7RR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N05 | C04 | sing | 1.37Å | 1.39Å | |
| N03 | C04 | sing | 1.36Å | 1.40Å | |
| N03 | C02 | sing | 1.35Å | 1.38Å | |
| C04 | N06 | doub | 1.31Å | 1.36Å | |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| C02 | C08 | sing | 1.41Å | 1.46Å | |
| N06 | C07 | sing | 1.34Å | 1.41Å | |
| C08 | C07 | doub | 1.40Å | 1.37Å | Aromatic |
| C08 | C09 | sing | 1.46Å | 1.41Å | Aromatic |
| C07 | N11 | sing | 1.36Å | 1.34Å | Aromatic |
| C09 | C10 | doub | 1.34Å | 1.38Å | Aromatic |
| N11 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.41Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| O22 | C13 | doub | 1.21Å | 1.22Å | |
| C13 | N14 | sing | 1.35Å | 1.40Å | |
| N14 | C15 | sing | 1.40Å | 1.42Å | |
| C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | N18 | doub | 1.32Å | 1.33Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.36Å | Aromatic |
| C20 | CL21 | sing | 1.74Å | 1.73Å | |
| N18 | C19 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N05 | H052 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | C04 | N03 | 120.7° | 118.9° |
| N05 | C04 | N06 | 119.4° | 118.9° |
| C04 | N05 | H051 | 120.0° | 120.0° |
| C04 | N05 | H052 | 120.0° | 120.0° |
| C04 | N03 | C02 | 126.1° | 120.2° |
| N03 | C04 | N06 | 119.9° | 122.1° |
| C04 | N03 | H031 | 117.0° | 119.9° |
| N03 | C02 | O01 | 119.0° | 120.9° |
| N03 | C02 | C08 | 114.4° | 118.2° |
| C02 | N03 | H031 | 117.0° | 119.9° |
| C04 | N06 | C07 | 115.3° | 121.2° |
| O01 | C02 | C08 | 126.6° | 120.9° |
| C02 | C08 | C07 | 117.5° | 119.1° |
| C02 | C08 | C09 | 134.5° | 134.6° |
| N06 | C07 | C08 | 126.8° | 119.2° |
| N06 | C07 | N11 | 125.6° | 133.6° |
| C07 | C08 | C09 | 108.0° | 106.3° |
| C08 | C07 | N11 | 107.7° | 107.3° |
| C08 | C09 | C10 | 106.5° | 106.7° |
| C08 | C09 | H091 | 126.7° | 126.6° |
| C07 | N11 | C10 | 110.6° | 110.1° |
| C07 | N11 | C12 | 127.7° | 125.0° |
| C09 | C10 | N11 | 107.1° | 109.6° |
| C09 | C10 | H101 | 126.4° | 125.2° |
| C10 | C09 | H091 | 126.7° | 126.6° |
| C10 | N11 | C12 | 121.6° | 124.9° |
| N11 | C10 | H101 | 126.4° | 125.2° |
| N11 | C12 | C13 | 116.8° | 109.5° |
| N11 | C12 | H122 | 107.6° | 109.5° |
| N11 | C12 | H121 | 107.6° | 109.5° |
| C12 | C13 | O22 | 120.9° | 120.0° |
| C12 | C13 | N14 | 111.7° | 120.0° |
| C13 | C12 | H122 | 107.6° | 109.5° |
| C13 | C12 | H121 | 107.6° | 109.5° |
| O22 | C13 | N14 | 127.3° | 120.0° |
| C13 | N14 | C15 | 122.0° | 120.0° |
| C13 | N14 | H141 | 119.0° | 120.1° |
