N55
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.31Å | 1.32Å | |
| C17 | C11 | sing | 1.51Å | 1.53Å | |
| C16 | N15 | doub | 1.31Å | 1.34Å | Aromatic |
| C16 | N12 | sing | 1.35Å | 1.33Å | Aromatic |
| N15 | C14 | sing | 1.34Å | 1.32Å | Aromatic |
| C11 | N12 | sing | 1.46Å | 1.43Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| N12 | C13 | sing | 1.37Å | 1.30Å | Aromatic |
| C19 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C07 | doub | 1.39Å | 1.37Å | Aromatic |
| CL1 | C03 | sing | 1.74Å | 1.79Å | |
| C09 | C08 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.37Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.48Å | 1.49Å | |
| C03 | C02 | sing | 1.39Å | 1.36Å | Aromatic |
| C06 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.36Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.38Å | |
| C02 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C11 | 121.9° | 120.0° |
| C18 | C17 | H171 | 119.0° | 120.1° |
| C17 | C18 | H181 | 120.0° | 120.0° |
| C17 | C18 | H182 | 120.0° | 119.9° |
| C17 | C11 | N12 | 105.5° | 109.5° |
| C17 | C11 | C10 | 107.4° | 109.4° |
| C11 | C17 | H171 | 119.1° | 119.9° |
| C17 | C11 | H111 | 108.8° | 109.4° |
| N15 | C16 | N12 | 107.0° | 108.7° |
| C16 | N15 | C14 | 108.0° | 109.3° |
| N15 | C16 | H161 | 126.5° | 125.6° |
| C16 | N12 | C11 | 124.9° | 126.4° |
| C16 | N12 | C13 | 109.8° | 107.2° |
| N12 | C16 | H161 | 126.5° | 125.7° |
| N15 | C14 | C13 | 108.1° | 108.0° |
| N15 | C14 | H141 | 126.0° | 126.0° |
| N12 | C11 | C10 | 115.8° | 109.5° |
| C11 | N12 | C13 | 125.1° | 126.4° |
| N12 | C11 | H111 | 110.2° | 109.5° |
| C11 | C10 | C19 | 124.9° | 119.8° |
| C11 | C10 | C09 | 115.1° | 119.9° |
| C10 | C11 | H111 | 108.9° | 109.5° |
| N12 | C13 | C14 | 107.1° | 106.9° |
| N12 | C13 | H131 | 126.5° | 126.5° |
| C10 | C19 | C20 | 118.9° | 120.1° |
| C19 | C10 | C09 | 119.9° | 120.3° |
| C10 | C19 | H191 | 120.6° | 120.0° |
| C19 | C20 | C07 | 120.4° | 119.9° |
| C19 | C20 | H201 | 119.8° | 120.1° |
| C20 | C19 | H191 | 120.6° | 119.9° |
| C10 | C09 | C08 | 120.6° | 120.1° |
| C10 | C09 | H091 | 119.7° | 119.9° |
| C20 | C07 | C08 | 120.3° | 119.8° |
| C20 | C07 | C06 | 119.9° | 120.1° |
| C07 | C20 | H201 | 119.8° | 120.1° |
| CL1 | C03 | C05 | 119.2° | 120.0° |
| CL1 | C03 | C02 | 118.6° | 120.0° |
| C09 | C08 | C07 | 119.9° | 119.9° |
| C09 | C08 | H081 | 120.1° | 120.0° |
| C08 | C09 | H091 | 119.7° | 119.9° |
| C03 | C05 | C06 | 119.7° | 119.9° |
| C05 | C03 | C02 | 122.2° | 120.0° |
| C03 | C05 | H051 | 120.2° | 120.1° |
| C05 | C06 | C07 | 119.5° | 120.1° |
| C05 | C06 | C21 | 118.9° | 119.9° |
| C06 | C05 | H051 | 120.2° | 120.0° |
| C08 | C07 | C06 | 119.8° | 120.2° |
| C07 | C08 | H081 | 120.0° | 120.1° |
