H1C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O12 | sing | 1.45Å | 1.39Å | |
| O12 | C11 | sing | 1.35Å | 1.41Å | |
| O13 | C11 | doub | 1.22Å | 1.18Å | |
| C11 | N10 | sing | 1.35Å | 1.44Å | |
| N10 | C08 | sing | 1.38Å | 1.45Å | |
| C08 | N09 | doub | 1.31Å | 1.33Å | Aromatic |
| C08 | N07 | sing | 1.36Å | 1.33Å | Aromatic |
| N09 | C04 | sing | 1.36Å | 1.37Å | Aromatic |
| N07 | C03 | sing | 1.38Å | 1.36Å | Aromatic |
| C04 | C03 | doub | 1.41Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.43Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.43Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.41Å | Aromatic |
| C06 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| N07 | H16 | sing | 0.97Å | 1.00Å | |
| N10 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | O12 | C11 | 116.7° | 117.0° |
| O12 | C14 | H4 | 109.5° | 109.5° |
| O12 | C14 | H5 | 109.4° | 109.4° |
| O12 | C14 | H6 | 109.5° | 109.5° |
| O12 | C11 | O13 | 123.0° | 119.9° |
| O12 | C11 | N10 | 116.5° | 120.0° |
| O13 | C11 | N10 | 120.4° | 120.1° |
| C11 | N10 | C08 | 124.2° | 120.0° |
| C11 | N10 | H18 | 118.0° | 120.1° |
| N10 | C08 | N09 | 126.7° | 125.0° |
| N10 | C08 | N07 | 122.5° | 125.1° |
| C08 | N10 | H18 | 117.9° | 120.0° |
| N09 | C08 | N07 | 110.8° | 109.9° |
| C08 | N09 | C04 | 107.7° | 109.6° |
| C08 | N07 | C03 | 107.5° | 107.3° |
| C08 | N07 | H16 | 126.2° | 126.4° |
| N09 | C04 | C03 | 106.6° | 107.1° |
| N09 | C04 | C05 | 133.4° | 133.4° |
| N07 | C03 | C04 | 107.4° | 106.1° |
| N07 | C03 | C02 | 131.5° | 134.0° |
| C03 | N07 | H16 | 126.3° | 126.3° |
| C03 | C04 | C05 | 120.0° | 119.5° |
| C04 | C03 | C02 | 121.2° | 119.9° |
| C04 | C05 | C06 | 118.5° | 119.8° |
| C04 | C05 | H3 | 120.7° | 120.1° |
| C03 | C02 | C01 | 118.3° | 119.8° |
| C03 | C02 | H2 | 120.9° | 120.1° |
| C05 | C06 | C01 | 121.0° | 120.5° |
| C05 | C06 | C15 | 120.2° | 119.7° |
| C06 | C05 | H3 | 120.8° | 120.1° |
| C02 | C01 | C06 | 120.9° | 120.4° |
| C02 | C01 | H1 | 119.5° | 119.7° |
| C01 | C02 | H2 | 120.8° | 120.1° |
| C01 | C06 | C15 | 118.8° | 119.7° |
| C06 | C01 | H1 | 119.5° | 119.9° |
| C06 | C15 | C16 | 112.1° | 109.5° |
| C06 | C15 | H7 | 108.8° | 109.5° |
| C06 | C15 | H8 | 108.8° | 109.5° |
| C15 | C16 | C17 | 110.5° | 109.5° |
| C16 | C15 | H7 | 108.8° | 109.5° |
| C16 | C15 | H8 | 108.8° | 109.5° |
| C15 | C16 | H9 | 109.2° | 109.5° |
| C15 | C16 | H10 | 109.2° | 109.5° |
| C16 | C17 | C18 | 113.2° | 109.5° |
| C17 | C16 | H9 | 109.2° | 109.5° |
| C17 | C16 | H10 | 109.2° | 109.5° |
| C16 | C17 | H11 | 108.5° | 109.5° |
