J07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | doub | 1.22Å | 1.23Å | |
| C02 | N03 | sing | 1.47Å | 1.46Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C04 | N03 | sing | 1.35Å | 1.38Å | |
| C04 | N06 | sing | 1.35Å | 1.43Å | |
| C07 | N06 | sing | 1.47Å | 1.48Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| N06 | C11 | sing | 1.47Å | 1.51Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.42Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.56Å | |
| C09 | N12 | sing | 1.47Å | 1.49Å | |
| C22 | C21 | doub | 1.39Å | 1.44Å | Aromatic |
| C26 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | N27 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.47Å | 1.43Å | Aromatic |
| N12 | C13 | sing | 1.38Å | 1.40Å | |
| N27 | C28 | sing | 1.36Å | 1.36Å | Aromatic |
| N14 | C13 | doub | 1.32Å | 1.36Å | Aromatic |
| N14 | C15 | sing | 1.33Å | 1.39Å | Aromatic |
| C20 | C28 | doub | 1.36Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.48Å | 1.48Å | Aromatic |
| C13 | N18 | sing | 1.33Å | 1.36Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.44Å | Aromatic |
| N18 | C17 | doub | 1.32Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | CL1 | sing | 1.74Å | 1.73Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| N03 | HN03 | sing | 0.97Å | 1.00Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| N27 | HN27 | sing | 0.97Å | 1.00Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | N03 | 121.8° | 120.0° |
| O05 | C04 | N06 | 122.8° | 120.0° |
| N03 | C02 | C01 | 111.0° | 109.5° |
| C02 | N03 | C04 | 119.9° | 120.0° |
| N03 | C02 | H021 | 109.0° | 109.5° |
| N03 | C02 | H022 | 108.7° | 109.4° |
| C02 | N03 | HN03 | 120.0° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.0° | 109.5° |
| C01 | C02 | H022 | 108.6° | 109.5° |
| N03 | C04 | N06 | 115.4° | 120.0° |
| C04 | N03 | HN03 | 120.1° | 120.0° |
| C04 | N06 | C07 | 117.5° | 120.6° |
| C04 | N06 | C11 | 127.3° | 120.7° |
| N06 | C07 | C08 | 112.0° | 108.8° |
| C07 | N06 | C11 | 115.2° | 118.7° |
| N06 | C07 | H071 | 108.6° | 109.6° |
| N06 | C07 | H072 | 108.1° | 109.5° |
| C07 | C08 | C09 | 109.7° | 109.3° |
| C08 | C07 | H071 | 108.7° | 109.6° |
| C08 | C07 | H072 | 108.1° | 109.6° |
| C07 | C08 | H081 | 109.4° | 109.5° |
| C07 | C08 | H082 | 109.3° | 109.5° |
| N06 | C11 | C10 | 111.1° | 109.1° |
| N06 | C11 | H111 | 108.9° | 109.6° |
| N06 | C11 | H112 | 108.6° | 109.6° |
| C08 | C09 | C10 | 109.2° | 109.6° |
| C08 | C09 | N12 | 109.6° | 109.5° |
| C09 | C08 | H081 | 109.4° | 109.5° |
| C09 | C08 | H082 | 109.3° | 109.5° |
| C08 | C09 | H09 | 110.0° | 109.4° |
