6HP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| O5 | C4 | sing | 1.43Å | 1.43Å | |
| O5 | C6 | sing | 1.35Å | 1.37Å | |
| C7 | C6 | doub | 1.36Å | 1.36Å | |
| C7 | C8 | sing | 1.41Å | 1.43Å | |
| C6 | N14 | sing | 1.37Å | 1.42Å | |
| O9 | C8 | doub | 1.22Å | 1.23Å | |
| C8 | N10 | sing | 1.35Å | 1.40Å | |
| N14 | C15 | sing | 1.46Å | 1.47Å | |
| N14 | C12 | sing | 1.35Å | 1.38Å | |
| N10 | C12 | sing | 1.35Å | 1.40Å | |
| N10 | C11 | sing | 1.46Å | 1.47Å | |
| C12 | O13 | doub | 1.22Å | 1.22Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.08Å | 1.08Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 111.1° | 109.5° |
| C3 | C2 | C4 | 111.2° | 109.5° |
| C3 | C2 | H19 | 107.9° | 109.4° |
| C2 | C3 | H22 | 109.5° | 109.5° |
| C2 | C3 | H21 | 109.5° | 109.5° |
| C2 | C3 | H20 | 109.5° | 109.4° |
| C1 | C2 | C4 | 110.7° | 109.5° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C1 | C2 | H19 | 107.9° | 109.5° |
| C2 | C4 | O5 | 109.2° | 109.4° |
| C4 | C2 | H19 | 107.9° | 109.5° |
| C2 | C4 | H23 | 109.5° | 109.5° |
| C2 | C4 | H24 | 109.5° | 109.4° |
| C4 | O5 | C6 | 116.2° | 117.0° |
| O5 | C4 | H23 | 109.6° | 109.5° |
| O5 | C4 | H24 | 109.6° | 109.4° |
| O5 | C6 | C7 | 104.1° | 120.3° |
| O5 | C6 | N14 | 136.1° | 120.2° |
| C6 | C7 | C8 | 122.0° | 119.1° |
| C7 | C6 | N14 | 119.8° | 119.5° |
| C6 | C7 | H25 | 119.0° | 120.5° |
| C7 | C8 | O9 | 124.5° | 120.2° |
| C7 | C8 | N10 | 115.4° | 119.6° |
| C8 | C7 | H25 | 119.0° | 120.4° |
| C6 | N14 | C15 | 121.2° | 119.8° |
| C6 | N14 | C12 | 121.5° | 120.4° |
| O9 | C8 | N10 | 120.1° | 120.2° |
| C8 | N10 | C12 | 124.8° | 120.5° |
| C8 | N10 | C11 | 117.2° | 119.8° |
| C15 | N14 | C12 | 117.3° | 119.8° |
| N14 | C15 | H31 | 109.5° | 109.5° |
| N14 | C15 | H30 | 109.5° | 109.5° |
| N14 | C15 | H29 | 109.4° | 109.4° |
| N14 | C12 | N10 | 116.6° | 121.0° |
| N14 | C12 | O13 | 121.9° | 119.5° |
| C12 | N10 | C11 | 118.0° | 119.7° |
| N10 | C12 | O13 | 121.6° | 119.5° |
| N10 | C11 | H27 | 109.5° | 109.5° |
| N10 | C11 | H28 | 109.5° | 109.5° |
| N10 | C11 | H26 | 109.5° | 109.5° |
| H18 | C1 | H17 | 109.5° | 109.5° |
| H18 | C1 | H16 | 109.4° | 109.5° |
| H17 | C1 | H16 | 109.4° | 109.4° |
| H22 | C3 | H21 | 109.4° | 109.5° |
| H22 | C3 | H20 | 109.5° | 109.4° |
| H21 | C3 | H20 | 109.5° | 109.5° |
| H27 | C11 | H28 | 109.4° | 109.5° |
| H27 | C11 | H26 | 109.4° | 109.5° |
| H28 | C11 | H26 | 109.4° | 109.5° |
| H31 | C15 | H30 | 109.5° | 109.5° |
| H31 | C15 | H29 | 109.5° | 109.4° |
| H30 | C15 | H29 | 109.5° | 109.5° |
| H23 | C4 | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | C4 | 124.1° | 120.0° |
| C3 | C2 | C1 | H19 | 118.0° | 120.0° |
| C3 | C2 | C4 | H19 | 118.1° | 119.9° |
| C3 | C2 | C4 | O5 | 86.6° | 175.0° |
| C3 | C2 | C1 | H18 | 180.0° | 60.0° |
| C3 | C2 | C1 | H17 | 60.0° | 60.0° |
| C3 | C2 | C1 | H16 | 60.0° | 180.0° |
| C2 | C3 | H22 | H21 | 120.0° | 120.1° |
| C2 | C3 | H22 | H20 | 120.0° | 119.9° |
| C2 | C3 | H21 | H20 | 120.0° | 120.0° |
| C3 | C2 | C4 | H23 | 33.3° | 55.0° |
| C3 | C2 | C4 | H24 | 153.4° | 65.1° |
| C1 | C2 | C4 | H19 | 117.9° | 120.0° |
| C1 | C2 | C4 | O5 | 149.3° | 64.9° |
| C2 | C1 | H18 | H17 | 120.0° | 120.0° |
| C2 | C1 | H18 | H16 | 120.0° | 120.0° |
| C2 | C1 | H17 | H16 | 120.0° | 120.0° |
| C1 | C2 | C3 | H22 | 180.0° | 60.0° |
