HM0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.54Å | 1.53Å | |
| C11 | C08 | sing | 1.54Å | 1.53Å | |
| C10 | C09 | sing | 1.54Å | 1.53Å | |
| C08 | C09 | sing | 1.54Å | 1.53Å | |
| C08 | N07 | sing | 1.46Å | 1.46Å | |
| N07 | C06 | sing | 1.35Å | 1.32Å | Aromatic |
| N07 | C03 | sing | 1.37Å | 1.33Å | Aromatic |
| C06 | C05 | doub | 1.36Å | 1.39Å | Aromatic |
| O12 | C02 | doub | 1.21Å | 1.26Å | |
| C03 | C02 | sing | 1.47Å | 1.53Å | |
| C03 | N04 | doub | 1.32Å | 1.32Å | Aromatic |
| C05 | N04 | sing | 1.33Å | 1.33Å | Aromatic |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| O01 | H5 | sing | 0.97Å | 0.95Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C08 | 89.1° | 87.1° |
| C11 | C10 | C09 | 89.6° | 87.1° |
| C11 | C10 | H1 | 114.2° | 113.6° |
| C11 | C10 | H2 | 114.2° | 113.7° |
| C10 | C11 | H3 | 114.3° | 113.7° |
| C10 | C11 | H4 | 114.3° | 113.6° |
| C11 | C08 | C09 | 89.4° | 87.1° |
| C11 | C08 | N07 | 122.5° | 113.6° |
| C08 | C11 | H3 | 114.3° | 113.7° |
| C08 | C11 | H4 | 114.3° | 113.6° |
| C11 | C08 | H8 | 108.5° | 113.6° |
| C10 | C09 | C08 | 89.2° | 87.1° |
| C09 | C10 | H1 | 114.2° | 113.5° |
| C09 | C10 | H2 | 114.2° | 113.6° |
| C10 | C09 | H9 | 114.3° | 113.7° |
| C10 | C09 | H10 | 114.3° | 113.6° |
| C09 | C08 | N07 | 116.4° | 113.6° |
| C09 | C08 | H8 | 108.6° | 113.6° |
| C08 | C09 | H9 | 114.3° | 113.6° |
| C08 | C09 | H10 | 114.3° | 113.6° |
| C08 | N07 | C06 | 125.9° | 126.4° |
| C08 | N07 | C03 | 125.5° | 126.4° |
| N07 | C08 | H8 | 109.5° | 112.9° |
| C06 | N07 | C03 | 108.6° | 107.1° |
| N07 | C06 | C05 | 106.8° | 107.2° |
| N07 | C06 | H7 | 126.6° | 126.4° |
| N07 | C03 | C02 | 126.5° | 125.9° |
| N07 | C03 | N04 | 109.2° | 108.3° |
| C06 | C05 | N04 | 107.2° | 108.4° |
| C06 | C05 | H6 | 126.4° | 125.8° |
| C05 | C06 | H7 | 126.6° | 126.4° |
| O12 | C02 | C03 | 120.8° | 120.0° |
| O12 | C02 | O01 | 120.0° | 120.0° |
| C02 | C03 | N04 | 124.3° | 125.9° |
| C03 | C02 | O01 | 119.2° | 119.9° |
| C03 | N04 | C05 | 108.2° | 109.0° |
| N04 | C05 | H6 | 126.4° | 125.8° |
| C02 | O01 | H5 | 109.5° | 116.9° |
| H1 | C10 | H2 | 109.4° | 112.9° |
| H3 | C11 | H4 | 109.5° | 112.9° |
| H9 | C09 | H10 | 109.4° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C08 | H3 | 116.4° | 114.6° |
| C10 | C11 | C08 | H4 | 116.4° | 114.5° |
| C11 | C10 | C09 | H1 | 116.5° | 114.6° |
| C11 | C10 | C09 | H2 | 116.5° | 114.6° |
| C10 | C11 | C08 | C09 | 12.3° | 25.5° |
| C10 | C11 | C08 | N07 | 133.7° | 89.1° |
| C11 | C10 | H1 | H2 | 129.4° | 131.4° |
| C10 | C11 | H3 | H4 | 129.7° | 131.2° |
| C10 | C11 | C08 | H8 | 97.2° | 140.0° |
| C11 | C10 | C09 | H9 | 104.1° | 140.0° |
| C11 | C10 | C09 | H10 | 128.7° | 89.1° |
| C11 | C08 | C09 | N07 | 126.5° | 114.6° |
| C11 | C08 | C09 | H8 | 109.4° | 114.5° |
| C11 | C08 | N07 | H8 | 128.7° | 131.2° |
