5AM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C8 | sing | 1.51Å | 1.49Å | |
| C1 | O2 | sing | 1.45Å | 1.44Å | |
| C1 | H11A | sing | 1.09Å | 1.10Å | |
| C1 | H12A | sing | 1.09Å | 1.10Å | |
| C3 | O2 | sing | 1.35Å | 1.34Å | |
| C3 | N4 | sing | 1.35Å | 1.44Å | |
| C3 | O14 | doub | 1.21Å | 1.23Å | |
| C7 | N23 | sing | 1.34Å | 1.39Å | Aromatic |
| C7 | N20 | doub | 1.30Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.47Å | |
| C8 | C9 | sing | 1.38Å | 1.47Å | Aromatic |
| C8 | C13 | doub | 1.38Å | 1.46Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.45Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.46Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.38Å | 1.44Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.45Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | C5 | sing | 1.53Å | 1.56Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C22 | N23 | doub | 1.31Å | 1.38Å | Aromatic |
| C22 | O21 | sing | 1.34Å | 1.34Å | Aromatic |
| C22 | C25 | sing | 1.51Å | 1.47Å | |
| N26 | C27 | sing | 1.47Å | 1.53Å | |
| N26 | C31 | sing | 1.47Å | 1.53Å | |
| N26 | C25 | sing | 1.47Å | 1.49Å | |
| C27 | C28 | sing | 1.53Å | 1.57Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| N29 | C30 | sing | 1.47Å | 1.52Å | |
| N29 | C32 | sing | 1.35Å | 1.46Å | |
| N29 | C28 | sing | 1.47Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.57Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.51Å | 1.47Å | |
| C32 | O34 | doub | 1.21Å | 1.25Å | |
| C33 | C35 | sing | 1.53Å | 1.54Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| N4 | C5 | sing | 1.47Å | 1.46Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | N19 | sing | 1.47Å | 1.46Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N19 | H191 | sing | 1.01Å | 1.00Å | |
| N19 | H192 | sing | 1.01Å | 1.00Å | |
| N20 | O21 | sing | 1.21Å | 1.31Å | Aromatic |
| O24 | C6 | sing | 1.43Å | 1.45Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.48Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.38Å | 1.44Å | Aromatic |
| C37 | C39 | doub | 1.38Å | 1.44Å | Aromatic |
| C38 | C40 | doub | 1.38Å | 1.42Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | C41 | sing | 1.38Å | 1.43Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | C42 | sing | 1.38Å | 1.43Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | doub | 1.38Å | 1.43Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C1 | O2 | 110.8° | 109.5° |
| C8 | C1 | H11A | 108.7° | 109.4° |
| C8 | C1 | H12A | 109.0° | 109.5° |
| C1 | C8 | C9 | 120.5° | 120.0° |
| C1 | C8 | C13 | 120.9° | 120.0° |
| O2 | C1 | H11A | 108.7° | 109.4° |
| O2 | C1 | H12A | 109.0° | 109.5° |
