HMM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | N07 | sing | 1.47Å | 1.45Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C31 | H313 | sing | 1.09Å | 1.11Å | |
| N07 | C08 | sing | 1.35Å | 1.40Å | Aromatic |
| N07 | C12 | sing | 1.35Å | 1.39Å | Aromatic |
| C08 | O09 | doub | 1.22Å | 1.24Å | |
| C08 | N10 | sing | 1.33Å | 1.39Å | Aromatic |
| N10 | N11 | sing | 1.42Å | 1.39Å | Aromatic |
| N10 | C14 | sing | 1.47Å | 1.45Å | |
| N11 | C12 | sing | 1.33Å | 1.39Å | Aromatic |
| N11 | C17 | sing | 1.47Å | 1.46Å | |
| C12 | O13 | doub | 1.22Å | 1.23Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | doub | 1.31Å | 1.35Å | |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | H161 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C18 | O19 | sing | 1.43Å | 1.46Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| O19 | HO19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N07 | C31 | H311 | 126.1° | 109.5° |
| N07 | C31 | H312 | 106.3° | 109.5° |
| N07 | C31 | H313 | 106.3° | 109.4° |
| C31 | N07 | C08 | 126.2° | 125.4° |
| C31 | N07 | C12 | 124.3° | 125.4° |
| H311 | C31 | H312 | 106.3° | 109.5° |
| H311 | C31 | H313 | 106.4° | 109.5° |
| H312 | C31 | H313 | 103.2° | 109.5° |
| C08 | N07 | C12 | 109.4° | 109.3° |
| N07 | C08 | O09 | 127.5° | 125.9° |
| N07 | C08 | N10 | 107.3° | 108.2° |
| N07 | C12 | N11 | 106.3° | 108.1° |
| N07 | C12 | O13 | 125.8° | 125.9° |
| O09 | C08 | N10 | 125.2° | 125.9° |
| C08 | N10 | N11 | 107.4° | 107.2° |
| C08 | N10 | C14 | 126.4° | 131.9° |
| N11 | N10 | C14 | 122.7° | 121.0° |
| N10 | N11 | C12 | 109.6° | 107.3° |
| N10 | N11 | C17 | 120.9° | 120.9° |
| N10 | C14 | C15 | 112.6° | 107.5° |
| N10 | C14 | H141 | 111.1° | 109.9° |
| N10 | C14 | H142 | 111.1° | 109.8° |
| C12 | N11 | C17 | 128.5° | 131.8° |
| N11 | C12 | O13 | 127.8° | 126.0° |
| N11 | C17 | C16 | 111.1° | 107.5° |
| N11 | C17 | C18 | 107.1° | 109.9° |
| N11 | C17 | H171 | 111.4° | 109.9° |
| C15 | C14 | H141 | 111.0° | 109.9° |
| C15 | C14 | H142 | 111.0° | 109.8° |
| C14 | C15 | C16 | 120.0° | 122.4° |
| C14 | C15 | H151 | 125.5° | 118.8° |
| H141 | C14 | H142 | 99.3° | 109.9° |
| C16 | C15 | H151 | 114.5° | 118.8° |
| C15 | C16 | C17 | 126.2° | 122.3° |
| C15 | C16 | H161 | 110.8° | 118.8° |
| C17 | C16 | H161 | 123.0° | 118.8° |
| C16 | C17 | C18 | 113.2° | 109.8° |
| C16 | C17 | H171 | 105.0° | 109.8° |
| C18 | C17 | H171 | 109.2° | 109.8° |
| C17 | C18 | O19 | 122.9° | 109.5° |
| C17 | C18 | H181 | 107.5° | 109.4° |
| C17 | C18 | H182 | 107.5° | 109.5° |
| O19 | C18 | H181 | 107.4° | 109.5° |
| O19 | C18 | H182 | 107.4° | 109.5° |
| C18 | O19 | HO19 | 122.9° | 106.8° |
| H181 | C18 | H182 | 102.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N07 | C31 | H311 | H312 | 125.1° | 120.0° |
| N07 | C31 | H311 | H313 | 125.3° | 120.0° |
| N07 | C31 | H312 | H313 | 111.7° | 119.9° |
| C31 | N07 | C08 | C12 | 176.4° | 179.6° |
| C31 | N07 | C08 | O09 | 3.3° | 0.1° |
| C31 | N07 | C08 | N10 | 175.9° | 179.9° |
| C31 | N07 | C12 | N11 | 175.0° | 179.9° |
| C31 | N07 | C12 | O13 | 2.3° | 0.1° |
| H311 | C31 | H312 | H313 | 111.8° | 120.0° |
| H311 | C31 | N07 | C08 | 179.9° | 119.9° |
| H311 | C31 | N07 | C12 | 4.0° | 59.6° |
| H312 | C31 | N07 | C08 | 54.8° | 0.1° |
| H312 | C31 | N07 | C12 | 121.2° | 179.7° |
