD | CAS | CAU | CAT | 179.0° | 174.9° |
| OAD | CAS | CAU | CAQ | 1.6° | 3.6° |
| OAD | CAS | CAH | H12 | 0.3° | 0.5° |
| CAS | CAU | CAT | CAQ | 179.4° | 178.6° |
| CAS | CAU | CAT | CAG | 178.6° | 171.1° |
| CAS | CAU | CAQ | OAB | 1.3° | 147.6° |
| CAS | CAU | CAQ | OAP | 174.5° | 33.4° |
| CAU | CAS | OAD | H11 | 1.9° | 90.0° |
| CAU | CAS | CAH | H12 | 178.8° | 177.6° |
| CAU | CAT | CAG | CAF | 125.4° | 161.9° |
| CAT | CAU | CAQ | OAB | 178.0° | 33.9° |
| CAT | CAU | CAQ | OAP | 4.8° | 145.1° |
| CAU | CAT | CAI | H14 | 179.8° | 176.1° |
| CAU | CAT | CAG | H15 | 54.6° | 20.0° |
| CAG | CAT | CAU | CAQ | 0.8° | 7.4° |
| CAT | CAG | CAF | H15 | 180.0° | 178.1° |
| CAT | CAG | CAF | CAJ | 178.1° | 180.0° |
| CAG | CAT | CAI | H14 | 1.9° | 5.1° |
| CAT | CAG | CAF | H16 | 1.8° | 0.2° |
| CAU | CAQ | OAB | OAP | 173.0° | 179.1° |
| CAU | CAQ | OAP | CAV | 170.4° | 177.8° |
| CAG | CAF | CAJ | H16 | 180.0° | 179.8° |
| CAG | CAF | CAJ | CAK | 138.2° | 52.7° |
| CAG | CAF | CAJ | H17 | 18.2° | 67.1° |
| CAG | CAF | CAJ | H18 | 101.7° | 172.6° |
| CAF | CAJ | CAK | H17 | 120.1° | 119.7° |
| CAF | CAJ | CAK | H18 | 120.1° | 119.7° |
| CAF | CAJ | CAK | CAN | 73.5° | 100.0° |
| CAJ | CAF | CAG | H15 | 1.8° | 1.9° |
| CAF | CAJ | H17 | H18 | 119.7° | 120.0° |
| CAF | CAJ | CAK | H19 | 166.0° | 140.3° |
| CAF | CAJ | CAK | H20 | 47.1° | 20.8° |
| OAB | CAQ | OAP | CAV | 2.8° | 3.1° |
| CAQ | OAP | CAV | CAA | 78.2° | 179.7° |
| CAQ | OAP | CAV | CAM | 154.1° | 59.7° |
| CAQ | OAP | CAV | H7 | 38.6° | 60.5° |
| CAJ | CAK | CAN | H19 | 120.6° | 119.5° |
| CAJ | CAK | CAN | H20 | 120.6° | 120.6° |
| CAJ | CAK | CAN | CAW | 70.1° | 173.9° |
| CAK | CAJ | CAF | H16 | 41.8° | 127.5° |
| CAK | CAJ | H17 | H18 | 119.7° | 120.5° |
| CAJ | CAK | H19 | H20 | 118.2° | 119.6° |
| CAJ | CAK | CAN | H21 | 169.2° | 65.6° |
| CAJ | CAK | CAN | H22 | 50.5° | 54.0° |
| OAP | CAV | CAA | CAM | 125.7° | 120.1° |
| OAP | CAV | CAA | H7 | 117.7° | 119.8° |
| OAP | CAV | CAM | H7 | 116.5° | 120.1° |
| OAP | CAV | CAM | CAL | 62.0° | 117.1° |
| OAP | CAV | CAM | H5 | 178.4° | 3.7° |
| OAP | CAV | CAM | H6 | 57.7° | 123.2° |
| OAP | CAV | CAA | H8 | 180.0° | 179.9° |
| OAP | CAV | CAA | H9 | 60.0° | 59.9° |
| OAP | CAV | CAA | H10 | 60.0° | 60.1° |
| CAK | CAN | CAW | H21 | 120.6° | 120.8° |
| CAK | CAN | CAW | H22 | 120.6° | 119.9° |
| CAK | CAN | CAW | OAE | 80.0° | 29.1° |
| CAK | CAN | CAW | CAO | 163.5° | 150.5° |
| CAN | CAK | CAJ | H17 | 46.6° | 19.6° |
| CAN | CAK | CAJ | H18 | 166.4° | 140.3° |
| CAN | CAK | H19 | H20 | 118.2° | 120.2° |
| CAK | CAN | H21 | H22 | 118.0° | 119.9° |
| CAK | CAN | CAW | H23 | 43.4° | 90.6° |
| CAA | CAV | CAM | H7 | 116.6° | 120.0° |
| CAA | CAV | CAM | CAL | 171.1° | 123.0° |
| CAA | CAV | CAM | H5 | 51.5° | 116.3° |
| CAA | CAV | CAM | H6 | 69.2° | 3.3° |
| CAV | CAA | H8 | H9 | 120.0° | 120.0° |
| CAV | CAA | H8 | H10 | 120.0° | 120.0° |
| CAV | CAA | H9 | H10 | 120.0° | 119.9° |
| CAV | CAM | CAL | H5 | 119.6° | 121.0° |
| CAV | CAM | CAL | H6 | 119.7° | 119.8° |
| CAV | CAM | CAL | CAO | 168.8° | 177.6° |