| C11 | C10 | C09 | 110.5° | 109.4° |
| C11 | C10 | H101 | 109.1° | 109.6° |
| C11 | C10 | H102 | 108.9° | 109.4° |
| C10 | C11 | H111 | 108.9° | 109.5° |
| C10 | C11 | H112 | 108.5° | 109.4° |
| C23 | C24 | C25 | 121.2° | 120.7° |
| C24 | C23 | C22 | 120.9° | 120.3° |
| C24 | C23 | H23 | 119.6° | 119.9° |
| C23 | C24 | H24 | 119.4° | 119.7° |
| C24 | C25 | C26 | 117.6° | 119.9° |
| C25 | C24 | H24 | 119.4° | 119.6° |
| C24 | C25 | H25 | 121.2° | 120.1° |
| C23 | C22 | C21 | 119.2° | 119.7° |
| C23 | C22 | H22 | 120.4° | 120.1° |
| C22 | C23 | H23 | 119.6° | 119.8° |
| C25 | C26 | C21 | 122.8° | 119.4° |
| C25 | C26 | N27 | 129.8° | 133.2° |
| C26 | C25 | H25 | 121.2° | 120.0° |
| C10 | C09 | N12 | 110.8° | 109.4° |
| C10 | C09 | H09 | 108.8° | 109.4° |
| C09 | C10 | H101 | 109.1° | 109.5° |
| C09 | C10 | H102 | 108.9° | 109.5° |
| C09 | N12 | C13 | 125.0° | 120.1° |
| N12 | C09 | H09 | 108.4° | 109.4° |
| C09 | N12 | HN12 | 104.6° | 119.9° |
| C22 | C21 | C26 | 118.3° | 120.0° |
| C22 | C21 | C20 | 134.7° | 134.0° |
| C21 | C22 | H22 | 120.4° | 120.2° |
| C21 | C26 | N27 | 107.3° | 107.4° |
| C26 | C21 | C20 | 106.9° | 106.0° |
| C26 | N27 | C28 | 109.8° | 110.3° |
| C26 | N27 | HN27 | 125.1° | 124.9° |
| C21 | C20 | C28 | 106.2° | 106.6° |
| C21 | C20 | C15 | 128.5° | 126.7° |
| N12 | C13 | N14 | 117.2° | 119.2° |
| N12 | C13 | N18 | 120.5° | 119.1° |
| C13 | N12 | HN12 | 104.6° | 120.0° |
| N27 | C28 | C20 | 109.7° | 109.8° |
| C28 | N27 | HN27 | 125.1° | 124.9° |
| N27 | C28 | H28 | 125.1° | 125.2° |
| C13 | N14 | C15 | 119.3° | 120.6° |
| N14 | C13 | N18 | 122.2° | 121.7° |
| N14 | C15 | C20 | 111.6° | 120.5° |
| N14 | C15 | C16 | 122.0° | 119.0° |
| C28 | C20 | C15 | 125.3° | 126.7° |
| C20 | C28 | H28 | 125.1° | 125.1° |
| C20 | C15 | C16 | 126.3° | 120.5° |
| C13 | N18 | C17 | 117.9° | 121.1° |
| C15 | C16 | C17 | 113.4° | 118.4° |
| C15 | C16 | CL1 | 128.2° | 120.8° |
| N18 | C17 | C16 | 125.1° | 119.2° |
| N18 | C17 | H17 | 117.5° | 120.4° |
| C17 | C16 | CL1 | 118.4° | 120.8° |
| C16 | C17 | H17 | 117.5° | 120.3° |
| H011 | C01 | H012 | 109.4° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H021 | C02 | H022 | 110.6° | 109.4° |
| H071 | C07 | H072 | 111.5° | 109.7° |
| H081 | C08 | H082 | 109.7° | 109.5° |
| H101 | C10 | H102 | 110.3° | 109.5° |
| H111 | C11 | H112 | 110.8° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | N03 | C02 | 69.0° | 5.3° |
| O05 | C04 | N03 | N06 | 179.6° | 180.0° |
| O05 | C04 | N06 | C07 | 0.2° | 5.5° |
| O05 | C04 | N06 | C11 | 179.8° | 174.9° |
| O05 | C04 | N03 | HN03 | 111.0° | 174.6° |