| N14 | C15 | C16 | 122.9° | 120.9° |
| N14 | C15 | C20 | 118.7° | 120.9° |
| C15 | N14 | H141 | 119.0° | 120.0° |
| C15 | C16 | C17 | 119.4° | 119.1° |
| C16 | C15 | C20 | 118.0° | 118.2° |
| C15 | C16 | H161 | 120.3° | 120.4° |
| C16 | C17 | N18 | 121.6° | 120.9° |
| C17 | C16 | H161 | 120.3° | 120.4° |
| C16 | C17 | H171 | 119.2° | 119.6° |
| C15 | C20 | C19 | 118.6° | 119.1° |
| C15 | C20 | CL21 | 120.9° | 120.4° |
| C17 | N18 | C19 | 118.8° | 121.9° |
| N18 | C17 | H171 | 119.2° | 119.5° |
| C19 | C20 | CL21 | 120.5° | 120.5° |
| C20 | C19 | N18 | 123.4° | 120.8° |
| C20 | C19 | H191 | 118.3° | 119.5° |
| N18 | C19 | H191 | 118.3° | 119.6° |
| H122 | C12 | H121 | 109.5° | 109.4° |
| H051 | N05 | H052 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C04 | N03 | N06 | 178.5° | 179.9° |
| N05 | C04 | N03 | C02 | 178.3° | 179.8° |
| N05 | C04 | N06 | C07 | 178.7° | 180.0° |
| N05 | C04 | N03 | H031 | 1.8° | 0.1° |
| C04 | N05 | H051 | H052 | 180.0° | 180.0° |
| C04 | N03 | C02 | H031 | 180.0° | 179.9° |
| C04 | N03 | C02 | O01 | 179.5° | 180.0° |
| C04 | N03 | C02 | C08 | 0.3° | 0.1° |
| N03 | C04 | N06 | C07 | 0.2° | 0.1° |
| N03 | C04 | N05 | H051 | 178.5° | 179.9° |
| N03 | C04 | N05 | H052 | 1.5° | 0.1° |
| C02 | N03 | C04 | N06 | 0.3° | 0.1° |
| N03 | C02 | O01 | C08 | 179.1° | 179.9° |
| N03 | C02 | C08 | C07 | 0.1° | 0.0° |
| N03 | C02 | C08 | C09 | 178.5° | 180.0° |
| C04 | N06 | C07 | C08 | 0.6° | 0.2° |
| C04 | N06 | C07 | N11 | 178.7° | 180.0° |
| N06 | C04 | N03 | H031 | 179.7° | 180.0° |
| N06 | C04 | N05 | H051 | 0.0° | 0.0° |
| N06 | C04 | N05 | H052 | 180.0° | 180.0° |
| O01 | C02 | C08 | C07 | 179.0° | 179.9° |
| O01 | C02 | C08 | C09 | 0.7° | 0.1° |
| O01 | C02 | N03 | H031 | 0.5° | 0.0° |
| C02 | C08 | C07 | N06 | 0.6° | 0.1° |
| C02 | C08 | C07 | C09 | 178.8° | 180.0° |
| C02 | C08 | C07 | N11 | 178.8° | 180.0° |
| C02 | C08 | C09 | C10 | 179.8° | 179.9° |
| C02 | C08 | C09 | H091 | 0.2° | 0.2° |
| C08 | C02 | N03 | H031 | 179.7° | 180.0° |
| N06 | C07 | C08 | N11 | 179.4° | 179.9° |
| N06 | C07 | C08 | C09 | 179.4° | 179.9° |
| N06 | C07 | N11 | C10 | 179.3° | 180.0° |
| N06 | C07 | N11 | C12 | 2.1° | 0.1° |
| C07 | C08 | C09 | C10 | 1.3° | 0.1° |
| C08 | C07 | N11 | C10 | 1.3° | 0.1° |
| C08 | C07 | N11 | C12 | 178.5° | 180.0° |
| C07 | C08 | C09 | H091 | 178.6° | 179.9° |
| C09 | C08 | C07 | N11 | 0.0° | 0.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | N11 | 2.1° | 0.2° |
| C08 | C09 | C10 | H101 | 177.9° | 180.0° |
| C07 | N11 | C10 | C09 | 2.2° | 0.2° |