| C16 | C17 | H12 | 108.5° | 109.5° |
| C18 | C17 | H11 | 108.5° | 109.5° |
| C18 | C17 | H12 | 108.5° | 109.5° |
| C17 | C18 | H13 | 109.5° | 109.4° |
| C17 | C18 | H14 | 109.4° | 109.5° |
| C17 | C18 | H15 | 109.5° | 109.5° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H4 | C14 | H6 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.4° | 109.4° |
| H13 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | O12 | C11 | O13 | 9.8° | 0.0° |
| C14 | O12 | C11 | N10 | 170.3° | 180.0° |
| O12 | C14 | H4 | H5 | 120.0° | 120.0° |
| O12 | C14 | H4 | H6 | 120.0° | 120.0° |
| O12 | C14 | H5 | H6 | 120.0° | 120.0° |
| O12 | C11 | O13 | N10 | 179.9° | 180.0° |
| O12 | C11 | N10 | C08 | 179.8° | 180.0° |
| C11 | O12 | C14 | H4 | 180.0° | 179.9° |
| C11 | O12 | C14 | H5 | 60.0° | 60.0° |
| C11 | O12 | C14 | H6 | 60.0° | 60.0° |
| O12 | C11 | N10 | H18 | 0.2° | 0.0° |
| O13 | C11 | N10 | C08 | 0.1° | 0.0° |
| O13 | C11 | N10 | H18 | 179.9° | 180.0° |
| C11 | N10 | C08 | H18 | 180.0° | 179.9° |
| C11 | N10 | C08 | N09 | 4.6° | 180.0° |
| C11 | N10 | C08 | N07 | 175.4° | 0.1° |
| N10 | C08 | N09 | N07 | 180.0° | 180.0° |
| N10 | C08 | N09 | C04 | 180.0° | 180.0° |
| N10 | C08 | N07 | C03 | 179.8° | 180.0° |
| N10 | C08 | N07 | H16 | 0.2° | 0.1° |
| N09 | C08 | N07 | C03 | 0.2° | 0.0° |
| C08 | N09 | C04 | C03 | 0.2° | 0.0° |
| C08 | N09 | C04 | C05 | 179.9° | 179.9° |
| N09 | C08 | N07 | H16 | 179.8° | 179.9° |
| N09 | C08 | N10 | H18 | 175.4° | 0.0° |
| N07 | C08 | N09 | C04 | 0.0° | 0.0° |
| C08 | N07 | C03 | H16 | 180.0° | 179.9° |
| C08 | N07 | C03 | C04 | 0.3° | 0.0° |
| C08 | N07 | C03 | C02 | 180.0° | 180.0° |
| N07 | C08 | N10 | H18 | 4.6° | 180.0° |
| N09 | C04 | C03 | N07 | 0.3° | 0.0° |
| N09 | C04 | C03 | C05 | 179.8° | 179.9° |
| N09 | C04 | C03 | C02 | 179.9° | 180.0° |
| N09 | C04 | C05 | C06 | 179.9° | 179.7° |
| N09 | C04 | C05 | H3 | 0.2° | 0.1° |
| N07 | C03 | C04 | C02 | 179.8° | 180.0° |
| N07 | C03 | C04 | C05 | 179.9° | 180.0° |
| N07 | C03 | C02 | C01 | 180.0° | 180.0° |
| N07 | C03 | C02 | H2 | 0.0° | 0.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.4° |
| C04 | C03 | C02 | C01 | 0.3° | 0.0° |
| C04 | C03 | C02 | H2 | 179.7° | 180.0° |
| C03 | C04 | C05 | H3 | 179.9° | 180.0° |
| C04 | C03 | N07 | H16 | 179.7° | 180.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C04 | C05 | C06 | H3 | 180.0° | 179.6° |
| C04 | C05 | C06 | C01 | 0.3° | 0.7° |
| C04 | C05 | C06 | C15 | 179.7° | 180.0° |
| C03 | C02 | C01 | H2 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.4° | 0.3° |
| C03 | C02 | C01 | H1 | 179.6° | 180.0° |