| N03 | C02 | C01 | H021 | 120.0° | 120.1° |
| N03 | C02 | C01 | H022 | 119.4° | 120.0° |
| C02 | N03 | C04 | HN03 | 180.0° | 179.9° |
| C02 | N03 | C04 | N06 | 110.6° | 174.6° |
| N03 | C02 | C01 | H011 | 163.2° | 180.0° |
| N03 | C02 | C01 | H012 | 76.9° | 60.0° |
| N03 | C02 | C01 | H013 | 43.1° | 60.0° |
| N03 | C02 | H021 | H022 | 119.4° | 120.0° |
| C01 | C02 | N03 | C04 | 123.1° | 180.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 119.4° | 120.0° |
| C01 | C02 | N03 | HN03 | 56.9° | 0.1° |
| N03 | C04 | N06 | C07 | 179.4° | 174.5° |
| N03 | C04 | N06 | C11 | 0.2° | 5.2° |
| C04 | N03 | C02 | H021 | 116.9° | 59.9° |
| C04 | N03 | C02 | H022 | 3.7° | 60.0° |
| C04 | N06 | C07 | C11 | 179.7° | 179.7° |
| C04 | N06 | C07 | C08 | 128.0° | 126.4° |
| C04 | N06 | C11 | C10 | 129.2° | 126.4° |
| N06 | C04 | N03 | HN03 | 69.4° | 5.5° |
| C04 | N06 | C07 | H071 | 112.0° | 113.8° |
| C04 | N06 | C07 | H072 | 9.1° | 6.5° |
| C04 | N06 | C11 | H111 | 9.2° | 6.6° |
| C04 | N06 | C11 | H112 | 111.5° | 113.8° |
| N06 | C07 | C08 | H071 | 120.0° | 119.8° |
| N06 | C07 | C08 | H072 | 118.9° | 119.8° |
| N06 | C07 | C08 | C09 | 55.5° | 54.6° |
| C07 | N06 | C11 | C10 | 51.2° | 53.2° |
| N06 | C07 | H071 | H072 | 119.0° | 120.3° |
| N06 | C07 | C08 | H081 | 175.5° | 174.6° |
| N06 | C07 | C08 | H082 | 64.4° | 65.3° |
| C07 | N06 | C11 | H111 | 171.2° | 173.1° |
| C07 | N06 | C11 | H112 | 68.1° | 66.5° |
| C08 | C07 | N06 | C11 | 52.4° | 53.3° |
| C07 | C08 | C09 | H081 | 120.0° | 119.9° |
| C07 | C08 | C09 | H082 | 119.9° | 120.0° |
| C07 | C08 | C09 | C10 | 58.9° | 61.4° |
| C07 | C08 | C09 | N12 | 179.5° | 178.6° |
| C08 | C07 | H071 | H072 | 119.0° | 120.4° |
| C07 | C08 | H081 | H082 | 119.9° | 120.1° |
| C07 | C08 | C09 | H09 | 60.5° | 58.6° |
| N06 | C11 | C10 | H111 | 120.0° | 119.9° |
| N06 | C11 | C10 | H112 | 119.3° | 119.8° |
| N06 | C11 | C10 | C09 | 53.7° | 54.3° |
| C11 | N06 | C07 | H071 | 67.6° | 66.5° |
| C11 | N06 | C07 | H072 | 171.3° | 173.1° |
| N06 | C11 | C10 | H101 | 66.3° | 174.4° |
| N06 | C11 | C10 | H102 | 173.3° | 65.5° |
| N06 | C11 | H111 | H112 | 119.4° | 120.3° |
| C08 | C09 | C10 | C11 | 58.6° | 61.2° |
| C08 | C09 | C10 | N12 | 120.8° | 120.1° |
| C08 | C09 | C10 | H09 | 120.1° | 120.0° |
| C08 | C09 | N12 | H09 | 120.1° | 120.0° |
| C08 | C09 | N12 | C13 | 78.0° | 155.0° |
| C09 | C08 | C07 | H071 | 64.5° | 65.1° |
| C09 | C08 | C07 | H072 | 174.4° | 174.4° |
| C09 | C08 | H081 | H082 | 119.9° | 120.0° |
| C08 | C09 | C10 | H101 | 61.4° | 178.7° |
| C08 | C09 | C10 | H102 | 178.2° | 58.6° |
