7RH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N09 | sing | 1.46Å | 1.45Å | |
| N09 | N11 | sing | 1.40Å | 1.39Å | Aromatic |
| N09 | C08 | sing | 1.35Å | 1.38Å | Aromatic |
| N11 | C12 | doub | 1.31Å | 1.35Å | Aromatic |
| C08 | C07 | doub | 1.37Å | 1.35Å | Aromatic |
| C12 | C07 | sing | 1.41Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.43Å | 1.49Å | |
| C06 | C05 | trip | 1.17Å | 1.16Å | |
| C05 | C04 | sing | 1.47Å | 1.49Å | |
| C04 | N03 | sing | 1.46Å | 1.43Å | |
| N03 | C13 | sing | 1.36Å | 1.47Å | |
| N03 | C02 | sing | 1.35Å | 1.38Å | |
| C13 | N14 | doub | 1.30Å | 1.36Å | |
| O01 | C02 | doub | 1.22Å | 1.37Å | |
| C02 | C16 | sing | 1.41Å | 1.39Å | |
| N14 | C15 | sing | 1.34Å | 1.32Å | |
| C16 | C15 | doub | 1.40Å | 1.44Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.43Å | Aromatic |
| O22 | C20 | doub | 1.22Å | 1.16Å | |
| C15 | N24 | sing | 1.37Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.42Å | 1.53Å | |
| C19 | C18 | doub | 1.35Å | 1.49Å | |
| C20 | N21 | sing | 1.35Å | 1.44Å | |
| C17 | C18 | sing | 1.47Å | 1.54Å | |
| C17 | C23 | doub | 1.37Å | 1.30Å | Aromatic |
| N24 | C23 | sing | 1.36Å | 1.36Å | Aromatic |
| N24 | C25 | sing | 1.47Å | 1.43Å | |
| C25 | C26 | sing | 1.51Å | 1.55Å | |
| O35 | C26 | doub | 1.21Å | 1.18Å | |
| C26 | N27 | sing | 1.35Å | 1.42Å | |
| N27 | C28 | sing | 1.40Å | 1.43Å | |
| C29 | C28 | doub | 1.39Å | 1.36Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C33 | sing | 1.40Å | 1.36Å | Aromatic |
| C30 | N31 | doub | 1.32Å | 1.35Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | CL34 | sing | 1.74Å | 1.74Å | |
| N31 | C32 | sing | 1.32Å | 1.34Å | Aromatic |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N21 | H212 | sing | 0.97Å | 1.00Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N09 | N11 | 124.0° | 125.9° |
| C10 | N09 | C08 | 126.7° | 125.8° |
| N09 | C10 | H102 | 109.5° | 109.5° |
| N09 | C10 | H103 | 109.5° | 109.5° |
| N09 | C10 | H101 | 109.5° | 109.5° |
| N11 | N09 | C08 | 109.3° | 108.3° |
| N09 | N11 | C12 | 109.3° | 108.6° |
| N09 | C08 | C07 | 105.6° | 107.6° |
| N09 | C08 | H081 | 127.2° | 126.2° |
| N11 | C12 | C07 | 104.7° | 108.1° |
| N11 | C12 | H121 | 127.6° | 126.0° |
| C08 | C07 | C12 | 111.3° | 107.5° |
| C08 | C07 | C06 | 124.7° | 126.2° |
| C07 | C08 | H081 | 127.2° | 126.2° |
| C12 | C07 | C06 | 124.1° | 126.3° |
| C07 | C12 | H121 | 127.7° | 125.9° |
| C07 | C06 | C05 | 178.3° | 180.0° |