| C02 | C03 | N07 | H16 | 0.1° | 0.1° |
| C05 | C06 | C01 | C02 | 0.4° | 0.6° |
| C05 | C06 | C01 | C15 | 180.0° | 179.3° |
| C05 | C06 | C15 | C16 | 135.5° | 90.0° |
| C05 | C06 | C01 | H1 | 179.6° | 179.7° |
| C05 | C06 | C15 | H7 | 15.1° | 150.0° |
| C05 | C06 | C15 | H8 | 104.1° | 30.0° |
| C02 | C01 | C06 | H1 | 180.0° | 179.7° |
| C02 | C01 | C06 | C15 | 179.5° | 179.9° |
| C01 | C06 | C15 | C16 | 44.5° | 90.6° |
| C06 | C01 | C02 | H2 | 179.6° | 179.7° |
| C01 | C06 | C05 | H3 | 179.7° | 179.7° |
| C01 | C06 | C15 | H7 | 164.8° | 29.3° |
| C01 | C06 | C15 | H8 | 75.9° | 149.4° |
| C06 | C15 | C16 | H7 | 120.4° | 120.0° |
| C06 | C15 | C16 | H8 | 120.4° | 120.0° |
| C06 | C15 | C16 | C17 | 169.2° | 180.0° |
| C15 | C06 | C01 | H1 | 0.5° | 0.4° |
| C15 | C06 | C05 | H3 | 0.3° | 0.4° |
| C06 | C15 | H7 | H8 | 118.8° | 120.0° |
| C06 | C15 | C16 | H9 | 49.1° | 60.0° |
| C06 | C15 | C16 | H10 | 70.6° | 60.0° |
| C15 | C16 | C17 | H9 | 120.1° | 120.0° |
| C15 | C16 | C17 | H10 | 120.1° | 120.0° |
| C15 | C16 | C17 | C18 | 159.7° | 180.0° |
| C16 | C15 | H7 | H8 | 118.8° | 120.0° |
| C15 | C16 | H9 | H10 | 119.5° | 120.0° |
| C15 | C16 | C17 | H11 | 39.1° | 60.0° |
| C15 | C16 | C17 | H12 | 79.8° | 60.0° |
| C16 | C17 | C18 | H11 | 120.6° | 120.0° |
| C16 | C17 | C18 | H12 | 120.5° | 120.0° |
| C17 | C16 | C15 | H7 | 70.4° | 60.0° |
| C17 | C16 | C15 | H8 | 48.8° | 60.0° |
| C17 | C16 | H9 | H10 | 119.5° | 120.0° |
| C16 | C17 | H11 | H12 | 118.3° | 120.0° |
| C16 | C17 | C18 | H13 | 180.0° | 60.0° |
| C16 | C17 | C18 | H14 | 60.0° | 180.0° |
| C16 | C17 | C18 | H15 | 60.0° | 60.0° |
| C18 | C17 | C16 | H9 | 80.2° | 60.0° |
| C18 | C17 | C16 | H10 | 39.5° | 60.0° |
| C18 | C17 | H11 | H12 | 118.3° | 120.0° |
| C17 | C18 | H13 | H14 | 120.0° | 119.9° |
| C17 | C18 | H13 | H15 | 120.0° | 120.0° |
| C17 | C18 | H14 | H15 | 120.0° | 120.0° |
| H1 | C01 | C02 | H2 | 0.4° | 0.0° |
| H4 | C14 | H5 | H6 | 120.0° | 120.0° |
| H7 | C15 | C16 | H9 | 169.4° | 180.0° |
| H7 | C15 | C16 | H10 | 49.7° | 60.0° |
| H8 | C15 | C16 | H9 | 71.4° | 60.0° |
| H8 | C15 | C16 | H10 | 168.9° | 180.0° |
| H9 | C16 | C17 | H11 | 159.3° | 180.0° |
| H9 | C16 | C17 | H12 | 40.3° | 60.0° |
| H10 | C16 | C17 | H11 | 81.0° | 60.0° |
| H10 | C16 | C17 | H12 | 160.1° | 180.0° |
| H11 | C17 | C18 | H13 | 59.5° | 60.0° |
| H11 | C17 | C18 | H14 | 179.4° | 59.9° |
| H11 | C17 | C18 | H15 | 60.5° | NaN° |
| H12 | C17 | C18 | H13 | 59.4° | 180.0° |
| H12 | C17 | C18 | H14 | 60.5° | 60.1° |
| H12 | C17 | C18 | H15 | 179.4° | 60.0° |
| H13 | C18 | H14 | H15 | 120.0° | 120.0° |