| C08 | C09 | N12 | HN12 | 42.0° | 25.0° |
| C11 | C10 | C09 | H101 | 120.0° | 120.1° |
| C11 | C10 | C09 | H102 | 119.6° | 119.8° |
| C11 | C10 | C09 | N12 | 179.5° | 178.7° |
| C11 | C10 | C09 | H09 | 61.5° | 58.8° |
| C11 | C10 | H101 | H102 | 119.6° | 119.9° |
| C10 | C11 | H111 | H112 | 119.3° | 120.1° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C24 | C23 | C22 | H23 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.1° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C24 | C23 | C22 | H22 | 179.9° | 180.0° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C25 | C24 | C23 | C22 | 0.0° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C21 | 0.4° | 0.0° |
| C24 | C25 | C26 | N27 | 179.8° | 180.0° |
| C25 | C24 | C23 | H23 | 180.0° | 180.0° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | C26 | 0.4° | 0.0° |
| C23 | C22 | C21 | C20 | 179.8° | 179.9° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C25 | C26 | C21 | C22 | 0.5° | 0.0° |
| C25 | C26 | C21 | N27 | 179.6° | 180.0° |
| C25 | C26 | C21 | C20 | 179.6° | 180.0° |
| C25 | C26 | N27 | C28 | 179.5° | 179.9° |
| C26 | C25 | C24 | H24 | 179.9° | 180.0° |
| C25 | C26 | N27 | HN27 | 0.5° | 0.1° |
| C10 | C09 | N12 | H09 | 119.3° | 119.9° |
| C10 | C09 | N12 | C13 | 161.4° | 84.9° |
| C10 | C09 | C08 | H081 | 178.9° | 178.7° |
| C10 | C09 | C08 | H082 | 61.0° | 58.6° |
| C09 | C10 | H101 | H102 | 119.6° | 120.1° |
| C09 | C10 | C11 | H111 | 173.7° | 174.3° |
| C09 | C10 | C11 | H112 | 65.6° | 65.5° |
| C10 | C09 | N12 | HN12 | 78.6° | 95.2° |
| C09 | N12 | C13 | HN12 | 120.0° | 180.0° |
| C09 | N12 | C13 | N14 | 4.7° | 179.8° |
| C09 | N12 | C13 | N18 | 175.7° | 0.0° |
| N12 | C09 | C08 | H081 | 59.5° | 58.6° |
| N12 | C09 | C08 | H082 | 60.6° | 61.4° |
| N12 | C09 | C10 | H101 | 59.5° | 58.6° |
| N12 | C09 | C10 | H102 | 61.0° | 61.5° |
| C22 | C21 | C26 | C20 | 179.9° | 179.9° |
| C22 | C21 | C26 | N27 | 180.0° | 180.0° |
| C22 | C21 | C20 | C28 | 179.9° | 179.9° |
| C22 | C21 | C20 | C15 | 0.6° | 0.2° |
| C21 | C22 | C23 | H23 | 179.9° | 179.9° |
| C21 | C26 | N27 | C28 | 0.0° | 0.1° |
| C26 | C21 | C20 | C28 | 0.1° | 0.0° |
| C26 | C21 | C20 | C15 | 179.5° | 179.7° |
| C26 | C21 | C22 | H22 | 179.6° | 180.0° |
| C21 | C26 | C25 | H25 | 179.6° | 179.9° |
| C21 | C26 | N27 | HN27 | 180.0° | 180.0° |
| N27 | C26 | C21 | C20 | 0.1° | 0.1° |
| C26 | N27 | C28 | HN27 | 180.0° | 179.9° |
| C26 | N27 | C28 | C20 | 0.0° | 0.1° |
| N27 | C26 | C25 | H25 | 0.2° | 0.0° |
| C26 | N27 | C28 | H28 | 180.0° | 179.7° |
| C21 | C20 | C28 | N27 | 0.0° | 0.1° |
