0JR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAT | doub | 1.21Å | 1.23Å | |
| CAT | CAO | sing | 1.51Å | 1.53Å | |
| CAT | NAQ | sing | 1.35Å | 1.34Å | |
| CAO | CAN | sing | 1.53Å | 1.52Å | |
| CAM | NAQ | sing | 1.47Å | 1.48Å | |
| CAM | CAL | sing | 1.51Å | 1.40Å | |
| OAG | CAV | sing | 1.43Å | 1.43Å | |
| CAL | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| CAL | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| NAR | CAN | sing | 1.47Å | 1.48Å | |
| NAR | CAU | sing | 1.35Å | 1.36Å | |
| CAV | CAU | sing | 1.51Å | 1.54Å | |
| CAV | CAW | sing | 1.53Å | 1.55Å | |
| C2 | N1 | sing | 1.32Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| OAS | CAP | sing | 1.43Å | 1.42Å | |
| CAP | CAW | sing | 1.53Å | 1.54Å | |
| CAU | OAE | doub | 1.21Å | 1.23Å | |
| N1 | C6 | doub | 1.32Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| CAW | CAB | sing | 1.53Å | 1.53Å | |
| CAW | CAC | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| NAQ | H7 | sing | 0.97Å | 1.00Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| NAR | H12 | sing | 0.97Å | 1.00Å | |
| CAV | H13 | sing | 1.09Å | 1.10Å | |
| OAG | H14 | sing | 0.97Å | 0.95Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CAC | H18 | sing | 1.09Å | 1.10Å | |
| CAC | H19 | sing | 1.09Å | 1.10Å | |
| CAC | H20 | sing | 1.09Å | 1.10Å | |
| CAP | H21 | sing | 1.09Å | 1.10Å | |
| CAP | H22 | sing | 1.09Å | 1.10Å | |
| OAS | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAT | CAO | 121.9° | 120.0° |
| OAD | CAT | NAQ | 123.9° | 120.0° |
| CAO | CAT | NAQ | 114.2° | 120.0° |
| CAT | CAO | CAN | 109.8° | 109.5° |
| CAT | CAO | H8 | 109.4° | 109.5° |
| CAT | CAO | H9 | 109.4° | 109.5° |
| CAT | NAQ | CAM | 122.6° | 120.0° |
| CAT | NAQ | H7 | 118.7° | 120.0° |
| CAO | CAN | NAR | 112.8° | 109.5° |
| CAN | CAO | H8 | 109.4° | 109.4° |
| CAN | CAO | H9 | 109.4° | 109.4° |
| CAO | CAN | H10 | 108.6° | 109.5° |
| CAO | CAN | H11 | 108.6° | 109.5° |
| NAQ | CAM | CAL | 110.7° | 109.5° |
| NAQ | CAM | H5 | 109.2° | 109.5° |
| NAQ | CAM | H6 | 109.2° | 109.4° |
| CAM | NAQ | H7 | 118.7° | 120.0° |
| CAM | CAL | C2 | 122.6° | 120.4° |
| CAM | CAL | C4 | 118.4° | 120.4° |
| CAL | CAM | H5 | 109.2° | 109.5° |
| CAL | CAM | H6 | 109.2° | 109.5° |
| OAG | CAV | CAU | 107.7° | 109.5° |
| OAG | CAV | CAW | 110.7° | 109.5° |
| OAG | CAV | H13 | 109.4° | 109.5° |
| CAV | OAG | H14 | 109.5° | 114.0° |
| C2 | CAL | C4 | 119.0° | 119.2° |
| CAL | C2 | N1 | 121.6° | 120.8° |
| CAL | C2 | H4 | 119.2° | 119.6° |
| CAL | C4 | C5 | 119.8° | 118.4° |
| CAL | C4 | H1 | 120.1° | 120.8° |
| CAN | NAR | CAU | 124.0° | 120.0° |
| NAR | CAN | H10 | 108.7° | 109.4° |
| NAR | CAN | H11 | 108.6° | 109.4° |
