RMM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.49Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.49Å | Aromatic |
| C09 | C08 | doub | 1.40Å | 1.36Å | Aromatic |
| N01 | C02 | trip | 1.14Å | 1.14Å | |
| C17 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | N16 | doub | 1.31Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.49Å | |
| C12 | C18 | doub | 1.39Å | 1.36Å | Aromatic |
| C02 | C03 | sing | 1.43Å | 1.49Å | |
| C08 | C18 | sing | 1.40Å | 1.49Å | Aromatic |
| C08 | C07 | sing | 1.47Å | 1.49Å | |
| C13 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| N16 | N15 | sing | 1.40Å | 1.35Å | Aromatic |
| C03 | C07 | doub | 1.37Å | 1.49Å | |
| C03 | C04 | sing | 1.47Å | 1.49Å | |
| C14 | N15 | sing | 1.35Å | 1.39Å | Aromatic |
| C04 | N05 | sing | 1.35Å | 1.43Å | |
| C04 | O06 | doub | 1.22Å | 1.22Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N05 | H052 | sing | 0.97Å | 1.00Å | |
| C07 | H072 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 119.8° | 120.3° |
| C10 | C11 | C12 | 120.1° | 120.3° |
| C11 | C10 | H101 | 120.1° | 119.9° |
| C10 | C11 | H111 | 119.9° | 119.9° |
| C10 | C09 | C08 | 120.0° | 120.1° |
| C10 | C09 | H091 | 120.0° | 119.9° |
| C09 | C10 | H101 | 120.1° | 119.8° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C11 | C12 | C18 | 120.0° | 119.9° |
| C12 | C11 | H111 | 120.0° | 119.8° |
| C09 | C08 | C18 | 120.1° | 119.7° |
| C09 | C08 | C07 | 120.7° | 120.2° |
| C08 | C09 | H091 | 120.0° | 120.0° |
| N01 | C02 | C03 | 179.4° | 180.0° |
| C13 | C17 | N16 | 106.3° | 108.1° |
| C17 | C13 | C12 | 125.7° | 126.2° |
| C17 | C13 | C14 | 108.4° | 107.5° |
| C13 | C17 | H171 | 126.8° | 125.9° |
| C17 | N16 | N15 | 109.2° | 108.5° |
| N16 | C17 | H171 | 126.9° | 126.0° |
| C13 | C12 | C18 | 119.4° | 120.1° |
| C12 | C13 | C14 | 126.0° | 126.2° |
| C12 | C18 | C08 | 119.9° | 119.7° |
| C12 | C18 | H181 | 120.1° | 120.1° |
| C02 | C03 | C07 | 110.1° | 120.0° |
| C02 | C03 | C04 | 109.2° | 120.0° |
| C18 | C08 | C07 | 119.2° | 120.1° |
| C08 | C18 | H181 | 120.0° | 120.2° |
| C08 | C07 | C03 | 123.8° | 120.0° |
| C08 | C07 | H072 | 118.1° | 120.0° |
| C13 | C14 | N15 | 107.4° | 107.6° |
| C13 | C14 | H141 | 126.3° | 126.2° |
| N16 | N15 | C14 | 108.8° | 108.2° |
| N16 | N15 | H151 | 125.6° | 125.9° |
| C07 | C03 | C04 | 109.2° | 120.0° |
| C03 | C07 | H072 | 118.1° | 120.0° |
| C03 | C04 | N05 | 120.0° | 120.0° |
| C03 | C04 | O06 | 119.6° | 120.0° |
| N15 | C14 | H141 | 126.3° | 126.2° |
| C14 | N15 | H151 | 125.6° | 125.9° |
| N05 | C04 | O06 | 120.4° | 120.0° |
| C04 | N05 | H051 | 120.0° | 120.0° |
| C04 | N05 | H052 | 120.0° | 119.9° |
| H051 | N05 | H052 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H101 | 180.0° | 179.9° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C11 | C10 | C09 | C08 | 0.2° | 0.0° |
| C10 | C11 | C12 | C13 | 179.4° | 180.0° |
| C10 | C11 | C12 | C18 | 0.4° | 0.1° |
| C11 | C10 | C09 | H091 | 179.8° | 180.0° |
