HM2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.32Å | 1.49Å | Aromatic |
| N1 | C5 | doub | 1.33Å | 1.47Å | Aromatic |
| N2 | C6 | sing | 1.33Å | 1.33Å | Aromatic |
| N2 | C7 | doub | 1.33Å | 1.41Å | Aromatic |
| N3 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| N3 | C8 | sing | 1.32Å | 1.33Å | Aromatic |
| N4 | C7 | sing | 1.39Å | 1.40Å | |
| N4 | C10 | sing | 1.47Å | 1.48Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | doub | 1.38Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.39Å | 1.50Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.48Å | 1.49Å | Aromatic |
| C7 | C9 | sing | 1.40Å | 1.36Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.45Å | Aromatic |
| C8 | C18 | sing | 1.51Å | 1.49Å | |
| C9 | CL1 | sing | 1.74Å | 1.71Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.49Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.36Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C5 | 116.5° | 121.7° |
| N1 | C1 | C2 | 121.7° | 120.8° |
| N1 | C1 | H1 | 119.1° | 119.6° |
| N1 | C5 | C4 | 121.4° | 120.5° |
| N1 | C5 | C6 | 114.4° | 119.7° |
| C6 | N2 | C7 | 115.9° | 120.7° |
| N2 | C6 | N3 | 124.4° | 121.7° |
| N2 | C6 | C5 | 120.2° | 119.2° |
| N2 | C7 | N4 | 101.1° | 120.5° |
| N2 | C7 | C9 | 123.6° | 119.0° |
| C6 | N3 | C8 | 120.7° | 120.9° |
| N3 | C6 | C5 | 115.4° | 119.1° |
| N3 | C8 | C9 | 120.1° | 119.3° |
| N3 | C8 | C18 | 119.2° | 120.3° |
| C7 | N4 | C10 | 133.4° | 120.0° |
| C7 | N4 | HN4 | 102.2° | 120.0° |
| N4 | C7 | C9 | 134.8° | 120.5° |
| C10 | N4 | HN4 | 102.2° | 120.0° |
| N4 | C10 | C11 | 117.6° | 109.5° |
| N4 | C10 | H101 | 106.9° | 109.5° |
| N4 | C10 | H102 | 105.0° | 109.5° |
| C2 | C1 | H1 | 119.1° | 119.5° |
| C1 | C2 | C3 | 118.9° | 119.4° |
| C1 | C2 | H2 | 120.5° | 120.3° |
| C3 | C2 | H2 | 120.5° | 120.3° |
| C2 | C3 | C4 | 120.5° | 118.5° |
| C2 | C3 | H3 | 119.7° | 120.7° |
| C4 | C3 | H3 | 119.7° | 120.8° |
| C3 | C4 | C5 | 120.9° | 119.1° |
| C3 | C4 | H4 | 119.5° | 120.4° |
| C5 | C4 | H4 | 119.5° | 120.4° |
| C4 | C5 | C6 | 124.2° | 119.8° |
| C7 | C9 | C8 | 115.2° | 118.5° |
| C7 | C9 | CL1 | 126.1° | 120.8° |
| C9 | C8 | C18 | 120.7° | 120.4° |
| C8 | C9 | CL1 | 118.7° | 120.8° |
| C8 | C18 | H181 | 109.5° | 109.5° |
| C8 | C18 | H182 | 109.5° | 109.5° |
| C8 | C18 | H183 | 109.5° | 109.5° |
| C11 | C10 | H101 | 106.9° | 109.5° |
| C11 | C10 | H102 | 105.0° | 109.5° |
| C10 | C11 | C12 | 110.1° | 109.4° |
| C10 | C11 | H111 | 109.2° | 109.5° |
| C10 | C11 | H112 | 109.1° | 109.5° |
| H101 | C10 | H102 | 116.0° | 109.5° |
| C12 | C11 | H111 | 109.3° | 109.5° |
| C12 | C11 | H112 | 109.1° | 109.5° |
| C11 | C12 | C13 | 120.2° | 119.9° |
| C11 | C12 | C17 | 121.1° | 120.0° |