| C06 | C05 | C04 | 176.6° | 179.9° |
| C05 | C04 | N03 | 118.8° | 109.5° |
| C05 | C04 | H042 | 107.1° | 109.5° |
| C05 | C04 | H041 | 107.1° | 109.5° |
| C04 | N03 | C13 | 115.2° | 119.9° |
| C04 | N03 | C02 | 122.0° | 120.0° |
| N03 | C04 | H042 | 107.1° | 109.5° |
| N03 | C04 | H041 | 107.1° | 109.5° |
| C13 | N03 | C02 | 122.7° | 120.1° |
| N03 | C13 | N14 | 116.8° | 122.4° |
| N03 | C13 | H131 | 121.6° | 118.8° |
| N03 | C02 | O01 | 119.4° | 120.9° |
| N03 | C02 | C16 | 119.2° | 118.2° |
| C13 | N14 | C15 | 119.3° | 121.3° |
| N14 | C13 | H131 | 121.6° | 118.8° |
| O01 | C02 | C16 | 121.3° | 120.9° |
| C02 | C16 | C15 | 114.9° | 119.0° |
| C02 | C16 | C17 | 141.6° | 134.8° |
| N14 | C15 | C16 | 127.0° | 119.0° |
| N14 | C15 | N24 | 131.5° | 133.4° |
| C15 | C16 | C17 | 103.5° | 106.2° |
| C16 | C15 | N24 | 101.6° | 107.6° |
| C16 | C17 | C18 | 120.9° | 126.9° |
| C16 | C17 | C23 | 116.7° | 106.1° |
| O22 | C20 | C19 | 120.2° | 120.0° |
| O22 | C20 | N21 | 118.7° | 120.0° |
| C15 | N24 | C23 | 116.9° | 110.7° |
| C15 | N24 | C25 | 121.0° | 124.7° |
| C20 | C19 | C18 | 118.4° | 120.0° |
| C19 | C20 | N21 | 121.0° | 119.9° |
| C20 | C19 | H191 | 120.8° | 120.0° |
| C19 | C18 | C17 | 121.4° | 120.0° |
| C19 | C18 | H181 | 119.3° | 120.0° |
| C18 | C19 | H191 | 120.8° | 120.0° |
| C20 | N21 | H211 | 120.0° | 120.1° |
| C20 | N21 | H212 | 120.0° | 120.0° |
| C18 | C17 | C23 | 122.3° | 127.0° |
| C17 | C18 | H181 | 119.3° | 120.0° |
| C17 | C23 | N24 | 101.3° | 109.4° |
| C17 | C23 | H231 | 129.4° | 125.2° |
| C23 | N24 | C25 | 122.1° | 124.7° |
| N24 | C23 | H231 | 129.3° | 125.4° |
| N24 | C25 | C26 | 111.6° | 109.5° |
| N24 | C25 | H252 | 108.9° | 109.5° |
| N24 | C25 | H251 | 108.9° | 109.5° |
| C25 | C26 | O35 | 125.3° | 119.9° |
| C25 | C26 | N27 | 113.5° | 120.0° |
| C26 | C25 | H252 | 108.9° | 109.4° |
| C26 | C25 | H251 | 108.9° | 109.5° |
| O35 | C26 | N27 | 121.2° | 120.1° |
| C26 | N27 | C28 | 126.1° | 120.0° |
| C26 | N27 | H271 | 117.0° | 120.0° |
| N27 | C28 | C29 | 122.3° | 120.9° |
| N27 | C28 | C33 | 119.9° | 120.8° |
| C28 | N27 | H271 | 117.0° | 120.0° |
| C28 | C29 | C30 | 119.7° | 119.0° |
| C29 | C28 | C33 | 117.4° | 118.3° |
| C28 | C29 | H291 | 120.2° | 120.4° |
| C29 | C30 | N31 | 122.2° | 120.9° |
| C30 | C29 | H291 | 120.2° | 120.5° |
| C29 | C30 | H301 | 118.9° | 119.5° |
| C28 | C33 | C32 | 121.6° | 119.0° |
| C28 | C33 | CL34 | 121.3° | 120.5° |
| C30 | N31 | C32 | 117.2° | 121.9° |