| CAV | CAM | CAL | H3 | 48.0° | 62.9° |
| CAV | CAM | CAL | H4 | 70.4° | 56.1° |
| CAV | CAM | H5 | H6 | 121.0° | 119.5° |
| CAM | CAV | CAA | H8 | 54.3° | 60.0° |
| CAM | CAV | CAA | H9 | 174.3° | 180.0° |
| CAM | CAV | CAA | H10 | 65.7° | 60.0° |
| CAN | CAW | OAE | CAO | 117.0° | 120.6° |
| CAN | CAW | OAE | H23 | 122.0° | 119.7° |
| CAN | CAW | CAO | H23 | 120.9° | 118.9° |
| CAN | CAW | CAO | CAL | 69.3° | 82.6° |
| CAN | CAW | CAO | H1 | 170.4° | 156.8° |
| CAN | CAW | CAO | H2 | 51.0° | 38.0° |
| CAW | CAN | CAK | H19 | 50.4° | 54.3° |
| CAW | CAN | CAK | H20 | 169.3° | 65.5° |
| CAW | CAN | H21 | H22 | 118.0° | 119.3° |
| CAN | CAW | OAE | H24 | 180.0° | 60.0° |
| CAM | CAL | CAO | CAW | 75.6° | 116.6° |
| CAM | CAL | CAO | H3 | 120.8° | 119.5° |
| CAM | CAL | CAO | H4 | 120.8° | 121.0° |
| CAM | CAL | CAO | H1 | 44.8° | 122.8° |
| CAM | CAL | CAO | H2 | 164.1° | 3.9° |
| CAM | CAL | H3 | H4 | 117.5° | 119.4° |
| CAL | CAM | H5 | H6 | 121.0° | 119.1° |
| CAL | CAM | CAV | H7 | 54.5° | 3.0° |
| OAE | CAW | CAO | H23 | 123.0° | 119.7° |
| OAE | CAW | CAO | CAL | 174.6° | 38.8° |
| OAE | CAW | CAO | H1 | 54.3° | 81.8° |
| OAE | CAW | CAO | H2 | 65.1° | 159.4° |
| OAE | CAW | CAN | H21 | 40.7° | 91.7° |
| OAE | CAW | CAN | H22 | 159.4° | 149.0° |
| CAW | CAO | CAL | H1 | 120.3° | 120.6° |
| CAW | CAO | CAL | H2 | 120.3° | 120.6° |
| CAW | CAO | H1 | H2 | 119.0° | 119.1° |
| CAW | CAO | CAL | H3 | 45.3° | 123.9° |
| CAW | CAO | CAL | H4 | 163.6° | 4.3° |
| CAO | CAW | CAN | H21 | 75.8° | 29.7° |
| CAO | CAW | CAN | H22 | 42.9° | 89.6° |
| CAO | CAW | OAE | H24 | 63.0° | 179.4° |
| CAL | CAO | H1 | H2 | 119.0° | 119.2° |
| CAO | CAL | H3 | H4 | 117.5° | 120.5° |
| CAO | CAL | CAM | H5 | 71.6° | 56.6° |
| CAO | CAL | CAM | H6 | 49.1° | 62.7° |
| CAL | CAO | CAW | H23 | 51.6° | 158.5° |
| H1 | CAO | CAL | H3 | 165.6° | 3.3° |
| H1 | CAO | CAL | H4 | 76.0° | 116.3° |
| H1 | CAO | CAW | H23 | 68.7° | 37.8° |
| H2 | CAO | CAL | H3 | 75.0° | 115.5° |
| H2 | CAO | CAL | H4 | 43.3° | 124.9° |
| H2 | CAO | CAW | H23 | 171.9° | 80.9° |
| H3 | CAL | CAM | H5 | 167.6° | 176.1° |
| H3 | CAL | CAM | H6 | 71.7° | 56.9° |
| H4 | CAL | CAM | H5 | 49.2° | 64.9° |
| H4 | CAL | CAM | H6 | 170.0° | 175.8° |
| H5 | CAM | CAV | H7 | 65.1° | 123.8° |
| H6 | CAM | CAV | H7 | 174.2° | 116.7° |
| H7 | CAV | CAA | H8 | 62.3° | 60.1° |
| H7 | CAV | CAA | H9 | 57.7° | 60.0° |
| H7 | CAV | CAA | H10 | 177.7° | 179.9° |
| H8 | CAA | H9 | H10 | 120.0° | 120.0° |
| H15 | CAG | CAF | H16 | 178.2° | 177.9° |
| H16 | CAF | CAJ | H17 | 161.9° | 112.7° |
| H16 | CAF | CAJ | H18 | 78.3° | 7.5° |
| H17 | CAJ | CAK | H19 | 73.9° | 100.1° |
| H17 | CAJ | CAK | H20 | 167.2° | 140.5° |
| H18 | CAJ | CAK | H19 | 45.9° | 20.5° |
| H18 | CAJ | CAK | H20 | 73.0° | 98.9° |
| H19 | CAK | CAN | H21 | 70.2° | 174.8° |
| H19 | CAK | CAN | H22 | 171.1° | 65.5° |
| H20 | CAK | CAN | H21 | 48.7° | 55.0° |
| H20 | CAK | CAN | H22 | 70.1° | 174.7° |
| H21 | CAN | CAW | H23 | 164.0° | 148.6° |
| H22 | CAN | CAW | H23 | 77.3° | 29.3° |
| H23 | CAW | OAE | H24 | 58.0° | 59.7° |