| C07 | C06 | C21 | 121.6° | 120.1° |
| C03 | C02 | O01 | 120.2° | 119.9° |
| C03 | C02 | C22 | 118.6° | 120.1° |
| C06 | C21 | C22 | 120.7° | 119.9° |
| C06 | C21 | H211 | 119.6° | 120.0° |
| C14 | C13 | H131 | 126.5° | 126.6° |
| C13 | C14 | H141 | 125.9° | 126.0° |
| O01 | C02 | C22 | 121.2° | 120.0° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C02 | C22 | C21 | 119.9° | 120.1° |
| C02 | C22 | H221 | 120.0° | 119.9° |
| C22 | C21 | H211 | 119.7° | 120.0° |
| C21 | C22 | H221 | 120.0° | 120.0° |
| H181 | C18 | H182 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C11 | H171 | 180.0° | 180.0° |
| C18 | C17 | C11 | N12 | 106.4° | 120.0° |
| C18 | C17 | C11 | C10 | 129.6° | 120.0° |
| C18 | C17 | C11 | H111 | 11.9° | 0.1° |
| C17 | C18 | H181 | H182 | 180.0° | 180.0° |
| C17 | C11 | N12 | C16 | 38.0° | 60.3° |
| C17 | C11 | N12 | C10 | 118.6° | 120.0° |
| C17 | C11 | N12 | H111 | 117.3° | 120.0° |
| C17 | C11 | C10 | H111 | 117.6° | 119.9° |
| C17 | C11 | N12 | C13 | 138.5° | 120.0° |
| C17 | C11 | C10 | C19 | 94.1° | 59.8° |
| C17 | C11 | C10 | C09 | 82.7° | 120.0° |
| C11 | C17 | C18 | H181 | 180.0° | 0.0° |
| C11 | C17 | C18 | H182 | 0.0° | 180.0° |
| N15 | C16 | N12 | H161 | 180.0° | 179.5° |
| N15 | C16 | N12 | C11 | 178.4° | 179.8° |
| N15 | C16 | N12 | C13 | 1.5° | 0.5° |
| C16 | N15 | C14 | C13 | 0.3° | 0.3° |
| C16 | N15 | C14 | H141 | 179.7° | 179.7° |
| N12 | C16 | N15 | C14 | 1.0° | 0.5° |
| C16 | N12 | C11 | C13 | 176.5° | 179.6° |
| C16 | N12 | C11 | C10 | 80.6° | 59.7° |
| C16 | N12 | C13 | C14 | 1.3° | 0.3° |
| C16 | N12 | C13 | H131 | 178.7° | 179.8° |
| C16 | N12 | C11 | H111 | 155.2° | 179.7° |
| N15 | C14 | C13 | N12 | 0.6° | 0.0° |
| N15 | C14 | C13 | H141 | 180.0° | 180.0° |
| N15 | C14 | C13 | H131 | 179.3° | 179.9° |
| C14 | N15 | C16 | H161 | 178.9° | 180.0° |
| N12 | C11 | C10 | H111 | 124.8° | 120.0° |
| N12 | C11 | C10 | C19 | 23.4° | 60.3° |
| N12 | C11 | C10 | C09 | 159.8° | 120.0° |
| C11 | N12 | C13 | C14 | 178.2° | 180.0° |
| C11 | N12 | C13 | H131 | 1.7° | 0.1° |
| N12 | C11 | C17 | H171 | 73.7° | 60.0° |
| C11 | N12 | C16 | H161 | 1.6° | 0.3° |
| C10 | C11 | N12 | C13 | 102.9° | 120.0° |
| C11 | C10 | C19 | C09 | 176.7° | 179.7° |
| C11 | C10 | C19 | C20 | 178.4° | 179.7° |
| C11 | C10 | C09 | C08 | 178.1° | 180.0° |
| C10 | C11 | C17 | H171 | 50.4° | 60.1° |
| C11 | C10 | C09 | H091 | 1.9° | 0.0° |
| C11 | C10 | C19 | H191 | 1.6° | 0.3° |
| N12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C13 | N12 | C11 | H111 | 21.2° | 0.0° |
| N12 | C13 | C14 | H141 | 179.4° | 180.0° |
| C13 | N12 | C16 | H161 | 178.5° | 180.0° |
| C10 | C19 | C20 | H191 | 180.0° | 179.9° |
| C10 | C19 | C20 | C07 | 2.2° | 0.0° |
| C19 | C10 | C09 | C08 | 1.2° | 0.3° |