| N31 | C30 | H301 | 118.9° | 119.6° |
| C32 | C33 | CL34 | 117.0° | 120.5° |
| C33 | C32 | N31 | 121.7° | 120.8° |
| C33 | C32 | H321 | 119.2° | 119.5° |
| N31 | C32 | H321 | 119.1° | 119.6° |
| H042 | C04 | H041 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.4° | 109.4° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H103 | C10 | H101 | 109.5° | 109.5° |
| H211 | N21 | H212 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N09 | N11 | C08 | 179.5° | 180.0° |
| C10 | N09 | N11 | C12 | 178.7° | 180.0° |
| C10 | N09 | C08 | C07 | 178.8° | 179.8° |
| C10 | N09 | C08 | H081 | 1.1° | 0.2° |
| N09 | C10 | H102 | H103 | 120.0° | 120.0° |
| N09 | C10 | H102 | H101 | 120.0° | 120.0° |
| N09 | C10 | H103 | H101 | 120.0° | 120.1° |
| N11 | N09 | C08 | C07 | 0.6° | 0.2° |
| N09 | N11 | C12 | C07 | 0.6° | 0.1° |
| N11 | N09 | C08 | H081 | 179.4° | 179.8° |
| N09 | N11 | C12 | H121 | 179.3° | 179.8° |
| N11 | N09 | C10 | H102 | 0.0° | 90.0° |
| N11 | N09 | C10 | H103 | 120.0° | 150.0° |
| N11 | N09 | C10 | H101 | 120.0° | 30.0° |
| C08 | N09 | N11 | C12 | 0.8° | 0.0° |
| N09 | C08 | C07 | H081 | 180.0° | 180.0° |
| N09 | C08 | C07 | C12 | 0.2° | 0.3° |
| N09 | C08 | C07 | C06 | 179.7° | 180.0° |
| C08 | N09 | C10 | H102 | 179.4° | 90.0° |
| C08 | N09 | C10 | H103 | 59.4° | 30.0° |
| C08 | N09 | C10 | H101 | 60.6° | 150.0° |
| N11 | C12 | C07 | C08 | 0.3° | 0.3° |
| N11 | C12 | C07 | H121 | 180.0° | 179.9° |
| N11 | C12 | C07 | C06 | 179.2° | 180.0° |
| C08 | C07 | C12 | C06 | 179.5° | 179.7° |
| C08 | C07 | C06 | C05 | 60.3° | 93.9° |
| C08 | C07 | C12 | H121 | 179.7° | 179.6° |
| C12 | C07 | C06 | C05 | 119.1° | 85.8° |
| C12 | C07 | C08 | H081 | 179.8° | 179.7° |
| C07 | C06 | C05 | C04 | 10.6° | 145.6° |
| C06 | C07 | C08 | H081 | 0.4° | 0.0° |
| C06 | C07 | C12 | H121 | 0.8° | 0.1° |
| C06 | C05 | C04 | N03 | 179.8° | 59.5° |
| C06 | C05 | C04 | H042 | 58.4° | 179.5° |
| C06 | C05 | C04 | H041 | 58.9° | 60.6° |
| C05 | C04 | N03 | H042 | 121.3° | 120.0° |
| C05 | C04 | N03 | H041 | 121.3° | 120.0° |
| C05 | C04 | N03 | C13 | 108.2° | 90.0° |
| C05 | C04 | N03 | C02 | 74.9° | 90.0° |
| C05 | C04 | H042 | H041 | 115.8° | 120.0° |
| C04 | N03 | C13 | C02 | 176.8° | 180.0° |
| C04 | N03 | C13 | N14 | 175.9° | 180.0° |
| C04 | N03 | C02 | O01 | 4.0° | 0.0° |
| C04 | N03 | C02 | C16 | 176.4° | 179.7° |
| N03 | C04 | H042 | H041 | 115.8° | 120.0° |
| C04 | N03 | C13 | H131 | 4.1° | 0.3° |
| N03 | C13 | N14 | H131 | 180.0° | 179.7° |