| C1 | O2 | C3 | 132.6° | 120.0° |
| H11A | C1 | H12A | 110.5° | 109.5° |
| O2 | C3 | N4 | 114.9° | 120.0° |
| O2 | C3 | O14 | 125.5° | 120.0° |
| N4 | C3 | O14 | 119.5° | 120.0° |
| C3 | N4 | C5 | 124.8° | 120.0° |
| C3 | N4 | HN4 | 117.6° | 120.0° |
| N23 | C7 | N20 | 107.9° | 107.5° |
| N23 | C7 | C6 | 125.3° | 126.2° |
| C7 | N23 | C22 | 103.9° | 105.6° |
| N20 | C7 | C6 | 126.7° | 126.3° |
| C7 | N20 | O21 | 110.5° | 110.2° |
| C7 | C6 | C5 | 114.3° | 109.5° |
| C7 | C6 | O24 | 108.2° | 109.4° |
| C7 | C6 | H6 | 107.9° | 109.5° |
| C9 | C8 | C13 | 118.7° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| C8 | C13 | C12 | 120.6° | 120.0° |
| C8 | C13 | H13 | 119.7° | 120.0° |
| C10 | C9 | H9 | 119.8° | 120.0° |
| C9 | C10 | C11 | 119.9° | 120.0° |
| C9 | C10 | H10 | 120.1° | 120.0° |
| C11 | C10 | H10 | 120.1° | 120.0° |
| C10 | C11 | C12 | 120.3° | 120.0° |
| C10 | C11 | H11 | 119.8° | 120.0° |
| C12 | C11 | H11 | 119.9° | 120.0° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| C16 | C15 | C5 | 112.4° | 109.5° |
| C16 | C15 | H151 | 107.9° | 109.4° |
| C16 | C15 | H152 | 108.5° | 109.4° |
| C15 | C16 | C17 | 114.4° | 109.5° |
| C15 | C16 | H161 | 106.7° | 109.4° |
| C15 | C16 | H162 | 107.8° | 109.4° |
| C5 | C15 | H151 | 107.8° | 109.5° |
| C5 | C15 | H152 | 108.5° | 109.5° |
| C15 | C5 | N4 | 107.2° | 109.4° |
| C15 | C5 | C6 | 112.9° | 109.5° |
| C15 | C5 | H5 | 109.5° | 109.5° |
| H151 | C15 | H152 | 111.8° | 109.5° |
| C17 | C16 | H161 | 106.7° | 109.5° |
| C17 | C16 | H162 | 107.9° | 109.5° |
| C16 | C17 | C18 | 111.8° | 109.5° |
| C16 | C17 | H171 | 108.2° | 109.5° |
| C16 | C17 | H172 | 108.7° | 109.4° |
| H161 | C16 | H162 | 113.5° | 109.5° |
| N23 | C22 | O21 | 110.1° | 106.9° |
| N23 | C22 | C25 | 124.0° | 126.6° |
| O21 | C22 | C25 | 125.8° | 126.5° |
| C22 | O21 | N20 | 107.6° | 109.8° |
| C22 | C25 | N26 | 118.3° | 109.4° |
| C22 | C25 | H251 | 104.6° | 109.5° |
| C22 | C25 | H252 | 106.6° | 109.5° |
| C27 | N26 | C31 | 110.2° | 107.4° |
| C27 | N26 | C25 | 107.5° | 106.7° |
| N26 | C27 | C28 | 108.9° | 109.6° |
| N26 | C27 | H271 | 109.8° | 109.4° |
| N26 | C27 | H272 | 109.6° | 109.4° |
| C31 | N26 | C25 | 113.8° | 106.7° |
| N26 | C31 | C30 | 109.3° | 109.6° |
| N26 | C31 | H311 | 109.6° | 109.5° |
| N26 | C31 | H312 | 109.6° | 109.5° |
| N26 | C25 | H251 | 104.6° | 109.4° |
| N26 | C25 | H252 | 106.7° | 109.5° |
| C28 | C27 | H271 | 109.8° | 109.5° |
| C28 | C27 | H272 | 109.7° | 109.5° |
| C27 | C28 | N29 | 108.1° | 108.4° |
| C27 | C28 | H281 | 110.2° | 109.7° |
| C27 | C28 | H282 | 110.0° | 109.7° |
| H271 | C27 | H272 | 109.0° | 109.5° |