| C07 | N11 | C10 | C12 | 177.4° | 179.9° |
| C07 | N11 | C12 | C13 | 84.9° | 85.0° |
| C07 | N11 | C10 | H101 | 177.8° | 180.0° |
| C07 | N11 | C12 | H122 | 36.2° | 35.1° |
| C07 | N11 | C12 | H121 | 154.1° | 155.0° |
| C09 | C10 | N11 | H101 | 180.0° | 179.7° |
| C09 | C10 | N11 | C12 | 179.5° | 179.9° |
| C10 | N11 | C12 | C13 | 92.0° | 95.2° |
| C10 | N11 | C12 | H122 | 146.9° | 144.8° |
| C10 | N11 | C12 | H121 | 29.1° | 24.9° |
| N11 | C10 | C09 | H091 | 177.9° | 179.8° |
| N11 | C12 | C13 | H122 | 121.1° | 120.0° |
| N11 | C12 | C13 | H121 | 121.0° | 120.0° |
| N11 | C12 | C13 | O22 | 13.8° | 0.1° |
| N11 | C12 | C13 | N14 | 168.2° | 180.0° |
| C12 | N11 | C10 | H101 | 0.5° | 0.1° |
| N11 | C12 | H122 | H121 | 116.6° | 120.0° |
| C12 | C13 | O22 | N14 | 177.6° | 179.9° |
| C12 | C13 | N14 | C15 | 175.9° | 175.8° |
| C13 | C12 | H122 | H121 | 116.6° | 120.0° |
| C12 | C13 | N14 | H141 | 4.1° | 4.2° |
| O22 | C13 | N14 | C15 | 1.9° | 4.3° |
| O22 | C13 | C12 | H122 | 107.3° | 120.1° |
| O22 | C13 | C12 | H121 | 134.8° | 120.0° |
| O22 | C13 | N14 | H141 | 178.1° | 175.8° |
| C13 | N14 | C15 | H141 | 180.0° | 180.0° |
| C13 | N14 | C15 | C16 | 25.1° | 34.1° |
| C13 | N14 | C15 | C20 | 162.8° | 146.3° |
| N14 | C13 | C12 | H122 | 70.7° | 60.0° |
| N14 | C13 | C12 | H121 | 47.2° | 60.0° |
| N14 | C15 | C16 | C20 | 172.1° | 179.7° |
| N14 | C15 | C16 | C17 | 176.0° | 180.0° |
| N14 | C15 | C20 | C19 | 176.4° | 180.0° |
| N14 | C15 | C20 | CL21 | 2.6° | 0.0° |
| N14 | C15 | C16 | H161 | 4.0° | 0.1° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | N18 | 2.2° | 0.0° |
| C16 | C15 | C20 | C19 | 3.9° | 0.3° |
| C16 | C15 | C20 | CL21 | 175.1° | 179.7° |
| C16 | C15 | N14 | H141 | 154.9° | 146.0° |
| C15 | C16 | C17 | H171 | 177.8° | 180.0° |
| C17 | C16 | C15 | C20 | 3.9° | 0.3° |
| C16 | C17 | N18 | H171 | 180.0° | 180.0° |
| C16 | C17 | N18 | C19 | 0.4° | 0.3° |
| C15 | C20 | C19 | CL21 | 179.0° | 180.0° |
| C15 | C20 | C19 | N18 | 2.3° | 0.0° |
| C20 | C15 | N14 | H141 | 17.2° | 33.7° |
| C20 | C15 | C16 | H161 | 176.1° | 179.8° |
| C15 | C20 | C19 | H191 | 177.7° | 180.0° |
| C17 | N18 | C19 | C20 | 0.5° | 0.4° |
| N18 | C17 | C16 | H161 | 177.8° | 179.9° |
| C17 | N18 | C19 | H191 | 179.5° | 179.7° |
| C20 | C19 | N18 | H191 | 180.0° | 179.9° |
| CL21 | C20 | C19 | N18 | 176.7° | 180.0° |
| CL21 | C20 | C19 | H191 | 3.3° | 0.0° |
| C19 | N18 | C17 | H171 | 179.6° | 179.7° |
| H101 | C10 | C09 | H091 | 2.1° | 0.0° |
| H161 | C16 | C17 | H171 | 2.1° | 0.0° |