| C13 | N03 | C02 | O01 | 179.4° | 180.0° |
| C13 | N03 | C02 | C16 | 0.2° | 0.3° |
| N03 | C13 | N14 | C15 | 1.5° | 0.3° |
| C13 | N03 | C04 | H042 | 130.4° | 30.0° |
| C13 | N03 | C04 | H041 | 13.1° | 150.0° |
| C02 | N03 | C13 | N14 | 0.9° | 0.0° |
| N03 | C02 | O01 | C16 | 179.6° | 179.7° |
| N03 | C02 | C16 | C15 | 0.1° | 0.3° |
| N03 | C02 | C16 | C17 | 178.6° | 179.7° |
| C02 | N03 | C04 | H042 | 46.4° | 150.0° |
| C02 | N03 | C04 | H041 | 163.7° | 30.0° |
| C02 | N03 | C13 | H131 | 179.1° | 179.7° |
| C13 | N14 | C15 | C16 | 1.5° | 0.3° |
| C13 | N14 | C15 | N24 | 179.9° | 179.8° |
| O01 | C02 | C16 | C15 | 179.5° | 180.0° |
| O01 | C02 | C16 | C17 | 0.9° | 0.1° |
| C02 | C16 | C15 | N14 | 0.7° | 0.0° |
| C02 | C16 | C15 | C17 | 179.1° | 179.9° |
| C02 | C16 | C15 | N24 | 179.7° | 179.9° |
| C02 | C16 | C17 | C18 | 3.7° | 0.1° |
| C02 | C16 | C17 | C23 | 179.9° | 179.9° |
| N14 | C15 | C16 | N24 | 178.9° | 180.0° |
| N14 | C15 | C16 | C17 | 179.8° | 180.0° |
| N14 | C15 | N24 | C23 | 179.8° | 180.0° |
| N14 | C15 | N24 | C25 | 1.2° | 0.0° |
| C15 | N14 | C13 | H131 | 178.5° | 180.0° |
| C15 | C16 | C17 | C18 | 177.7° | 180.0° |
| C15 | C16 | C17 | C23 | 1.4° | 0.0° |
| C16 | C15 | N24 | C23 | 0.9° | 0.0° |
| C16 | C15 | N24 | C25 | 180.0° | 180.0° |
| C17 | C16 | C15 | N24 | 1.3° | 0.0° |
| C16 | C17 | C18 | C19 | 98.5° | 180.0° |
| C16 | C17 | C18 | C23 | 176.0° | 180.0° |
| C16 | C17 | C23 | N24 | 0.9° | 0.0° |
| C16 | C17 | C18 | H181 | 81.6° | 0.0° |
| C16 | C17 | C23 | H231 | 179.1° | 180.0° |
| O22 | C20 | C19 | N21 | 175.1° | 180.0° |
| O22 | C20 | C19 | C18 | 100.5° | 0.0° |
| O22 | C20 | C19 | H191 | 79.5° | 180.0° |
| O22 | C20 | N21 | H211 | 0.0° | 180.0° |
| O22 | C20 | N21 | H212 | 180.0° | 0.0° |
| C15 | N24 | C23 | C17 | 0.1° | 0.0° |
| C15 | N24 | C23 | C25 | 179.0° | 180.0° |
| C15 | N24 | C25 | C26 | 83.4° | 85.0° |
| C15 | N24 | C23 | H231 | 179.9° | 180.0° |
| C15 | N24 | C25 | H252 | 36.9° | 35.0° |
| C15 | N24 | C25 | H251 | 156.2° | 155.0° |
| C20 | C19 | C18 | H191 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 173.6° | 180.0° |
| C20 | C19 | C18 | H181 | 6.4° | 0.0° |
| C19 | C20 | N21 | H211 | 175.2° | 0.0° |
| C19 | C20 | N21 | H212 | 4.8° | 180.0° |
| C18 | C19 | C20 | N21 | 84.4° | 180.0° |
| C19 | C18 | C17 | H181 | 180.0° | 180.0° |
| C19 | C18 | C17 | C23 | 85.5° | 0.0° |
| N21 | C20 | C19 | H191 | 95.6° | 0.0° |
| C20 | N21 | H211 | H212 | 180.0° | 180.0° |
