8M9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C14 | sing | 1.51Å | 1.54Å | |
| C19 | O18 | sing | 1.43Å | 1.41Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | N16 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| N16 | C11 | doub | 1.32Å | 1.31Å | Aromatic |
| C13 | O18 | sing | 1.36Å | 1.42Å | |
| C13 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.56Å | |
| C12 | C17 | sing | 1.51Å | 1.53Å | |
| C10 | N09 | sing | 1.47Å | 1.46Å | |
| N09 | N08 | sing | 1.40Å | 1.31Å | Aromatic |
| N09 | C06 | sing | 1.36Å | 1.37Å | Aromatic |
| N01 | C06 | doub | 1.33Å | 1.36Å | Aromatic |
| N01 | C02 | sing | 1.32Å | 1.34Å | Aromatic |
| N08 | C07 | doub | 1.30Å | 1.35Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.42Å | Aromatic |
| N22 | C02 | sing | 1.38Å | 1.42Å | |
| C02 | N03 | doub | 1.33Å | 1.33Å | Aromatic |
| C07 | C05 | sing | 1.46Å | 1.46Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.43Å | Aromatic |
| N03 | C04 | sing | 1.32Å | 1.36Å | Aromatic |
| C04 | CL1 | sing | 1.74Å | 1.75Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| N22 | H14 | sing | 0.97Å | 1.00Å | |
| N22 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C14 | C15 | 119.6° | 120.5° |
| C20 | C14 | C13 | 121.4° | 120.4° |
| C14 | C20 | H7 | 109.5° | 109.5° |
| C14 | C20 | H8 | 109.4° | 109.5° |
| C14 | C20 | H9 | 109.5° | 109.4° |
| C19 | O18 | C13 | 116.1° | 117.0° |
| O18 | C19 | H11 | 109.5° | 109.5° |
| O18 | C19 | H12 | 109.5° | 109.5° |
| O18 | C19 | H13 | 109.5° | 109.5° |
| C14 | C15 | N16 | 121.4° | 120.8° |
| C15 | C14 | C13 | 119.0° | 119.1° |
| C14 | C15 | H3 | 119.3° | 119.6° |
| C15 | N16 | C11 | 122.5° | 121.9° |
| N16 | C15 | H3 | 119.3° | 119.6° |
| C14 | C13 | O18 | 121.9° | 120.9° |
| C14 | C13 | C12 | 117.0° | 118.3° |
| N16 | C11 | C12 | 119.9° | 120.8° |
| N16 | C11 | C10 | 119.8° | 119.6° |
| O18 | C13 | C12 | 121.2° | 120.8° |
| C13 | C12 | C11 | 120.3° | 119.1° |
| C13 | C12 | C17 | 119.9° | 120.4° |
| C12 | C11 | C10 | 120.4° | 119.6° |
| C11 | C12 | C17 | 119.8° | 120.4° |
| C11 | C10 | N09 | 105.6° | 109.5° |
| C11 | C10 | H1 | 110.4° | 109.5° |
| C11 | C10 | H2 | 110.5° | 109.5° |
| C12 | C17 | H4 | 109.5° | 109.5° |
| C12 | C17 | H5 | 109.5° | 109.5° |
| C12 | C17 | H6 | 109.5° | 109.5° |
| C10 | N09 | N08 | 124.0° | 125.3° |
| C10 | N09 | C06 | 124.8° | 125.4° |
| N09 | C10 | H1 | 110.4° | 109.4° |
| N09 | C10 | H2 | 110.4° | 109.4° |
| N08 | N09 | C06 | 111.2° | 109.3° |
| N09 | N08 | C07 | 110.8° | 110.1° |
| N09 | C06 | N01 | 135.8° | 134.7° |
| N09 | C06 | C05 | 106.5° | 106.7° |
| C06 | N01 | C02 | 122.2° | 120.5° |
| N01 | C06 | C05 | 117.8° | 118.7° |
| N01 | C02 | N22 | 118.9° | 118.8° |
| N01 | C02 | N03 | 122.2° | 122.5° |