| C1 | C2 | C3 | H21 | 60.0° | 180.0° |
| C1 | C2 | C3 | H20 | 60.0° | 59.9° |
| C1 | C2 | C4 | H23 | 90.7° | 175.0° |
| C1 | C2 | C4 | H24 | 29.4° | 55.0° |
| C2 | C4 | O5 | H23 | 120.0° | 120.0° |
| C2 | C4 | O5 | H24 | 119.9° | 119.9° |
| C2 | C4 | O5 | C6 | 152.9° | 175.1° |
| C4 | C2 | C1 | H18 | 56.0° | 60.0° |
| C4 | C2 | C1 | H17 | 64.1° | 180.0° |
| C4 | C2 | C1 | H16 | 175.9° | 60.0° |
| C4 | C2 | C3 | H22 | 56.2° | 60.1° |
| C4 | C2 | C3 | H21 | 176.2° | 60.0° |
| C4 | C2 | C3 | H20 | 63.8° | 180.0° |
| C2 | C4 | H23 | H24 | 120.1° | 120.0° |
| C4 | O5 | C6 | C7 | 147.9° | 5.3° |
| C4 | O5 | C6 | N14 | 31.9° | 175.0° |
| O5 | C4 | C2 | H19 | 31.5° | 55.1° |
| O5 | C4 | H23 | H24 | 120.2° | 120.0° |
| O5 | C6 | C7 | N14 | 179.9° | 179.7° |
| O5 | C6 | C7 | C8 | 180.0° | 179.7° |
| O5 | C6 | N14 | C15 | 0.1° | 0.3° |
| O5 | C6 | N14 | C12 | 179.9° | 179.7° |
| O5 | C6 | C7 | H25 | 0.0° | 0.3° |
| C6 | O5 | C4 | H23 | 87.1° | 64.9° |
| C6 | O5 | C4 | H24 | 33.0° | 55.1° |
| C6 | C7 | C8 | H25 | 180.0° | 180.0° |
| C6 | C7 | C8 | O9 | 180.0° | 179.9° |
| C6 | C7 | C8 | N10 | 0.1° | 0.0° |
| C7 | C6 | N14 | C15 | 179.9° | 180.0° |
| C7 | C6 | N14 | C12 | 0.1° | 0.0° |
| C8 | C7 | C6 | N14 | 0.1° | 0.0° |
| C7 | C8 | O9 | N10 | 180.0° | 180.0° |
| C7 | C8 | N10 | C12 | 0.1° | 0.0° |
| C7 | C8 | N10 | C11 | 180.0° | 180.0° |
| C6 | N14 | C15 | C12 | 180.0° | 180.0° |
| C6 | N14 | C12 | N10 | 0.1° | 0.0° |
| C6 | N14 | C12 | O13 | 180.0° | 180.0° |
| N14 | C6 | C7 | H25 | 179.9° | 180.0° |
| C6 | N14 | C15 | H31 | 180.0° | 95.0° |
| C6 | N14 | C15 | H30 | 60.0° | 145.0° |
| C6 | N14 | C15 | H29 | 60.0° | 25.0° |
| O9 | C8 | N10 | C12 | 179.9° | 180.0° |
| O9 | C8 | N10 | C11 | 0.0° | 0.0° |
| O9 | C8 | C7 | H25 | 0.1° | 0.0° |
| C8 | N10 | C12 | N14 | 0.1° | 0.0° |
| C8 | N10 | C12 | C11 | 179.9° | 180.0° |
| C8 | N10 | C12 | O13 | 180.0° | 180.0° |
| N10 | C8 | C7 | H25 | 179.9° | 180.0° |
| C8 | N10 | C11 | H27 | 180.0° | 0.0° |
| C8 | N10 | C11 | H28 | 60.0° | 120.0° |
| C8 | N10 | C11 | H26 | 60.0° | 120.0° |
| C15 | N14 | C12 | N10 | 179.9° | 180.0° |
| C15 | N14 | C12 | O13 | 0.0° | 0.0° |
| N14 | C15 | H31 | H30 | 120.0° | 120.1° |
| N14 | C15 | H31 | H29 | 120.0° | 119.9° |
| N14 | C15 | H30 | H29 | 120.0° | 120.0° |
| N14 | C12 | N10 | O13 | 179.9° | 180.0° |
| N14 | C12 | N10 | C11 | 180.0° | 180.0° |
| C12 | N14 | C15 | H31 | 0.0° | 85.0° |
| C12 | N14 | C15 | H30 | 120.0° | 35.0° |
| C12 | N14 | C15 | H29 | 120.0° | 155.0° |
| C12 | N10 | C11 | H27 | 0.1° | 180.0° |
| C12 | N10 | C11 | H28 | 120.1° | 60.0° |
| C12 | N10 | C11 | H26 | 119.9° | 60.0° |
| C11 | N10 | C12 | O13 | 0.1° | 0.0° |
| N10 | C11 | H27 | H28 | 120.0° | 120.0° |
| N10 | C11 | H27 | H26 | 120.0° | 120.0° |
| N10 | C11 | H28 | H26 | 120.0° | 120.0° |
| H18 | C1 | H17 | H16 | 120.0° | 120.0° |
| H18 | C1 | C2 | H19 | 61.9° | 180.0° |
| H17 | C1 | C2 | H19 | 178.0° | 60.0° |
| H16 | C1 | C2 | H19 | 58.0° | 60.0° |
| H19 | C2 | C3 | H22 | 61.9° | 180.0° |
| H19 | C2 | C3 | H21 | 58.0° | 60.0° |
| H19 | C2 | C3 | H20 | 178.0° | 60.1° |
| H19 | C2 | C4 | H23 | 151.4° | 65.0° |
| H19 | C2 | C4 | H24 | 88.5° | 175.0° |
| H22 | C3 | H21 | H20 | 120.0° | 119.9° |
| H27 | C11 | H28 | H26 | 119.9° | 120.0° |
| H31 | C15 | H30 | H29 | 120.0° | 120.0° |