| C10 | C19 | C20 | H201 | 177.8° | 179.7° |
| C19 | C10 | C09 | H091 | 178.9° | 179.8° |
| C19 | C10 | C11 | H111 | 148.2° | 179.7° |
| C20 | C19 | C10 | C09 | 1.8° | 0.0° |
| C19 | C20 | C07 | H201 | 180.0° | 179.8° |
| C19 | C20 | C07 | C08 | 2.0° | 0.2° |
| C19 | C20 | C07 | C06 | 177.4° | 179.7° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.9° | 0.5° |
| C10 | C09 | C08 | H081 | 179.1° | 180.0° |
| C09 | C10 | C11 | H111 | 35.0° | 0.1° |
| C09 | C10 | C19 | H191 | 178.3° | 179.9° |
| C20 | C07 | C08 | C09 | 1.3° | 0.5° |
| C20 | C07 | C06 | C05 | 153.5° | 180.0° |
| C20 | C07 | C08 | C06 | 179.4° | 179.9° |
| C20 | C07 | C06 | C21 | 25.7° | 0.6° |
| C20 | C07 | C08 | H081 | 178.7° | 180.0° |
| C07 | C20 | C19 | H191 | 177.8° | 179.9° |
| CL1 | C03 | C05 | C02 | 179.3° | 180.0° |
| CL1 | C03 | C05 | C06 | 176.8° | 179.8° |
| CL1 | C03 | C02 | O01 | 3.0° | 0.0° |
| CL1 | C03 | C02 | C22 | 176.8° | 180.0° |
| CL1 | C03 | C05 | H051 | 3.2° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 179.5° |
| C09 | C08 | C07 | C06 | 178.0° | 179.5° |
| C03 | C05 | C06 | H051 | 180.0° | 179.8° |
| C03 | C05 | C06 | C07 | 179.2° | 180.0° |
| C03 | C05 | C06 | C21 | 1.5° | 0.5° |
| C05 | C03 | C02 | O01 | 177.7° | 180.0° |
| C05 | C03 | C02 | C22 | 2.5° | 0.0° |
| C05 | C06 | C07 | C08 | 25.9° | 0.1° |
| C05 | C06 | C07 | C21 | 179.2° | 179.5° |
| C06 | C05 | C03 | C02 | 2.5° | 0.2° |
| C05 | C06 | C21 | C22 | 0.7° | 0.5° |
| C05 | C06 | C21 | H211 | 179.3° | 179.8° |
| C08 | C07 | C06 | C21 | 154.9° | 179.5° |
| C08 | C07 | C20 | H201 | 178.0° | 180.0° |
| C07 | C08 | C09 | H091 | 179.1° | 179.5° |
| C07 | C06 | C21 | C22 | 179.9° | 180.0° |
| C06 | C07 | C20 | H201 | 2.6° | 0.0° |
| C07 | C06 | C21 | H211 | 0.1° | 0.4° |
| C07 | C06 | C05 | H051 | 0.8° | 0.2° |
| C06 | C07 | C08 | H081 | 2.0° | 0.0° |
| C03 | C02 | O01 | C22 | 179.8° | 180.0° |
| C03 | C02 | C22 | C21 | 1.5° | 0.0° |
| C03 | C02 | C22 | H221 | 178.5° | 180.0° |
| C02 | C03 | C05 | H051 | 177.5° | 180.0° |
| C03 | C02 | O01 | H011 | 180.0° | 90.1° |
| C06 | C21 | C22 | C02 | 0.7° | 0.3° |
| C06 | C21 | C22 | H211 | 180.0° | 179.6° |
| C06 | C21 | C22 | H221 | 179.3° | 179.7° |
| C21 | C06 | C05 | H051 | 178.5° | 179.7° |
| O01 | C02 | C22 | C21 | 178.7° | 179.9° |
| O01 | C02 | C22 | H221 | 1.3° | 0.1° |
| C02 | C22 | C21 | H221 | 180.0° | 180.0° |
| C02 | C22 | C21 | H211 | 179.4° | 179.9° |
| C22 | C02 | O01 | H011 | 0.2° | 90.0° |
| H131 | C13 | C14 | H141 | 0.7° | 0.1° |
| H171 | C17 | C11 | H111 | 168.1° | 180.0° |
| H171 | C17 | C18 | H181 | 0.0° | 180.0° |
| H171 | C17 | C18 | H182 | 180.0° | 0.0° |
| H201 | C20 | C19 | H191 | 2.1° | 0.3° |
| H211 | C21 | C22 | H221 | 0.7° | 0.0° |
| H081 | C08 | C09 | H091 | 0.9° | 0.0° |