| C30 | N29 | C32 | 122.9° | 121.1° |
| C30 | N29 | C28 | 115.2° | 117.9° |
| N29 | C30 | C31 | 109.0° | 108.4° |
| N29 | C30 | H301 | 109.7° | 109.7° |
| N29 | C30 | H302 | 109.6° | 109.7° |
| C32 | N29 | C28 | 121.8° | 121.1° |
| N29 | C32 | C33 | 126.8° | 120.0° |
| N29 | C32 | O34 | 120.8° | 120.0° |
| N29 | C28 | H281 | 110.2° | 109.7° |
| N29 | C28 | H282 | 109.9° | 109.6° |
| C31 | C30 | H301 | 109.7° | 109.7° |
| C31 | C30 | H302 | 109.6° | 109.7° |
| C30 | C31 | H311 | 109.6° | 109.4° |
| C30 | C31 | H312 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.2° | 109.7° |
| H311 | C31 | H312 | 109.3° | 109.5° |
| C33 | C32 | O34 | 112.3° | 120.0° |
| C32 | C33 | C35 | 111.2° | 109.5° |
| C32 | C33 | H331 | 108.5° | 109.5° |
| C32 | C33 | H332 | 108.9° | 109.5° |
| C35 | C33 | H331 | 108.5° | 109.4° |
| C35 | C33 | H332 | 108.9° | 109.5° |
| C33 | C35 | C36 | 110.8° | 109.5° |
| C33 | C35 | H351 | 108.7° | 109.4° |
| C33 | C35 | H352 | 109.0° | 109.5° |
| H331 | C33 | H332 | 110.8° | 109.5° |
| C36 | C35 | H351 | 108.7° | 109.5° |
| C36 | C35 | H352 | 109.1° | 109.5° |
| C35 | C36 | C37 | 114.1° | 109.5° |
| C35 | C36 | H361 | 106.9° | 109.4° |
| C35 | C36 | H362 | 108.0° | 109.5° |
| H351 | C35 | H352 | 110.5° | 109.4° |
| C5 | N4 | HN4 | 117.6° | 120.0° |
| N4 | C5 | C6 | 111.8° | 109.5° |
| N4 | C5 | H5 | 110.7° | 109.5° |
| C6 | C5 | H5 | 104.7° | 109.5° |
| C5 | C6 | O24 | 111.8° | 109.4° |
| C5 | C6 | H6 | 103.9° | 109.5° |
| C18 | C17 | H171 | 108.2° | 109.5° |
| C18 | C17 | H172 | 108.7° | 109.5° |
| C17 | C18 | N19 | 109.7° | 109.5° |
| C17 | C18 | H181 | 109.4° | 109.5° |
| C17 | C18 | H182 | 109.4° | 109.5° |
| H171 | C17 | H172 | 111.3° | 109.5° |
| N19 | C18 | H181 | 109.3° | 109.5° |
| N19 | C18 | H182 | 109.4° | 109.5° |
| C18 | N19 | H191 | 109.5° | 106.7° |
| C18 | N19 | H192 | 109.5° | 106.7° |
| H181 | C18 | H182 | 109.7° | 109.4° |
| H191 | N19 | H192 | 109.4° | 106.8° |
| C6 | O24 | HO24 | 109.5° | 106.8° |
| O24 | C6 | H6 | 110.6° | 109.5° |
| H251 | C25 | H252 | 116.7° | 109.5° |
| H281 | C28 | H282 | 108.4° | 109.7° |
| C37 | C36 | H361 | 106.9° | 109.5° |
| C37 | C36 | H362 | 108.0° | 109.5° |
| C36 | C37 | C38 | 120.7° | 120.0° |
| C36 | C37 | C39 | 120.2° | 120.0° |
| H361 | C36 | H362 | 113.1° | 109.5° |
| C38 | C37 | C39 | 119.0° | 120.0° |
| C37 | C38 | C40 | 120.6° | 120.0° |
| C37 | C38 | H38 | 119.7° | 120.0° |
| C37 | C39 | C41 | 120.4° | 120.0° |
| C37 | C39 | H39 | 119.8° | 120.0° |
| C40 | C38 | H38 | 119.7° | 119.9° |
| C38 | C40 | C42 | 119.9° | 120.0° |
| C38 | C40 | H40 | 120.1° | 120.0° |
| C41 | C39 | H39 | 119.8° | 120.0° |
| C39 | C41 | C42 | 119.8° | 120.0° |