| N08 | C07 | C05 | 106.8° | 107.7° |
| N08 | C07 | H10 | 126.6° | 126.2° |
| C06 | C05 | C07 | 104.8° | 106.3° |
| C06 | C05 | C04 | 118.0° | 118.7° |
| N22 | C02 | N03 | 119.0° | 118.8° |
| C02 | N22 | H14 | 109.5° | 120.0° |
| C02 | N22 | H15 | 109.5° | 120.0° |
| C02 | N03 | C04 | 120.2° | 121.1° |
| C07 | C05 | C04 | 137.2° | 135.0° |
| C05 | C07 | H10 | 126.6° | 126.2° |
| C05 | C04 | N03 | 119.7° | 118.6° |
| C05 | C04 | CL1 | 120.1° | 120.7° |
| N03 | C04 | CL1 | 120.2° | 120.7° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H6 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.4° | 109.4° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H7 | C20 | H9 | 109.5° | 109.4° |
| H8 | C20 | H9 | 109.5° | 109.4° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.4° | 109.4° |
| H14 | N22 | H15 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C14 | C15 | C13 | 179.9° | 179.9° |
| C20 | C14 | C15 | N16 | 179.9° | 179.9° |
| C20 | C14 | C13 | O18 | 0.8° | 0.1° |
| C20 | C14 | C13 | C12 | 179.8° | 179.7° |
| C20 | C14 | C15 | H3 | 0.1° | 0.1° |
| C14 | C20 | H7 | H8 | 120.0° | 120.0° |
| C14 | C20 | H7 | H9 | 120.0° | 120.0° |
| C14 | C20 | H8 | H9 | 120.0° | 119.9° |
| C19 | O18 | C13 | C14 | 87.7° | 90.2° |
| C19 | O18 | C13 | C12 | 93.4° | 90.0° |
| O18 | C19 | H11 | H12 | 120.0° | 120.1° |
| O18 | C19 | H11 | H13 | 120.0° | 120.0° |
| O18 | C19 | H12 | H13 | 120.0° | 120.0° |
| C14 | C15 | N16 | H3 | 180.0° | 180.0° |
| C14 | C15 | N16 | C11 | 0.3° | 0.3° |
| C15 | C14 | C13 | O18 | 179.3° | 180.0° |
| C15 | C14 | C13 | C12 | 0.4° | 0.2° |
| C15 | C14 | C20 | H7 | 89.9° | 90.0° |
| C15 | C14 | C20 | H8 | 150.0° | 150.0° |
| C15 | C14 | C20 | H9 | 30.1° | 30.0° |
| N16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C15 | N16 | C11 | C12 | 0.6° | 0.3° |
| C15 | N16 | C11 | C10 | 179.4° | 179.7° |
| C14 | C13 | O18 | C12 | 178.9° | 179.8° |
| C14 | C13 | C12 | C11 | 0.6° | 0.2° |
| C14 | C13 | C12 | C17 | 179.9° | 179.7° |
| C13 | C14 | C15 | H3 | 179.8° | 180.0° |
| C13 | C14 | C20 | H7 | 89.9° | 90.0° |
| C13 | C14 | C20 | H8 | 30.1° | 30.1° |
| C13 | C14 | C20 | H9 | 150.1° | 150.1° |
| N16 | C11 | C12 | C13 | 0.7° | 0.0° |
| N16 | C11 | C12 | C10 | 178.8° | 180.0° |
| N16 | C11 | C12 | C17 | 180.0° | 180.0° |
| N16 | C11 | C10 | N09 | 104.2° | 90.0° |
| N16 | C11 | C10 | H1 | 136.5° | 150.0° |
| N16 | C11 | C10 | H2 | 15.3° | 30.0° |
| C11 | N16 | C15 | H3 | 179.7° | 179.7° |
| O18 | C13 | C12 | C11 | 179.6° | 180.0° |
| O18 | C13 | C12 | C17 | 1.2° | 0.1° |
| C13 | O18 | C19 | H11 | 180.0° | 60.1° |
| C13 | O18 | C19 | H12 | 60.0° | 60.0° |
| C13 | O18 | C19 | H13 | 60.0° | 179.9° |
| C13 | C12 | C11 | C17 | 179.2° | 179.9° |
| C13 | C12 | C11 | C10 | 179.6° | 180.0° |