| C11 | C08 | N07 | C06 | 18.9° | 60.0° |
| C11 | C08 | N07 | C03 | 160.2° | 120.5° |
| C08 | C11 | C10 | H1 | 128.8° | 89.0° |
| C08 | C11 | C10 | H2 | 104.3° | 140.0° |
| C08 | C11 | H3 | H4 | 129.6° | 131.2° |
| C11 | C08 | C09 | H9 | 104.2° | 140.0° |
| C11 | C08 | C09 | H10 | 128.7° | 89.1° |
| C10 | C09 | C08 | H9 | 116.4° | 114.6° |
| C10 | C09 | C08 | H10 | 116.4° | 114.5° |
| C10 | C09 | C08 | N07 | 138.8° | 89.1° |
| C09 | C10 | H1 | H2 | 129.4° | 131.2° |
| C09 | C10 | C11 | H3 | 128.7° | 89.2° |
| C09 | C10 | C11 | H4 | 104.1° | 140.0° |
| C10 | C09 | C08 | H8 | 97.1° | 139.9° |
| C10 | C09 | H9 | H10 | 129.7° | 131.3° |
| C09 | C08 | N07 | H8 | 123.6° | 131.3° |
| C09 | C08 | N07 | C06 | 88.7° | 37.5° |
| C09 | C08 | N07 | C03 | 92.2° | 142.0° |
| C08 | C09 | C10 | H1 | 128.8° | 89.1° |
| C08 | C09 | C10 | H2 | 104.2° | 140.1° |
| C09 | C08 | C11 | H3 | 128.6° | 89.1° |
| C09 | C08 | C11 | H4 | 104.2° | 140.0° |
| C08 | C09 | H9 | H10 | 129.6° | 131.2° |
| C08 | N07 | C06 | C03 | 179.2° | 179.6° |
| C08 | N07 | C06 | C05 | 179.5° | 179.9° |
| C08 | N07 | C03 | C02 | 0.9° | 0.3° |
| C08 | N07 | C03 | N04 | 179.8° | 180.0° |
| N07 | C08 | C11 | H3 | 109.9° | 156.3° |
| N07 | C08 | C11 | H4 | 17.3° | 25.4° |
| C08 | N07 | C06 | H7 | 0.5° | 0.3° |
| N07 | C08 | C09 | H9 | 22.3° | 25.5° |
| N07 | C08 | C09 | H10 | 104.8° | 156.4° |
| N07 | C06 | C05 | H7 | 180.0° | 179.8° |
| C06 | N07 | C03 | C02 | 179.9° | 179.9° |
| C06 | N07 | C03 | N04 | 0.5° | 0.4° |
| N07 | C06 | C05 | N04 | 0.1° | 0.2° |
| N07 | C06 | C05 | H6 | 180.0° | 179.8° |
| C06 | N07 | C08 | H8 | 147.7° | 168.8° |
| C03 | N07 | C06 | C05 | 0.3° | 0.4° |
| N07 | C03 | C02 | O12 | 3.1° | 0.3° |
| N07 | C03 | C02 | N04 | 179.2° | 179.6° |
| N07 | C03 | N04 | C05 | 0.6° | 0.3° |
| N07 | C03 | C02 | O01 | 176.7° | 179.7° |
| C03 | N07 | C06 | H7 | 179.7° | 179.8° |
| C03 | N07 | C08 | H8 | 31.4° | 10.7° |
| C06 | C05 | N04 | C03 | 0.4° | 0.1° |
| C06 | C05 | N04 | H6 | 180.0° | 180.0° |
| O12 | C02 | C03 | O01 | 179.8° | 179.9° |
| O12 | C02 | C03 | N04 | 177.7° | 179.9° |
| O12 | C02 | O01 | H5 | 0.0° | 0.0° |
| C02 | C03 | N04 | C05 | 179.9° | 180.0° |
| C03 | C02 | O01 | H5 | 179.9° | 180.0° |
| N04 | C03 | C02 | O01 | 2.5° | 0.0° |
| C03 | N04 | C05 | H6 | 179.6° | 180.0° |
| N04 | C05 | C06 | H7 | 179.9° | 180.0° |
| H1 | C10 | C11 | H3 | 114.8° | 156.4° |
| H1 | C10 | C11 | H4 | 12.4° | 25.5° |
| H1 | C10 | C09 | H9 | 12.4° | 25.4° |
| H1 | C10 | C09 | H10 | 114.8° | 156.3° |
| H2 | C10 | C11 | H3 | 12.2° | 25.4° |
| H2 | C10 | C11 | H4 | 139.4° | 105.4° |
| H2 | C10 | C09 | H9 | 139.4° | 105.4° |
| H2 | C10 | C09 | H10 | 12.2° | 25.5° |
| H3 | C11 | C08 | H8 | 19.2° | 25.4° |
| H4 | C11 | C08 | H8 | 146.4° | 105.5° |
| H6 | C05 | C06 | H7 | 0.1° | 0.0° |
| H8 | C08 | C09 | H9 | 146.4° | 105.5° |
| H8 | C08 | C09 | H10 | 19.3° | 25.4° |