| C39 | C41 | H41 | 120.1° | 120.0° |
| C42 | C40 | H40 | 120.0° | 120.0° |
| C40 | C42 | C41 | 120.3° | 120.0° |
| C40 | C42 | H42 | 119.9° | 120.0° |
| C42 | C41 | H41 | 120.1° | 120.0° |
| C41 | C42 | H42 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C1 | O2 | H11A | 119.4° | 119.9° |
| C8 | C1 | O2 | H12A | 120.0° | 120.0° |
| C8 | C1 | H11A | H12A | 119.6° | 120.0° |
| C8 | C1 | O2 | C3 | 69.7° | 180.0° |
| C1 | C8 | C9 | C13 | 179.9° | 179.7° |
| C1 | C8 | C9 | C10 | 179.9° | 179.8° |
| C1 | C8 | C9 | H9 | 0.1° | 0.3° |
| C1 | C8 | C13 | C12 | 180.0° | 180.0° |
| C1 | C8 | C13 | H13 | 0.1° | 0.0° |
| O2 | C1 | H11A | H12A | 119.6° | 120.0° |
| C1 | O2 | C3 | N4 | 169.6° | 180.0° |
| C1 | O2 | C3 | O14 | 10.6° | 0.1° |
| O2 | C1 | C8 | C9 | 82.2° | 90.3° |
| O2 | C1 | C8 | C13 | 97.9° | 90.0° |
| H11A | C1 | O2 | C3 | 170.9° | 60.1° |
| H11A | C1 | C8 | C9 | 37.2° | 149.7° |
| H11A | C1 | C8 | C13 | 142.7° | 29.9° |
| H12A | C1 | O2 | C3 | 50.3° | 60.0° |
| H12A | C1 | C8 | C9 | 157.8° | 29.7° |
| H12A | C1 | C8 | C13 | 22.2° | 150.0° |
| O2 | C3 | N4 | O14 | 179.8° | 179.9° |
| O2 | C3 | N4 | C5 | 179.6° | 180.0° |
| O2 | C3 | N4 | HN4 | 0.4° | 0.1° |
| C3 | N4 | C5 | C15 | 139.1° | 85.1° |
| C3 | N4 | C5 | HN4 | 180.0° | 179.9° |
| C3 | N4 | C5 | C6 | 96.7° | 154.9° |
| C3 | N4 | C5 | H5 | 19.7° | 34.9° |
| O14 | C3 | N4 | C5 | 0.6° | 0.0° |
| O14 | C3 | N4 | HN4 | 179.4° | 180.0° |
| N23 | C7 | N20 | C6 | 179.4° | 179.7° |
| C7 | N23 | C22 | O21 | 0.2° | 0.3° |
| C7 | N23 | C22 | C25 | 178.9° | 179.9° |
| N23 | C7 | C6 | C5 | 71.7° | 105.3° |
| N23 | C7 | N20 | O21 | 0.2° | 0.2° |
| N23 | C7 | C6 | O24 | 163.0° | 134.7° |
| N23 | C7 | C6 | H6 | 43.3° | 14.7° |
| N20 | C7 | N23 | C22 | 0.3° | 0.4° |
| C7 | N20 | O21 | C22 | 0.0° | 0.0° |
| N20 | C7 | C6 | C5 | 107.6° | 75.0° |
| N20 | C7 | C6 | O24 | 17.6° | 44.9° |
| N20 | C7 | C6 | H6 | 137.3° | 165.0° |
| C7 | C6 | C5 | C15 | 175.8° | 65.0° |
| C6 | C7 | N23 | C22 | 179.2° | 179.9° |
| C7 | C6 | C5 | N4 | 54.9° | 175.1° |
| C7 | C6 | C5 | O24 | 123.3° | 119.9° |
| C7 | C6 | C5 | H6 | 117.4° | 120.0° |
| C7 | C6 | C5 | H5 | 65.1° | 55.0° |
| C6 | C7 | N20 | O21 | 179.2° | 180.0° |
| C7 | C6 | O24 | H6 | 118.0° | 120.0° |
| C7 | C6 | O24 | HO24 | 45.9° | 60.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.5° |
| C8 | C9 | C10 | C11 | 0.0° | 0.5° |
| C8 | C9 | C10 | H10 | 180.0° | 179.7° |
| C9 | C8 | C13 | C12 | 0.0° | 0.3° |
| C9 | C8 | C13 | H13 | 180.0° | 179.7° |
| C13 | C8 | C9 | C10 | 0.0° | 0.5° |
| C13 | C8 | C9 | H9 | 180.0° | 180.0° |
| C8 | C13 | C12 | C11 | 0.1° | 0.0° |
| C8 | C13 | C12 | H13 | 180.0° | 180.0° |