| C13 | C12 | C17 | H4 | 89.6° | 90.0° |
| C13 | C12 | C17 | H5 | 150.4° | 150.0° |
| C13 | C12 | C17 | H6 | 30.4° | 30.1° |
| C12 | C11 | C10 | N09 | 74.7° | 90.0° |
| C12 | C11 | C10 | H1 | 44.7° | 30.0° |
| C12 | C11 | C10 | H2 | 165.9° | 150.0° |
| C11 | C12 | C17 | H4 | 89.6° | 89.9° |
| C11 | C12 | C17 | H5 | 30.4° | 30.1° |
| C11 | C12 | C17 | H6 | 150.3° | 150.0° |
| C10 | C11 | C12 | C17 | 1.2° | 0.1° |
| C11 | C10 | N09 | H1 | 119.4° | 120.0° |
| C11 | C10 | N09 | H2 | 119.4° | 120.1° |
| C11 | C10 | N09 | N08 | 50.5° | 89.9° |
| C11 | C10 | N09 | C06 | 127.9° | 89.9° |
| C11 | C10 | H1 | H2 | 121.8° | 120.1° |
| C12 | C17 | H4 | H5 | 120.0° | 120.0° |
| C12 | C17 | H4 | H6 | 120.0° | 120.1° |
| C12 | C17 | H5 | H6 | 120.0° | 120.0° |
| C10 | N09 | N08 | C06 | 178.5° | 179.9° |
| C10 | N09 | C06 | N01 | 1.3° | 0.1° |
| C10 | N09 | N08 | C07 | 179.2° | 180.0° |
| C10 | N09 | C06 | C05 | 179.1° | 179.9° |
| N09 | C10 | H1 | H2 | 121.8° | 119.9° |
| N08 | N09 | C06 | N01 | 179.9° | 180.0° |
| N08 | N09 | C06 | C05 | 0.6° | 0.1° |
| N09 | N08 | C07 | C05 | 0.4° | 0.1° |
| N08 | N09 | C10 | H1 | 169.9° | 150.1° |
| N08 | N09 | C10 | H2 | 68.9° | 30.1° |
| N09 | N08 | C07 | H10 | 179.6° | 179.9° |
| N09 | C06 | N01 | C05 | 179.5° | 179.9° |
| N09 | C06 | N01 | C02 | 179.5° | 180.0° |
| C06 | N09 | N08 | C07 | 0.6° | 0.1° |
| N09 | C06 | C05 | C07 | 0.3° | 0.0° |
| N09 | C06 | C05 | C04 | 179.6° | 180.0° |
| C06 | N09 | C10 | H1 | 8.5° | 30.1° |
| C06 | N09 | C10 | H2 | 112.7° | 150.0° |
| C06 | N01 | C02 | N22 | 180.0° | 180.0° |
| C06 | N01 | C02 | N03 | 0.0° | 0.1° |
| N01 | C06 | C05 | C07 | 180.0° | 180.0° |
| N01 | C06 | C05 | C04 | 0.0° | 0.0° |
| C02 | N01 | C06 | C05 | 0.0° | 0.1° |
| N01 | C02 | N22 | N03 | 180.0° | 179.9° |
| N01 | C02 | N03 | C04 | 0.0° | 0.0° |
| N01 | C02 | N22 | H14 | 0.0° | 0.0° |
| N01 | C02 | N22 | H15 | 120.0° | 180.0° |
| N08 | C07 | C05 | C06 | 0.0° | 0.0° |
| N08 | C07 | C05 | H10 | 180.0° | 180.0° |
| N08 | C07 | C05 | C04 | 180.0° | 180.0° |
| C06 | C05 | C07 | C04 | 180.0° | 180.0° |
| C06 | C05 | C04 | N03 | 0.0° | 0.0° |
| C06 | C05 | C04 | CL1 | 180.0° | 180.0° |
| C06 | C05 | C07 | H10 | 180.0° | 180.0° |
| N22 | C02 | N03 | C04 | 180.0° | 179.9° |
| C02 | N22 | H14 | H15 | 120.0° | 180.0° |
| C02 | N03 | C04 | C05 | 0.1° | 0.0° |
| C02 | N03 | C04 | CL1 | 180.0° | 180.0° |
| N03 | C02 | N22 | H14 | 180.0° | 180.0° |
| N03 | C02 | N22 | H15 | 60.0° | 0.1° |
| C07 | C05 | C04 | N03 | 179.9° | 180.0° |
| C07 | C05 | C04 | CL1 | 0.0° | 0.0° |
| C05 | C04 | N03 | CL1 | 179.9° | 180.0° |
| C04 | C05 | C07 | H10 | 0.0° | 0.0° |
| H4 | C17 | H5 | H6 | 120.0° | 120.1° |
| H7 | C20 | H8 | H9 | 120.0° | 120.0° |
| H11 | C19 | H12 | H13 | 120.0° | 120.0° |