| H111 | C11 | H112 | 110.0° | 109.5° |
| C13 | C12 | C17 | 118.7° | 120.0° |
| C12 | C13 | C14 | 119.2° | 119.9° |
| C12 | C13 | H13 | 120.4° | 120.0° |
| C12 | C17 | C16 | 118.4° | 120.0° |
| C12 | C17 | H17 | 120.8° | 120.0° |
| C14 | C13 | H13 | 120.4° | 120.0° |
| C13 | C14 | C15 | 123.5° | 120.0° |
| C13 | C14 | H14 | 118.3° | 120.0° |
| C15 | C14 | H14 | 118.3° | 120.0° |
| C14 | C15 | C16 | 116.9° | 120.0° |
| C14 | C15 | H15 | 121.6° | 120.0° |
| C16 | C15 | H15 | 121.6° | 120.0° |
| C15 | C16 | C17 | 123.4° | 120.0° |
| C15 | C16 | H16 | 118.3° | 120.0° |
| C17 | C16 | H16 | 118.3° | 120.0° |
| C16 | C17 | H17 | 120.8° | 120.1° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | H1 | 180.0° | 179.6° |
| N1 | C1 | C2 | C3 | 0.4° | 0.4° |
| N1 | C1 | C2 | H2 | 179.7° | 179.7° |
| C1 | N1 | C5 | C4 | 1.1° | 0.7° |
| C1 | N1 | C5 | C6 | 177.1° | 179.7° |
| N1 | C5 | C6 | N2 | 174.7° | 0.3° |
| N1 | C5 | C6 | N3 | 3.9° | 179.7° |
| C5 | N1 | C1 | C2 | 1.4° | 0.7° |
| C5 | N1 | C1 | H1 | 178.5° | 179.7° |
| N1 | C5 | C4 | C3 | 0.3° | 0.4° |
| N1 | C5 | C4 | C6 | 178.0° | 179.6° |
| N1 | C5 | C4 | H4 | 179.7° | 179.7° |
| N2 | C6 | N3 | C5 | 178.5° | 179.9° |
| N2 | C6 | N3 | C8 | 0.3° | 0.0° |
| C6 | N2 | C7 | N4 | 170.9° | 180.0° |
| N2 | C6 | C5 | C4 | 3.4° | 180.0° |
| C6 | N2 | C7 | C9 | 2.1° | 0.3° |
| C7 | N2 | C6 | N3 | 2.0° | 0.0° |
| N2 | C7 | N4 | C9 | 171.8° | 179.6° |
| N2 | C7 | N4 | C10 | 36.0° | 0.1° |
| N2 | C7 | N4 | HN4 | 84.0° | 180.0° |
| C7 | N2 | C6 | C5 | 176.5° | 179.9° |
| N2 | C7 | C9 | C8 | 0.5° | 0.6° |
| N2 | C7 | C9 | CL1 | 179.4° | 180.0° |
| N3 | C6 | C5 | C4 | 178.0° | 0.0° |
| C6 | N3 | C8 | C9 | 1.4° | 0.3° |
| C6 | N3 | C8 | C18 | 179.3° | 180.0° |
| C8 | N3 | C6 | C5 | 178.2° | 180.0° |
| N3 | C8 | C9 | C7 | 1.3° | 0.6° |
| N3 | C8 | C9 | C18 | 179.3° | 179.7° |
| N3 | C8 | C9 | CL1 | 177.7° | 180.0° |
| N3 | C8 | C18 | H181 | 164.1° | 90.1° |
| N3 | C8 | C18 | H182 | 44.1° | 150.0° |
| N3 | C8 | C18 | H183 | 75.9° | 30.0° |
| C7 | N4 | C10 | HN4 | 120.0° | 179.9° |
| N4 | C7 | C9 | C8 | 169.8° | 179.7° |
| N4 | C7 | C9 | CL1 | 9.1° | 0.3° |
| C7 | N4 | C10 | C11 | 81.8° | 180.0° |
| C7 | N4 | C10 | H101 | 38.2° | 60.0° |
| C7 | N4 | C10 | H102 | 162.0° | 60.1° |
| C10 | N4 | C7 | C9 | 152.3° | 179.7° |
| N4 | C10 | C11 | H101 | 120.0° | 120.0° |
| N4 | C10 | C11 | H102 | 116.2° | 120.0° |
| N4 | C10 | H101 | H102 | 116.7° | 120.0° |
| N4 | C10 | C11 | C12 | 61.2° | 180.0° |
| N4 | C10 | C11 | H111 | 58.8° | 60.0° |
| N4 | C10 | C11 | H112 | 179.1° | 60.0° |
| HN4 | N4 | C7 | C9 | 87.7° | 0.4° |
| HN4 | N4 | C10 | C11 | 158.2° | 0.1° |
| HN4 | N4 | C10 | H101 | 81.8° | 119.9° |
| HN4 | N4 | C10 | H102 | 42.0° | 120.1° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.2° | 0.0° |