| C8 | C13 | C12 | H12 | 179.9° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 0.1° | 0.2° |
| C9 | C10 | C11 | H11 | 179.9° | 179.9° |
| H9 | C9 | C10 | C11 | 180.0° | 180.0° |
| H9 | C9 | C10 | H10 | 0.0° | 0.2° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| H10 | C10 | C11 | C12 | 179.9° | 180.0° |
| H10 | C10 | C11 | H11 | 0.1° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| H11 | C11 | C12 | C13 | 179.9° | 179.9° |
| H11 | C11 | C12 | H12 | 0.1° | 0.1° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| C16 | C15 | C5 | H151 | 118.7° | 120.0° |
| C16 | C15 | C5 | H152 | 120.0° | 120.0° |
| C16 | C15 | H151 | H152 | 119.2° | 119.9° |
| C15 | C16 | C17 | H161 | 117.8° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 118.6° | 119.9° |
| C16 | C15 | C5 | N4 | 76.4° | 65.0° |
| C16 | C15 | C5 | C6 | 160.0° | 175.0° |
| C16 | C15 | C5 | H5 | 43.8° | 55.0° |
| C15 | C16 | C17 | C18 | 176.9° | 180.0° |
| C15 | C16 | C17 | H171 | 64.1° | 60.0° |
| C15 | C16 | C17 | H172 | 56.9° | 60.0° |
| C5 | C15 | H151 | H152 | 119.2° | 120.1° |
| C5 | C15 | C16 | C17 | 156.4° | 180.0° |
| C5 | C15 | C16 | H161 | 85.9° | 60.0° |
| C5 | C15 | C16 | H162 | 36.4° | 59.9° |
| C15 | C5 | N4 | C6 | 124.2° | 120.0° |
| C15 | C5 | N4 | H5 | 119.4° | 120.0° |
| C15 | C5 | N4 | HN4 | 41.0° | 95.0° |
| C15 | C5 | C6 | H5 | 119.1° | 120.0° |
| C15 | C5 | C6 | O24 | 60.9° | 55.0° |
| C15 | C5 | C6 | H6 | 58.5° | 175.0° |
| H151 | C15 | C16 | C17 | 37.6° | 60.0° |
| H151 | C15 | C16 | H161 | 155.4° | 180.0° |
| H151 | C15 | C16 | H162 | 82.4° | 60.0° |
| H151 | C15 | C5 | N4 | 164.8° | 175.0° |
| H151 | C15 | C5 | C6 | 41.3° | 55.0° |
| H151 | C15 | C5 | H5 | 75.0° | 65.0° |
| H152 | C15 | C16 | C17 | 83.7° | 60.0° |
| H152 | C15 | C16 | H161 | 34.1° | 60.0° |
| H152 | C15 | C16 | H162 | 156.3° | 180.0° |
| H152 | C15 | C5 | N4 | 43.5° | 55.0° |
| H152 | C15 | C5 | C6 | 80.0° | 65.0° |
| H152 | C15 | C5 | H5 | 163.7° | 175.0° |
| C17 | C16 | H161 | H162 | 118.6° | 120.0° |
| C16 | C17 | C18 | H171 | 119.0° | 120.0° |
| C16 | C17 | C18 | H172 | 120.0° | 119.9° |
| C16 | C17 | H171 | H172 | 119.3° | 120.0° |
| C16 | C17 | C18 | N19 | 171.5° | 180.0° |
| C16 | C17 | C18 | H181 | 51.6° | 60.0° |
| C16 | C17 | C18 | H182 | 68.5° | 60.0° |
| H161 | C16 | C17 | C18 | 59.1° | 60.0° |
| H161 | C16 | C17 | H171 | 178.1° | 180.0° |
| H161 | C16 | C17 | H172 | 60.9° | 60.0° |
| H162 | C16 | C17 | C18 | 63.2° | 60.1° |
| H162 | C16 | C17 | H171 | 55.9° | 60.0° |
| H162 | C16 | C17 | H172 | 176.8° | 180.0° |
| N23 | C22 | O21 | C25 | 179.2° | 179.8° |
| N23 | C22 | C25 | N26 | 103.8° | 90.3° |
| N23 | C22 | O21 | N20 | 0.1° | 0.2° |