| H313 | C31 | N07 | C08 | 54.8° | 120.1° |
| H313 | C31 | N07 | C12 | 129.3° | 60.4° |
| N07 | C08 | O09 | N10 | 179.0° | 180.0° |
| N07 | C08 | N10 | N11 | 0.6° | 0.0° |
| N07 | C08 | N10 | C14 | 158.4° | 180.0° |
| C08 | N07 | C12 | N11 | 1.5° | 0.5° |
| C08 | N07 | C12 | O13 | 178.8° | 179.7° |
| C12 | N07 | C08 | O09 | 179.7° | 179.7° |
| C12 | N07 | C08 | N10 | 0.6° | 0.3° |
| N07 | C12 | N11 | N10 | 1.9° | 0.4° |
| N07 | C12 | N11 | O13 | 177.2° | 179.9° |
| N07 | C12 | N11 | C17 | 166.2° | 179.9° |
| O09 | C08 | N10 | N11 | 178.6° | 180.0° |
| O09 | C08 | N10 | C14 | 22.5° | 0.0° |
| C08 | N10 | N11 | C14 | 159.9° | 180.0° |
| C08 | N10 | N11 | C12 | 1.5° | 0.3° |
| C08 | N10 | N11 | C17 | 167.6° | 180.0° |
| C08 | N10 | C14 | C15 | 178.2° | 147.5° |
| C08 | N10 | C14 | H141 | 56.5° | 27.9° |
| C08 | N10 | C14 | H142 | 53.0° | 93.1° |
| N10 | N11 | C12 | C17 | 168.1° | 179.7° |
| N10 | N11 | C12 | O13 | 179.1° | 179.7° |
| N11 | N10 | C14 | C15 | 25.8° | 32.5° |
| N11 | N10 | C14 | H141 | 99.4° | 152.1° |
| N11 | N10 | C14 | H142 | 151.0° | 86.9° |
| N10 | N11 | C17 | C16 | 19.5° | 32.6° |
| N10 | N11 | C17 | C18 | 104.5° | 87.0° |
| N10 | N11 | C17 | H171 | 136.2° | 152.1° |
| C14 | N10 | N11 | C12 | 158.4° | 179.8° |
| C14 | N10 | N11 | C17 | 32.5° | 0.0° |
| N10 | C14 | C15 | H141 | 125.3° | 119.6° |
| N10 | C14 | C15 | H142 | 125.3° | 119.4° |
| N10 | C14 | H141 | H142 | 117.0° | 120.9° |
| N10 | C14 | C15 | C16 | 9.9° | 33.1° |
| N10 | C14 | C15 | H151 | 170.0° | 146.9° |
| C12 | N11 | C17 | C16 | 173.6° | 147.8° |
| C12 | N11 | C17 | C18 | 62.4° | 92.7° |
| C12 | N11 | C17 | H171 | 56.9° | 28.3° |
| C17 | N11 | C12 | O13 | 11.0° | 0.0° |
| N11 | C17 | C16 | C15 | 4.6° | 33.1° |
| N11 | C17 | C16 | C18 | 120.5° | 119.6° |
| N11 | C17 | C16 | H171 | 120.5° | 119.5° |
| N11 | C17 | C16 | H161 | 175.5° | 146.9° |
| N11 | C17 | C18 | H171 | 120.7° | 121.0° |
| N11 | C17 | C18 | O19 | 77.7° | 178.1° |
| N11 | C17 | C18 | H181 | 47.6° | 58.1° |
| N11 | C17 | C18 | H182 | 157.1° | 61.9° |
| C15 | C14 | H141 | H142 | 116.9° | 121.0° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.6° | 0.0° |
| C14 | C15 | C16 | H161 | 179.4° | 179.9° |
| H141 | C14 | C15 | C16 | 115.3° | 152.6° |
| H141 | C14 | C15 | H151 | 64.7° | 27.3° |
| H142 | C14 | C15 | C16 | 135.2° | 86.4° |
| H142 | C14 | C15 | H151 | 44.8° | 93.7° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 116.0° | 86.5° |
| C15 | C16 | C17 | H171 | 125.1° | 152.6° |
| H151 | C15 | C16 | C17 | 179.4° | 180.0° |
| H151 | C15 | C16 | H161 | 0.6° | 0.0° |
| C16 | C17 | C18 | H171 | 116.5° | 120.9° |
| C16 | C17 | C18 | O19 | 45.1° | 60.0° |
| C16 | C17 | C18 | H181 | 170.4° | 60.0° |
| C16 | C17 | C18 | H182 | 80.1° | 180.0° |
| H161 | C16 | C17 | C18 | 64.0° | 93.6° |
| H161 | C16 | C17 | H171 | 55.0° | 27.3° |
| C17 | C18 | O19 | H181 | 125.3° | 120.0° |
| C17 | C18 | O19 | H182 | 125.3° | 120.0° |
| C17 | C18 | H181 | H182 | 113.0° | 120.0° |
| C17 | C18 | O19 | HO19 | 180.0° | 180.0° |
| H171 | C17 | C18 | O19 | 161.7° | 60.9° |
| H171 | C17 | C18 | H181 | 73.1° | 179.1° |
| H171 | C17 | C18 | H182 | 36.4° | 59.1° |
| O19 | C18 | H181 | H182 | 112.9° | 120.0° |
| H181 | C18 | O19 | HO19 | 54.7° | 60.0° |
| H182 | C18 | O19 | HO19 | 54.7° | 60.0° |