| CAN | NAR | H12 | 118.0° | 119.9° |
| NAR | CAU | CAV | 115.8° | 120.0° |
| NAR | CAU | OAE | 124.2° | 120.0° |
| CAU | NAR | H12 | 118.0° | 120.0° |
| CAU | CAV | CAW | 113.2° | 109.4° |
| CAV | CAU | OAE | 119.8° | 120.0° |
| CAU | CAV | H13 | 107.9° | 109.5° |
| CAV | CAW | CAP | 112.1° | 109.5° |
| CAV | CAW | CAB | 108.0° | 109.5° |
| CAV | CAW | CAC | 111.4° | 109.5° |
| CAW | CAV | H13 | 107.8° | 109.4° |
| C2 | N1 | C6 | 118.1° | 121.7° |
| N1 | C2 | H4 | 119.2° | 119.6° |
| C4 | C5 | C6 | 120.7° | 119.1° |
| C5 | C4 | H1 | 120.1° | 120.8° |
| C4 | C5 | H2 | 119.6° | 120.4° |
| OAS | CAP | CAW | 108.0° | 109.5° |
| OAS | CAP | H21 | 109.8° | 109.5° |
| OAS | CAP | H22 | 109.8° | 109.5° |
| CAP | OAS | H23 | 109.5° | 114.1° |
| CAP | CAW | CAB | 104.0° | 109.5° |
| CAP | CAW | CAC | 111.9° | 109.5° |
| CAW | CAP | H21 | 109.8° | 109.5° |
| CAW | CAP | H22 | 109.8° | 109.5° |
| N1 | C6 | C5 | 120.7° | 120.8° |
| N1 | C6 | H3 | 119.6° | 119.6° |
| C6 | C5 | H2 | 119.6° | 120.4° |
| C5 | C6 | H3 | 119.6° | 119.6° |
| CAB | CAW | CAC | 109.1° | 109.5° |
| CAW | CAB | H15 | 109.5° | 109.5° |
| CAW | CAB | H16 | 109.5° | 109.5° |
| CAW | CAB | H17 | 109.5° | 109.5° |
| CAW | CAC | H18 | 109.5° | 109.5° |
| CAW | CAC | H19 | 109.5° | 109.5° |
| CAW | CAC | H20 | 109.5° | 109.5° |
| H5 | CAM | H6 | 109.5° | 109.5° |
| H8 | CAO | H9 | 109.5° | 109.4° |
| H10 | CAN | H11 | 109.4° | 109.5° |
| H15 | CAB | H16 | 109.4° | 109.4° |
| H15 | CAB | H17 | 109.5° | 109.4° |
| H16 | CAB | H17 | 109.5° | 109.5° |
| H18 | CAC | H19 | 109.5° | 109.4° |
| H18 | CAC | H20 | 109.5° | 109.5° |
| H19 | CAC | H20 | 109.4° | 109.5° |
| H21 | CAP | H22 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAT | CAO | NAQ | 177.4° | 179.9° |
| OAD | CAT | CAO | CAN | 103.8° | 0.0° |
| OAD | CAT | NAQ | CAM | 3.6° | 0.1° |
| OAD | CAT | NAQ | H7 | 176.4° | 180.0° |
| OAD | CAT | CAO | H8 | 16.3° | 120.0° |
| OAD | CAT | CAO | H9 | 136.2° | 120.0° |
| CAT | CAO | CAN | H8 | 120.0° | 120.1° |
| CAT | CAO | CAN | H9 | 120.0° | 120.0° |
| CAO | CAT | NAQ | CAM | 179.1° | 180.0° |
| CAT | CAO | CAN | NAR | 56.0° | 180.0° |
| CAO | CAT | NAQ | H7 | 0.9° | 0.1° |
| CAT | CAO | H8 | H9 | 119.8° | 120.1° |
| CAT | CAO | CAN | H10 | 176.5° | 60.0° |
| CAT | CAO | CAN | H11 | 64.5° | 60.0° |
| NAQ | CAT | CAO | CAN | 73.6° | 180.0° |
| CAT | NAQ | CAM | H7 | 180.0° | 179.9° |
| CAT | NAQ | CAM | CAL | 140.8° | 180.0° |
| CAT | NAQ | CAM | H5 | 20.6° | 60.0° |
| CAT | NAQ | CAM | H6 | 99.0° | 60.0° |
| NAQ | CAT | CAO | H8 | 166.4° | 60.0° |
| NAQ | CAT | CAO | H9 | 46.5° | 60.1° |
| CAO | CAN | NAR | H10 | 120.5° | 120.0° |
| CAO | CAN | NAR | H11 | 120.5° | 120.0° |