| N23 | C22 | C25 | H251 | 140.4° | 149.8° |
| N23 | C22 | C25 | H252 | 16.2° | 29.7° |
| O21 | C22 | C25 | N26 | 77.2° | 90.0° |
| O21 | C22 | C25 | H251 | 38.6° | 30.0° |
| O21 | C22 | C25 | H252 | 162.8° | 150.0° |
| C22 | C25 | N26 | C27 | 179.6° | 55.4° |
| C22 | C25 | N26 | C31 | 57.4° | 170.0° |
| C22 | C25 | N26 | H251 | 115.8° | 120.0° |
| C22 | C25 | N26 | H252 | 120.0° | 120.0° |
| C25 | C22 | O21 | N20 | 179.0° | 180.0° |
| C22 | C25 | H251 | H252 | 117.5° | 120.0° |
| C27 | N26 | C31 | C25 | 120.7° | 114.1° |
| N26 | C27 | C28 | H271 | 120.2° | 120.0° |
| N26 | C27 | C28 | H272 | 120.0° | 120.0° |
| N26 | C27 | H271 | H272 | 120.1° | 119.9° |
| N26 | C27 | C28 | N29 | 57.9° | 56.0° |
| C27 | N26 | C31 | C30 | 61.8° | 66.9° |
| C27 | N26 | C31 | H311 | 178.1° | 53.1° |
| C27 | N26 | C31 | H312 | 58.2° | 173.1° |
| C27 | N26 | C25 | H251 | 63.8° | 64.5° |
| C27 | N26 | C25 | H252 | 60.4° | 175.4° |
| N26 | C27 | C28 | H281 | 178.4° | 175.7° |
| N26 | C27 | C28 | H282 | 62.1° | 63.7° |
| C31 | N26 | C27 | C28 | 63.2° | 66.9° |
| C31 | N26 | C27 | H271 | 57.0° | 173.1° |
| C31 | N26 | C27 | H272 | 176.8° | 53.1° |
| N26 | C31 | C30 | N29 | 55.6° | 56.0° |
| N26 | C31 | C30 | H311 | 120.1° | 120.0° |
| N26 | C31 | C30 | H312 | 120.0° | 120.0° |
| N26 | C31 | C30 | H301 | 175.7° | 175.7° |
| N26 | C31 | C30 | H302 | 64.4° | 63.7° |
| N26 | C31 | H311 | H312 | 120.1° | 120.0° |
| C31 | N26 | C25 | H251 | 58.4° | 50.0° |
| C31 | N26 | C25 | H252 | 177.4° | 70.0° |
| C25 | N26 | C27 | C28 | 172.4° | 179.0° |
| C25 | N26 | C27 | H271 | 67.4° | 59.0° |
| C25 | N26 | C27 | H272 | 52.4° | 60.9° |
| C25 | N26 | C31 | C30 | 177.4° | 179.0° |
| C25 | N26 | C31 | H311 | 57.3° | 61.0° |
| C25 | N26 | C31 | H312 | 62.6° | 59.0° |
| N26 | C25 | H251 | H252 | 117.5° | 120.0° |
| C28 | C27 | H271 | H272 | 120.2° | 120.0° |
| C27 | C28 | N29 | C30 | 56.0° | 48.9° |
| C27 | C28 | N29 | C32 | 125.6° | 131.0° |
| C27 | C28 | N29 | H281 | 120.5° | 119.7° |
| C27 | C28 | N29 | H282 | 120.0° | 119.7° |
| C27 | C28 | H281 | H282 | 120.4° | 120.5° |
| H271 | C27 | C28 | N29 | 62.3° | 176.0° |
| H271 | C27 | C28 | H281 | 58.2° | 64.3° |
| H271 | C27 | C28 | H282 | 177.7° | 56.3° |
| H272 | C27 | C28 | N29 | 177.9° | 64.1° |
| H272 | C27 | C28 | H281 | 61.6° | 55.7° |
| H272 | C27 | C28 | H282 | 57.9° | 176.3° |
| C30 | N29 | C32 | C28 | 178.2° | 179.9° |
| N29 | C30 | C31 | H301 | 120.2° | 119.7° |
| N29 | C30 | C31 | H302 | 120.0° | 119.7° |
| N29 | C30 | H301 | H302 | 120.1° | 120.5° |
| N29 | C30 | C31 | H311 | 175.7° | 64.1° |
| N29 | C30 | C31 | H312 | 64.5° | 176.0° |
| C30 | N29 | C32 | C33 | 34.6° | 180.0° |
