CMM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C11 | doub | 1.21Å | 1.22Å | |
| C11 | O12 | sing | 1.35Å | 1.22Å | |
| C11 | C10 | sing | 1.49Å | 1.32Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C10 | O14 | doub | 1.21Å | 1.22Å | |
| C10 | C7 | sing | 1.46Å | 1.49Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C3 | sing | 1.48Å | 1.47Å | Aromatic |
| C8 | N9 | sing | 1.34Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.40Å | 1.47Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.38Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.47Å | Aromatic |
| N9 | H9 | sing | 0.97Å | 1.02Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | C15 | sing | 1.51Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.31Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.51Å | 1.46Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C20 | C23 | sing | 1.51Å | 1.47Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C24 | N29 | sing | 1.46Å | 1.45Å | |
| C24 | H24 | sing | 1.09Å | 1.12Å | |
| C25 | O26 | sing | 1.34Å | 1.44Å | |
| C25 | O28 | doub | 1.21Å | 1.21Å | |
| O26 | C27 | sing | 1.45Å | 1.42Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C27 | H273 | sing | 1.09Å | 1.12Å | |
| N29 | C30 | sing | 1.35Å | 1.33Å | |
| N29 | H29 | sing | 0.97Å | 1.02Å | |
| C30 | O38 | doub | 1.21Å | 1.22Å | |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | C37 | sing | 1.53Å | 1.53Å | |
| C32 | H32 | sing | 1.09Å | 1.11Å | |
| C33 | N34 | sing | 1.47Å | 1.46Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C35 | N34 | sing | 1.47Å | 1.47Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| N34 | C39 | sing | 1.38Å | 1.41Å | |
| C39 | N41 | doub | 1.30Å | 1.34Å | |
| C39 | N40 | sing | 1.37Å | 1.34Å | |
| N41 | H41 | sing | 0.97Å | 1.02Å | |
| N40 | H401 | sing | 0.97Å | 1.02Å | |
| N40 | H402 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C11 | O12 | 120.8° | 120.0° |
| O13 | C11 | C10 | 119.7° | 120.0° |
| O12 | C11 | C10 | 119.5° | 120.0° |
| C11 | O12 | H12 | 120.7° | 120.0° |
| C11 | C10 | O14 | 121.0° | 120.0° |
| C11 | C10 | C7 | 118.0° | 120.0° |
| O14 | C10 | C7 | 120.9° | 120.0° |
| C10 | C7 | C8 | 134.5° | 126.9° |
| C10 | C7 | C3 | 116.3° | 126.9° |
| C8 | C7 | C3 | 109.2° | 106.1° |
| C7 | C8 | N9 | 108.4° | 109.6° |
| C7 | C8 | H8 | 126.4° | 125.2° |
| C7 | C3 | C4 | 102.2° | 105.9° |
| C7 | C3 | C2 | 137.2° | 134.0° |
| N9 | C8 | H8 | 125.3° | 125.3° |
| C8 | N9 | C4 | 110.9° | 110.8° |
| C8 | N9 | H9 | 124.9° | 124.6° |
| C4 | C3 | C2 | 120.6° | 120.2° |
| C3 | C4 | N9 | 109.3° | 107.7° |
| C3 | C4 | C5 | 116.3° | 119.3° |
| C3 | C2 | C1 | 120.2° | 119.7° |
| C3 | C2 | H2 | 119.7° | 120.2° |
| N9 | C4 | C5 | 134.4° | 133.0° |
| C4 | N9 | H9 | 124.1° | 124.6° |
| C4 | C5 | C6 | 120.7° | 119.9° |
| C4 | C5 | C15 | 118.9° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.2° |
| C2 | C1 | C6 | 122.1° | 120.3° |
| C2 | C1 | H1 | 118.9° | 119.9° |
| C6 | C1 | H1 | 119.0° | 119.9° |
| C1 | C6 | C5 | 120.1° | 120.6° |
| C1 | C6 | H6 | 120.3° | 119.7° |
| C5 | C6 | H6 | 119.6° | 119.7° |
| C6 | C5 | C15 | 120.4° | 120.0° |
| C5 | C15 | C16 | 179.3° | 109.5° |
| C5 | C15 | H151 | 90.2° | 109.5° |
| C5 | C15 | H152 | 90.2° | 109.4° |
| C16 | C15 | H151 | 90.2° | 109.5° |
| C16 | C15 | H152 | 90.2° | 109.4° |