| CAO | CAN | NAR | CAU | 105.3° | 180.0° |
| CAN | CAO | H8 | H9 | 119.9° | 119.9° |
| CAO | CAN | H10 | H11 | 118.5° | 120.0° |
| CAO | CAN | NAR | H12 | 74.6° | 0.0° |
| NAQ | CAM | CAL | H5 | 120.2° | 120.0° |
| NAQ | CAM | CAL | H6 | 120.2° | 120.0° |
| NAQ | CAM | CAL | C2 | 16.7° | 90.0° |
| NAQ | CAM | CAL | C4 | 163.1° | 90.2° |
| NAQ | CAM | H5 | H6 | 119.5° | 120.0° |
| CAM | CAL | C2 | C4 | 179.8° | 179.7° |
| CAM | CAL | C2 | N1 | 179.8° | 180.0° |
| CAM | CAL | C4 | C5 | 179.6° | 179.7° |
| CAM | CAL | C4 | H1 | 0.4° | 0.0° |
| CAM | CAL | C2 | H4 | 0.2° | 0.1° |
| CAL | CAM | H5 | H6 | 119.4° | 120.0° |
| CAL | CAM | NAQ | H7 | 39.2° | 0.0° |
| OAG | CAV | CAU | NAR | 142.3° | 169.0° |
| OAG | CAV | CAU | CAW | 122.7° | 120.0° |
| OAG | CAV | CAU | H13 | 118.0° | 120.0° |
| OAG | CAV | CAW | H13 | 119.7° | 120.0° |
| OAG | CAV | CAW | CAP | 70.5° | 65.7° |
| OAG | CAV | CAU | OAE | 33.2° | 10.7° |
| OAG | CAV | CAW | CAB | 175.5° | 54.3° |
| OAG | CAV | CAW | CAC | 55.7° | 174.3° |
| CAL | C2 | N1 | H4 | 180.0° | 179.9° |
| C2 | CAL | C4 | C5 | 0.2° | 0.5° |
| CAL | C2 | N1 | C6 | 0.2° | 0.0° |
| C2 | CAL | C4 | H1 | 179.8° | 179.7° |
| C2 | CAL | CAM | H5 | 103.5° | 30.0° |
| C2 | CAL | CAM | H6 | 136.9° | 150.0° |
| C4 | CAL | C2 | N1 | 0.1° | 0.3° |
| CAL | C4 | C5 | H1 | 180.0° | 179.7° |
| CAL | C4 | C5 | C6 | 0.7° | 0.5° |
| CAL | C4 | C5 | H2 | 179.3° | 179.8° |
| C4 | CAL | C2 | H4 | 180.0° | 179.8° |
| C4 | CAL | CAM | H5 | 76.7° | 149.7° |
| C4 | CAL | CAM | H6 | 42.9° | 29.7° |
| CAN | NAR | CAU | H12 | 180.0° | 180.0° |
| CAN | NAR | CAU | CAV | 178.8° | 175.5° |
| CAN | NAR | CAU | OAE | 5.8° | 4.8° |
| NAR | CAN | CAO | H8 | 64.0° | 60.0° |
| NAR | CAN | CAO | H9 | 176.1° | 60.0° |
| NAR | CAN | H10 | H11 | 118.5° | 119.9° |
| NAR | CAU | CAV | OAE | 175.5° | 179.7° |
| NAR | CAU | CAV | CAW | 95.0° | 71.0° |
| CAU | NAR | CAN | H10 | 134.2° | 60.0° |
| CAU | NAR | CAN | H11 | 15.2° | 60.0° |
| NAR | CAU | CAV | H13 | 24.3° | 49.0° |
| CAU | CAV | CAW | H13 | 119.3° | 120.0° |
| CAU | CAV | CAW | CAP | 168.5° | 54.3° |
| CAU | CAV | CAW | CAB | 54.5° | 174.3° |
| CAU | CAV | CAW | CAC | 65.2° | 65.7° |
| CAV | CAU | NAR | H12 | 1.2° | 4.5° |
| CAU | CAV | OAG | H14 | 14.1° | 60.0° |
| CAV | CAW | CAP | OAS | 70.7° | 180.0° |
| CAV | CAW | CAP | CAB | 116.4° | 120.0° |
| CAV | CAW | CAP | CAC | 126.0° | 120.0° |
| CAW | CAV | CAU | OAE | 89.5° | 109.3° |
| CAV | CAW | CAB | CAC | 121.2° | 120.0° |
| CAW | CAV | OAG | H14 | 110.1° | 60.0° |
| CAV | CAW | CAB | H15 | 180.0° | 53.3° |
| CAV | CAW | CAB | H16 | 60.0° | 173.2° |
| CAV | CAW | CAB | H17 | 60.0° | 66.7° |
| CAV | CAW | CAC | H18 | 180.0° | 65.4° |