| C09 | C10 | C11 | C12 | 0.1° | 0.1° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C10 | C09 | C08 | C18 | 0.4° | 0.0° |
| C10 | C09 | C08 | C07 | 180.0° | 179.7° |
| C09 | C10 | C11 | H111 | 179.9° | 180.0° |
| C11 | C12 | C13 | C17 | 22.4° | 179.8° |
| C11 | C12 | C13 | C18 | 179.0° | 180.0° |
| C11 | C12 | C18 | C08 | 0.6° | 0.0° |
| C11 | C12 | C13 | C14 | 158.8° | 0.0° |
| C12 | C11 | C10 | H101 | 179.9° | 180.0° |
| C11 | C12 | C18 | H181 | 179.4° | 179.7° |
| C09 | C08 | C18 | C12 | 0.7° | 0.0° |
| C09 | C08 | C18 | C07 | 179.6° | 179.7° |
| C09 | C08 | C07 | C03 | 29.9° | 35.8° |
| C09 | C08 | C07 | H072 | 150.1° | 144.3° |
| C08 | C09 | C10 | H101 | 179.8° | 180.0° |
| C09 | C08 | C18 | H181 | 179.4° | 179.7° |
| N01 | C02 | C03 | C07 | 44.5° | 136.7° |
| N01 | C02 | C03 | C04 | 164.4° | 43.1° |
| C13 | C17 | N16 | H171 | 180.0° | 180.0° |
| C17 | C13 | C12 | C14 | 178.8° | 179.8° |
| C17 | C13 | C12 | C18 | 156.6° | 0.3° |
| C13 | C17 | N16 | N15 | 0.3° | 0.4° |
| C17 | C13 | C14 | N15 | 0.4° | 0.1° |
| C17 | C13 | C14 | H141 | 179.6° | 179.8° |
| N16 | C17 | C13 | C12 | 179.4° | 179.9° |
| N16 | C17 | C13 | C14 | 0.5° | 0.3° |
| C17 | N16 | N15 | C14 | 0.1° | 0.3° |
| C17 | N16 | N15 | H151 | 180.0° | 179.8° |
| C13 | C12 | C18 | C08 | 179.6° | 180.0° |
| C12 | C13 | C14 | N15 | 179.4° | 180.0° |
| C13 | C12 | C11 | H111 | 0.6° | 0.1° |
| C12 | C13 | C14 | H141 | 0.7° | 0.0° |
| C12 | C13 | C17 | H171 | 0.6° | 0.1° |
| C13 | C12 | C18 | H181 | 0.4° | 0.3° |
| C12 | C18 | C08 | H181 | 180.0° | 179.7° |
| C12 | C18 | C08 | C07 | 179.7° | 179.7° |
| C18 | C12 | C13 | C14 | 22.2° | 179.9° |
| C18 | C12 | C11 | H111 | 179.6° | 180.0° |
| C02 | C03 | C07 | C08 | 23.8° | 7.5° |
| C02 | C03 | C07 | C04 | 119.9° | 179.8° |
| C02 | C03 | C04 | N05 | 101.9° | 0.0° |
| C02 | C03 | C04 | O06 | 77.8° | 180.0° |
| C02 | C03 | C07 | H072 | 156.2° | 172.5° |
| C18 | C08 | C07 | C03 | 150.5° | 144.5° |
| C18 | C08 | C07 | H072 | 29.5° | 35.4° |
| C18 | C08 | C09 | H091 | 179.6° | 180.0° |
| C08 | C07 | C03 | H072 | 180.0° | 179.9° |
| C08 | C07 | C03 | C04 | 143.7° | 172.7° |
| C07 | C08 | C09 | H091 | 0.0° | 0.3° |
| C07 | C08 | C18 | H181 | 0.3° | 0.0° |
| C13 | C14 | N15 | N16 | 0.2° | 0.1° |
| C13 | C14 | N15 | H141 | 180.0° | 179.9° |
| C13 | C14 | N15 | H151 | 179.7° | 180.0° |
| C14 | C13 | C17 | H171 | 179.5° | 179.7° |
| N16 | N15 | C14 | H151 | 180.0° | 179.9° |
| N16 | N15 | C14 | H141 | 179.8° | 180.0° |
| N15 | N16 | C17 | H171 | 179.7° | 179.7° |
| C07 | C03 | C04 | N05 | 137.7° | 179.8° |
| C07 | C03 | C04 | O06 | 42.6° | 0.2° |
| C03 | C04 | N05 | O06 | 179.7° | 180.0° |
| C03 | C04 | N05 | H051 | 179.7° | 0.0° |
| C03 | C04 | N05 | H052 | 0.3° | 180.0° |
| C04 | C03 | C07 | H072 | 36.3° | 7.3° |
| C04 | N05 | H051 | H052 | 180.0° | 179.9° |
| O06 | C04 | N05 | H051 | 0.0° | 179.9° |
| O06 | C04 | N05 | H052 | 180.0° | 0.0° |
| H091 | C09 | C10 | H101 | 0.2° | 0.0° |
| H101 | C10 | C11 | H111 | 0.1° | 0.1° |
| H141 | C14 | N15 | H151 | 0.2° | 0.1° |