| C30 | N29 | C32 | O34 | 146.0° | 0.1° |
| C30 | N29 | C28 | H281 | 176.6° | 168.7° |
| C30 | N29 | C28 | H282 | 64.0° | 70.8° |
| C32 | N29 | C30 | C31 | 126.6° | 130.9° |
| C32 | N29 | C30 | H301 | 6.5° | 11.2° |
| C32 | N29 | C30 | H302 | 113.4° | 109.3° |
| N29 | C32 | C33 | O34 | 179.4° | 179.9° |
| N29 | C32 | C33 | C35 | 84.1° | 179.9° |
| N29 | C32 | C33 | H331 | 35.2° | 60.0° |
| N29 | C32 | C33 | H332 | 155.9° | 60.0° |
| C32 | N29 | C28 | H281 | 5.1° | 11.2° |
| C32 | N29 | C28 | H282 | 114.3° | 109.4° |
| C28 | N29 | C30 | C31 | 55.0° | 48.9° |
| C28 | N29 | C30 | H301 | 175.2° | 168.7° |
| C28 | N29 | C30 | H302 | 64.9° | 70.8° |
| C28 | N29 | C32 | C33 | 143.6° | 0.1° |
| C28 | N29 | C32 | O34 | 35.8° | 180.0° |
| N29 | C28 | H281 | H282 | 120.3° | 120.5° |
| C31 | C30 | H301 | H302 | 120.1° | 120.5° |
| C30 | C31 | H311 | H312 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 64.2° | 55.7° |
| H301 | C30 | C31 | H312 | 55.7° | 64.3° |
| H302 | C30 | C31 | H311 | 55.7° | 176.2° |
| H302 | C30 | C31 | H312 | 175.6° | 56.3° |
| C32 | C33 | C35 | H331 | 119.3° | 120.0° |
| C32 | C33 | C35 | H332 | 120.0° | 120.1° |
| C32 | C33 | H331 | H332 | 119.6° | 120.0° |
| C32 | C33 | C35 | C36 | 153.7° | 180.0° |
| C32 | C33 | C35 | H351 | 86.8° | 60.0° |
| C32 | C33 | C35 | H352 | 33.7° | 60.0° |
| O34 | C32 | C33 | C35 | 95.3° | 0.0° |
| O34 | C32 | C33 | H331 | 145.4° | 119.9° |
| O34 | C32 | C33 | H332 | 24.7° | 120.1° |
| C35 | C33 | H331 | H332 | 119.5° | 120.0° |
| C33 | C35 | C36 | H351 | 119.4° | 120.0° |
| C33 | C35 | C36 | H352 | 120.0° | 120.0° |
| C33 | C35 | H351 | H352 | 119.6° | 119.9° |
| C33 | C35 | C36 | C37 | 173.7° | 180.0° |
| C33 | C35 | C36 | H361 | 68.3° | 60.1° |
| C33 | C35 | C36 | H362 | 53.7° | 60.0° |
| H331 | C33 | C35 | C36 | 34.4° | 60.1° |
| H331 | C33 | C35 | H351 | 153.9° | 180.0° |
| H331 | C33 | C35 | H352 | 85.6° | 60.0° |
| H332 | C33 | C35 | C36 | 86.3° | 59.9° |
| H332 | C33 | C35 | H351 | 33.2° | 60.1° |
| H332 | C33 | C35 | H352 | 153.7° | 180.0° |
| C36 | C35 | H351 | H352 | 119.7° | 120.0° |
| C35 | C36 | C37 | H361 | 118.0° | 119.9° |
| C35 | C36 | C37 | H362 | 120.0° | 120.0° |
| C35 | C36 | H361 | H362 | 118.7° | 120.0° |
| C35 | C36 | C37 | C38 | 70.5° | 90.4° |
| C35 | C36 | C37 | C39 | 110.0° | 90.0° |
| H351 | C35 | C36 | C37 | 54.2° | 60.0° |
| H351 | C35 | C36 | H361 | 172.2° | 180.0° |
| H351 | C35 | C36 | H362 | 65.8° | 60.0° |
| H352 | C35 | C36 | C37 | 66.3° | 60.0° |
| H352 | C35 | C36 | H361 | 51.7° | 60.0° |
| H352 | C35 | C36 | H362 | 173.7° | NaN° |
| N4 | C5 | C6 | H5 | 120.0° | 120.0° |