| C18 | C17 | C23 | N24 | 177.0° | 180.0° |
| C17 | C18 | C19 | H191 | 6.4° | 0.0° |
| C18 | C17 | C23 | H231 | 3.0° | 0.0° |
| C17 | C23 | N24 | H231 | 180.0° | 180.0° |
| C17 | C23 | N24 | C25 | 179.2° | 180.0° |
| C23 | C17 | C18 | H181 | 94.4° | 180.0° |
| C23 | N24 | C25 | C26 | 97.5° | 95.0° |
| C23 | N24 | C25 | H252 | 142.1° | 145.0° |
| C23 | N24 | C25 | H251 | 22.8° | 25.0° |
| N24 | C25 | C26 | H252 | 120.3° | 120.0° |
| N24 | C25 | C26 | H251 | 120.3° | 120.0° |
| N24 | C25 | C26 | O35 | 17.5° | 0.0° |
| N24 | C25 | C26 | N27 | 164.0° | 180.0° |
| C25 | N24 | C23 | H231 | 0.8° | 0.0° |
| N24 | C25 | H252 | H251 | 119.0° | 120.0° |
| C25 | C26 | O35 | N27 | 178.4° | 179.9° |
| C25 | C26 | N27 | C28 | 173.9° | 175.9° |
| C26 | C25 | H252 | H251 | 119.0° | 120.0° |
| C25 | C26 | N27 | H271 | 6.1° | 4.1° |
| O35 | C26 | N27 | C28 | 4.7° | 4.2° |
| O35 | C26 | C25 | H252 | 102.8° | 120.0° |
| O35 | C26 | C25 | H251 | 137.8° | 120.0° |
| O35 | C26 | N27 | H271 | 175.3° | 175.9° |
| C26 | N27 | C28 | H271 | 180.0° | 179.9° |
| C26 | N27 | C28 | C29 | 20.4° | 34.0° |
| C26 | N27 | C28 | C33 | 167.0° | 146.1° |
| N27 | C26 | C25 | H252 | 75.7° | 60.0° |
| N27 | C26 | C25 | H251 | 43.7° | 60.0° |
| N27 | C28 | C29 | C33 | 172.8° | 180.0° |
| N27 | C28 | C29 | C30 | 177.4° | 180.0° |
| N27 | C28 | C33 | C32 | 177.4° | 180.0° |
| N27 | C28 | C33 | CL34 | 4.4° | 0.0° |
| N27 | C28 | C29 | H291 | 2.6° | 0.2° |
| C28 | C29 | C30 | H291 | 180.0° | 179.7° |
| C28 | C29 | C30 | N31 | 2.9° | 0.1° |
| C29 | C28 | C33 | C32 | 4.4° | 0.0° |
| C29 | C28 | C33 | CL34 | 177.4° | 180.0° |
| C28 | C29 | C30 | H301 | 177.0° | 180.0° |
| C29 | C28 | N27 | H271 | 159.6° | 146.1° |
| C30 | C29 | C28 | C33 | 4.6° | 0.0° |
| C29 | C30 | N31 | H301 | 180.0° | 179.9° |
| C29 | C30 | N31 | C32 | 0.7° | 0.0° |
| C28 | C33 | C32 | CL34 | 178.3° | 180.0° |
| C28 | C33 | C32 | N31 | 2.3° | 0.0° |
| C33 | C28 | C29 | H291 | 175.4° | 179.7° |
| C28 | C33 | C32 | H321 | 177.7° | 180.0° |
| C33 | C28 | N27 | H271 | 13.0° | 33.9° |
| C30 | N31 | C32 | C33 | 0.4° | 0.0° |
| N31 | C30 | C29 | H291 | 177.1° | 179.8° |
| C30 | N31 | C32 | H321 | 179.6° | 179.9° |
| C33 | C32 | N31 | H321 | 180.0° | 179.9° |
| CL34 | C33 | C32 | N31 | 179.4° | 180.0° |
| CL34 | C33 | C32 | H321 | 0.6° | 0.0° |
| C32 | N31 | C30 | H301 | 179.3° | 179.9° |
| H181 | C18 | C19 | H191 | 173.6° | 180.0° |
| H291 | C29 | C30 | H301 | 3.0° | 0.3° |
| H102 | C10 | H103 | H101 | 120.0° | 119.9° |