| C1 | C2 | C3 | H3 | 178.8° | 179.9° |
| H1 | C1 | C2 | C3 | 179.6° | 180.0° |
| H1 | C1 | C2 | H2 | 0.3° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.0° |
| C2 | C3 | C4 | H4 | 178.5° | 180.0° |
| H2 | C2 | C3 | C4 | 178.8° | 180.0° |
| H2 | C2 | C3 | H3 | 1.2° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 178.3° | 180.0° |
| H3 | C3 | C4 | C5 | 178.5° | 179.9° |
| H3 | C3 | C4 | H4 | 1.5° | 0.0° |
| H4 | C4 | C5 | C6 | 1.7° | 0.1° |
| C7 | C9 | C8 | CL1 | 178.9° | 179.4° |
| C7 | C9 | C8 | C18 | 179.5° | 179.7° |
| C9 | C8 | C18 | H181 | 15.1° | 90.3° |
| C9 | C8 | C18 | H182 | 135.1° | 29.7° |
| C9 | C8 | C18 | H183 | 104.9° | 149.7° |
| C18 | C8 | C9 | CL1 | 1.6° | 0.3° |
| C8 | C18 | H181 | H182 | 120.0° | 120.0° |
| C8 | C18 | H181 | H183 | 120.0° | 120.0° |
| C8 | C18 | H182 | H183 | 120.0° | 120.0° |
| C11 | C10 | H101 | H102 | 116.7° | 120.0° |
| C10 | C11 | C12 | H111 | 120.0° | 120.0° |
| C10 | C11 | C12 | H112 | 119.7° | 120.0° |
| C10 | C11 | H111 | H112 | 119.7° | 120.0° |
| C10 | C11 | C12 | C13 | 80.6° | 90.0° |
| C10 | C11 | C12 | C17 | 99.2° | 90.3° |
| H101 | C10 | C11 | C12 | 58.8° | 60.0° |
| H101 | C10 | C11 | H111 | 178.8° | 180.0° |
| H101 | C10 | C11 | H112 | 60.9° | 60.0° |
| H102 | C10 | C11 | C12 | 177.4° | 60.0° |
| H102 | C10 | C11 | H111 | 57.4° | 60.0° |
| H102 | C10 | C11 | H112 | 62.9° | 180.0° |
| C12 | C11 | H111 | H112 | 119.8° | 120.0° |
| C11 | C12 | C13 | C17 | 179.9° | 179.7° |
| C11 | C12 | C13 | C14 | 179.9° | 180.0° |
| C11 | C12 | C13 | H13 | 0.1° | 0.0° |
| C11 | C12 | C17 | C16 | 179.8° | 179.8° |
| C11 | C12 | C17 | H17 | 0.2° | 0.3° |
| H111 | C11 | C12 | C13 | 159.4° | 30.0° |
| H111 | C11 | C12 | C17 | 20.8° | 149.7° |
| H112 | C11 | C12 | C13 | 39.1° | 150.0° |
| H112 | C11 | C12 | C17 | 141.1° | 29.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C13 | C12 | C17 | C16 | 0.0° | 0.5° |
| C13 | C12 | C17 | H17 | 179.9° | 180.0° |
| C17 | C12 | C13 | C14 | 0.1° | 0.2° |
| C17 | C12 | C13 | H13 | 179.9° | 179.7° |
| C12 | C17 | C16 | C15 | 0.1° | 0.4° |
| C12 | C17 | C16 | H17 | 180.0° | 179.5° |
| C12 | C17 | C16 | H16 | 179.9° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H15 | 179.9° | 179.9° |
| H13 | C13 | C14 | C15 | 179.9° | 180.0° |
| H13 | C13 | C14 | H14 | 0.2° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.2° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| H14 | C14 | C15 | C16 | 179.9° | 180.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| H15 | C15 | C16 | C17 | 180.0° | 179.8° |
| H15 | C15 | C16 | H16 | 0.0° | 0.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.2° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