| N4 | C5 | C6 | O24 | 178.2° | 65.0° |
| N4 | C5 | C6 | H6 | 62.5° | 55.0° |
| HN4 | N4 | C5 | C6 | 83.3° | 25.0° |
| HN4 | N4 | C5 | H5 | 160.4° | 145.0° |
| C5 | C6 | O24 | H6 | 115.3° | 120.0° |
| C5 | C6 | O24 | HO24 | 80.8° | 60.0° |
| H5 | C5 | C6 | O24 | 58.2° | 175.0° |
| H5 | C5 | C6 | H6 | 177.5° | 65.0° |
| C18 | C17 | H171 | H172 | 119.4° | 120.0° |
| C17 | C18 | N19 | H181 | 119.9° | 120.0° |
| C17 | C18 | N19 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 119.9° | 120.0° |
| C17 | C18 | N19 | H191 | 82.0° | 179.9° |
| C17 | C18 | N19 | H192 | 158.1° | 66.2° |
| H171 | C17 | C18 | N19 | 69.5° | 60.0° |
| H171 | C17 | C18 | H181 | 170.6° | 180.0° |
| H171 | C17 | C18 | H182 | 50.5° | 60.0° |
| H172 | C17 | C18 | N19 | 51.5° | 60.0° |
| H172 | C17 | C18 | H181 | 68.4° | 60.0° |
| H172 | C17 | C18 | H182 | 171.5° | 180.0° |
| N19 | C18 | H181 | H182 | 119.9° | 120.0° |
| C18 | N19 | H191 | H192 | 120.0° | 113.8° |
| H181 | C18 | N19 | H191 | 38.0° | 60.1° |
| H181 | C18 | N19 | H192 | 82.0° | 53.8° |
| H182 | C18 | N19 | H191 | 158.1° | 59.9° |
| H182 | C18 | N19 | H192 | 38.1° | 173.8° |
| HO24 | O24 | C6 | H6 | 163.9° | 180.0° |
| C37 | C36 | H361 | H362 | 118.7° | 120.0° |
| C36 | C37 | C38 | C39 | 179.6° | 179.6° |
| C36 | C37 | C38 | C40 | 179.5° | 179.8° |
| C36 | C37 | C38 | H38 | 0.5° | 0.3° |
| C36 | C37 | C39 | C41 | 179.4° | 180.0° |
| C36 | C37 | C39 | H39 | 0.6° | 0.1° |
| H361 | C36 | C37 | C38 | 47.5° | 149.7° |
| H361 | C36 | C37 | C39 | 132.1° | 29.9° |
| H362 | C36 | C37 | C38 | 169.5° | 29.7° |
| H362 | C36 | C37 | C39 | 10.1° | 149.9° |
| C37 | C38 | C40 | H38 | 180.0° | 179.5° |
| C38 | C37 | C39 | C41 | 0.1° | 0.4° |
| C38 | C37 | C39 | H39 | 179.9° | 179.7° |
| C37 | C38 | C40 | C42 | 0.2° | 0.6° |
| C37 | C38 | C40 | H40 | 179.8° | 179.7° |
| C39 | C37 | C38 | C40 | 0.1° | 0.6° |
| C39 | C37 | C38 | H38 | 179.9° | 179.9° |
| C37 | C39 | C41 | H39 | 180.0° | 179.9° |
| C37 | C39 | C41 | C42 | 0.0° | 0.1° |
| C37 | C39 | C41 | H41 | 180.0° | 179.9° |
| C38 | C40 | C42 | H40 | 180.0° | 179.7° |
| C38 | C40 | C42 | C41 | 0.3° | 0.3° |
| C38 | C40 | C42 | H42 | 179.6° | 179.8° |
| H38 | C38 | C40 | C42 | 179.8° | 179.9° |
| H38 | C38 | C40 | H40 | 0.2° | 0.3° |
| C39 | C41 | C42 | C40 | 0.3° | 0.1° |
| C39 | C41 | C42 | H41 | 180.0° | 179.9° |
| C39 | C41 | C42 | H42 | 179.7° | 180.0° |
| H39 | C39 | C41 | C42 | 180.0° | 180.0° |
| H39 | C39 | C41 | H41 | 0.0° | 0.1° |
| C40 | C42 | C41 | H42 | 180.0° | 179.9° |
| C40 | C42 | C41 | H41 | 179.8° | 180.0° |
| H40 | C40 | C42 | C41 | 179.7° | 180.0° |
| H40 | C40 | C42 | H42 | 0.3° | 0.1° |
| H41 | C41 | C42 | H42 | 0.3° | 0.1° |