| CAV | CAW | CAC | H19 | 60.0° | 174.7° |
| CAV | CAW | CAC | H20 | 60.0° | 54.6° |
| CAV | CAW | CAP | H21 | 169.5° | 60.0° |
| CAV | CAW | CAP | H22 | 49.1° | 60.0° |
| C2 | N1 | C6 | C5 | 0.7° | 0.0° |
| C2 | N1 | C6 | H3 | 179.3° | 180.0° |
| C4 | C5 | C6 | N1 | 1.0° | 0.2° |
| C4 | C5 | C6 | H2 | 180.0° | 179.7° |
| C4 | C5 | C6 | H3 | 179.0° | 179.7° |
| OAS | CAP | CAW | H21 | 119.8° | 120.0° |
| OAS | CAP | CAW | H22 | 119.8° | 120.0° |
| OAS | CAP | CAW | CAB | 172.9° | 60.0° |
| OAS | CAP | CAW | CAC | 55.3° | 60.0° |
| OAS | CAP | H21 | H22 | 120.6° | 120.0° |
| CAP | CAW | CAB | CAC | 119.5° | 120.0° |
| CAP | CAW | CAV | H13 | 49.1° | 174.3° |
| CAP | CAW | CAB | H15 | 60.7° | 173.3° |
| CAP | CAW | CAB | H16 | 59.3° | 66.8° |
| CAP | CAW | CAB | H17 | 179.3° | 53.3° |
| CAP | CAW | CAC | H18 | 53.6° | 54.6° |
| CAP | CAW | CAC | H19 | 173.6° | 65.3° |
| CAP | CAW | CAC | H20 | 66.4° | 174.6° |
| CAW | CAP | H21 | H22 | 120.7° | 120.0° |
| CAW | CAP | OAS | H23 | 180.0° | 180.0° |
| OAE | CAU | NAR | H12 | 174.1° | 175.2° |
| OAE | CAU | CAV | H13 | 151.2° | 130.8° |
| N1 | C6 | C5 | H3 | 180.0° | 180.0° |
| N1 | C6 | C5 | H2 | 179.0° | 179.9° |
| C6 | N1 | C2 | H4 | 179.8° | 179.9° |
| C6 | C5 | C4 | H1 | 179.3° | 179.8° |
| CAB | CAW | CAV | H13 | 64.8° | 65.7° |
| CAW | CAB | H15 | H16 | 120.0° | 120.0° |
| CAW | CAB | H15 | H17 | 120.0° | 120.0° |
| CAW | CAB | H16 | H17 | 120.0° | 120.1° |
| CAB | CAW | CAC | H18 | 60.9° | 174.6° |
| CAB | CAW | CAC | H19 | 59.2° | 54.7° |
| CAB | CAW | CAC | H20 | 179.1° | 65.4° |
| CAB | CAW | CAP | H21 | 53.0° | 180.0° |
| CAB | CAW | CAP | H22 | 67.4° | 60.0° |
| CAC | CAW | CAV | H13 | 175.4° | 54.3° |
| CAC | CAW | CAB | H15 | 58.8° | 66.7° |
| CAC | CAW | CAB | H16 | 178.8° | 53.2° |
| CAC | CAW | CAB | H17 | 61.2° | 173.3° |
| CAW | CAC | H18 | H19 | 120.0° | 120.0° |
| CAW | CAC | H18 | H20 | 120.0° | 120.0° |
| CAW | CAC | H19 | H20 | 120.0° | 120.1° |
| CAC | CAW | CAP | H21 | 64.5° | 60.0° |
| CAC | CAW | CAP | H22 | 175.1° | 180.0° |
| H1 | C4 | C5 | H2 | 0.7° | 0.1° |
| H2 | C5 | C6 | H3 | 1.0° | 0.0° |
| H5 | CAM | NAQ | H7 | 159.4° | 120.0° |
| H6 | CAM | NAQ | H7 | 81.0° | 120.0° |
| H8 | CAO | CAN | H10 | 56.5° | 60.0° |
| H8 | CAO | CAN | H11 | 175.5° | 179.9° |
| H9 | CAO | CAN | H10 | 63.4° | 180.0° |
| H9 | CAO | CAN | H11 | 55.5° | 60.0° |
| H10 | CAN | NAR | H12 | 45.9° | 120.0° |
| H11 | CAN | NAR | H12 | 164.8° | 120.0° |
| H13 | CAV | OAG | H14 | 131.2° | 180.0° |
| H15 | CAB | H16 | H17 | 120.0° | 119.9° |
| H18 | CAC | H19 | H20 | 119.9° | 120.0° |
| H21 | CAP | OAS | H23 | 60.2° | 60.0° |
| H22 | CAP | OAS | H23 | 60.2° | 60.0° |