| C21 | C20 | C15 | N14 | 9.2° | 48.8° |
| C21 | C20 | C28 | C15 | 179.5° | 179.8° |
| C21 | C20 | C15 | C16 | 171.6° | 131.2° |
| C20 | C21 | C22 | H22 | 0.2° | 0.1° |
| C21 | C20 | C28 | H28 | 180.0° | 179.8° |
| N12 | C13 | N14 | N18 | 179.6° | 179.7° |
| N12 | C13 | N14 | C15 | 179.8° | 180.0° |
| N12 | C13 | N18 | C17 | 179.8° | 179.7° |
| C13 | N12 | C09 | H09 | 42.1° | 35.0° |
| N27 | C28 | C20 | H28 | 180.0° | 179.8° |
| N27 | C28 | C20 | C15 | 179.5° | 179.8° |
| C13 | N14 | C15 | C20 | 179.5° | 180.0° |
| C13 | N14 | C15 | C16 | 0.3° | 0.0° |
| N14 | C13 | N18 | C17 | 0.6° | 0.6° |
| N14 | C13 | N12 | HN12 | 115.3° | 0.3° |
| N14 | C15 | C20 | C28 | 170.2° | 131.5° |
| N14 | C15 | C20 | C16 | 179.2° | 180.0° |
| C15 | N14 | C13 | N18 | 0.6° | 0.2° |
| N14 | C15 | C16 | C17 | 0.1° | 0.0° |
| N14 | C15 | C16 | CL1 | 180.0° | 179.9° |
| C28 | C20 | C15 | C16 | 9.0° | 48.5° |
| C20 | C28 | N27 | HN27 | 180.0° | 180.0° |
| C20 | C15 | C16 | C17 | 179.2° | 180.0° |
| C20 | C15 | C16 | CL1 | 0.9° | 0.1° |
| C15 | C20 | C28 | H28 | 0.5° | 0.0° |
| C13 | N18 | C17 | C16 | 0.4° | 0.6° |
| N18 | C13 | N12 | HN12 | 64.3° | 180.0° |
| C13 | N18 | C17 | H17 | 179.6° | 179.7° |
| C15 | C16 | C17 | N18 | 0.1° | 0.3° |
| C15 | C16 | C17 | CL1 | 180.0° | 179.9° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| N18 | C17 | C16 | H17 | 180.0° | 179.7° |
| N18 | C17 | C16 | CL1 | 179.9° | 179.8° |
| CL1 | C16 | C17 | H17 | 0.1° | 0.1° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H011 | C01 | C02 | H021 | 43.1° | 59.9° |
| H011 | C01 | C02 | H022 | 77.5° | 60.1° |
| H012 | C01 | C02 | H021 | 163.1° | 60.0° |
| H012 | C01 | C02 | H022 | 42.5° | 180.0° |
| H013 | C01 | C02 | H021 | 76.9° | 180.0° |
| H013 | C01 | C02 | H022 | 162.5° | 60.0° |
| H021 | C02 | N03 | HN03 | 63.1° | 120.0° |
| H022 | C02 | N03 | HN03 | 176.3° | 120.1° |
| H071 | C07 | C08 | H081 | 55.5° | 54.8° |
| H071 | C07 | C08 | H082 | 175.6° | 174.9° |
| H072 | C07 | C08 | H081 | 65.6° | 65.6° |
| H072 | C07 | C08 | H082 | 54.5° | 54.4° |
| H081 | C08 | C09 | H09 | 59.5° | 61.3° |
| H082 | C08 | C09 | H09 | 179.7° | 178.6° |
| H09 | C09 | C10 | H101 | 178.5° | 61.3° |
| H09 | C09 | C10 | H102 | 58.1° | 178.6° |
| H09 | C09 | N12 | HN12 | 162.1° | 144.9° |
| H101 | C10 | C11 | H111 | 53.7° | 65.7° |
| H101 | C10 | C11 | H112 | 174.4° | 54.6° |
| H102 | C10 | C11 | H111 | 66.7° | 54.4° |
| H102 | C10 | C11 | H112 | 54.0° | 174.6° |
| H22 | C22 | C23 | H23 | 0.1° | 0.1° |
| H23 | C23 | C24 | H24 | 0.0° | 0.1° |
| H24 | C24 | C25 | H25 | 0.2° | 0.1° |
| HN27 | N27 | C28 | H28 | 0.0° | 0.2° |