| C15 | C16 | C17 | 179.6° | 109.5° |
| C15 | C16 | H161 | 90.1° | 109.5° |
| C15 | C16 | H162 | 90.1° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| C17 | C16 | H161 | 90.1° | 109.5° |
| C17 | C16 | H162 | 90.1° | 109.5° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C16 | C17 | C22 | 117.8° | 120.0° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| C18 | C17 | C22 | 122.2° | 120.0° |
| C17 | C18 | C19 | 119.2° | 120.0° |
| C17 | C18 | H18 | 120.6° | 120.0° |
| C17 | C22 | C21 | 118.3° | 120.0° |
| C17 | C22 | H22 | 120.6° | 119.9° |
| C19 | C18 | H18 | 120.2° | 120.0° |
| C18 | C19 | C20 | 118.6° | 120.0° |
| C18 | C19 | H19 | 120.4° | 120.0° |
| C20 | C19 | H19 | 120.9° | 120.0° |
| C19 | C20 | C21 | 121.3° | 120.0° |
| C19 | C20 | C23 | 121.0° | 120.0° |
| C21 | C22 | H22 | 121.1° | 120.0° |
| C22 | C21 | C20 | 120.3° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| C21 | C20 | C23 | 117.7° | 120.0° |
| C20 | C23 | C24 | 115.9° | 109.5° |
| C20 | C23 | H231 | 109.9° | 109.5° |
| C20 | C23 | H232 | 109.9° | 109.4° |
| C24 | C23 | H231 | 109.9° | 109.5° |
| C24 | C23 | H232 | 109.9° | 109.5° |
| C23 | C24 | C25 | 108.9° | 109.5° |
| C23 | C24 | N29 | 110.6° | 109.5° |
| C23 | C24 | H24 | 110.2° | 109.5° |
| H231 | C23 | H232 | 100.3° | 109.5° |
| C25 | C24 | N29 | 112.5° | 109.5° |
| C25 | C24 | H24 | 108.3° | 109.5° |
| C24 | C25 | O26 | 119.8° | 120.0° |
| C24 | C25 | O28 | 120.9° | 120.0° |
| N29 | C24 | H24 | 106.4° | 109.5° |
| C24 | N29 | C30 | 119.1° | 120.0° |
| C24 | N29 | H29 | 124.8° | 120.0° |
| O26 | C25 | O28 | 119.2° | 120.0° |
| C25 | O26 | C27 | 119.1° | 120.0° |
| O26 | C27 | H271 | 119.1° | 109.5° |
| O26 | C27 | H272 | 108.7° | 109.5° |
| O26 | C27 | H273 | 108.7° | 109.5° |
| H271 | C27 | H272 | 108.7° | 109.4° |
| H271 | C27 | H273 | 108.8° | 109.5° |
| H272 | C27 | H273 | 101.3° | 109.5° |
| C30 | N29 | H29 | 116.1° | 120.0° |
| N29 | C30 | O38 | 123.2° | 120.0° |
| N29 | C30 | C31 | 116.2° | 120.0° |
| O38 | C30 | C31 | 120.5° | 120.1° |
| C30 | C31 | C32 | 110.0° | 109.4° |
| C30 | C31 | H311 | 112.0° | 109.5° |
| C30 | C31 | H312 | 112.0° | 109.5° |
| C32 | C31 | H311 | 112.0° | 109.5° |
| C32 | C31 | H312 | 112.0° | 109.4° |
| C31 | C32 | C33 | 108.4° | 109.5° |
| C31 | C32 | C37 | 111.3° | 109.5° |
| C31 | C32 | H32 | 108.9° | 109.5° |
| H311 | C31 | H312 | 98.4° | 109.5° |
| C33 | C32 | C37 | 109.1° | 109.3° |
| C33 | C32 | H32 | 111.0° | 109.5° |
| C32 | C33 | N34 | 107.5° | 108.7° |
| C32 | C33 | H331 | 112.9° | 109.5° |
| C32 | C33 | H332 | 113.0° | 109.6° |
| C37 | C32 | H32 | 108.1° | 109.4° |
| C32 | C37 | C36 | 110.5° | 109.5° |
| C32 | C37 | H371 | 111.8° | 109.4° |
| C32 | C37 | H372 | 111.8° | 109.4° |
| N34 | C33 | H331 | 112.9° | 109.6° |
| N34 | C33 | H332 | 112.9° | 109.7° |
| C33 | N34 | C35 | 118.2° | 118.9° |
| C33 | N34 | C39 | 120.8° | 120.6° |
| H331 | C33 | H332 | 97.5° | 109.7° |
| C36 | C37 | H371 | 111.8° | 109.5° |
| C36 | C37 | H372 | 111.8° | 109.5° |
| C37 | C36 | C35 | 112.0° | 109.3° |
| C37 | C36 | H361 | 111.2° | 109.5° |
| C37 | C36 | H362 | 111.3° | 109.4° |
| H371 | C37 | H372 | 98.6° | 109.5° |
| C35 | C36 | H361 | 111.3° | 109.5° |
| C35 | C36 | H362 | 111.2° | 109.5° |
| C36 | C35 | N34 | 108.5° | 108.8° |
| C36 | C35 | H351 | 112.6° | 109.6° |
| C36 | C35 | H352 | 112.6° | 109.6° |
| H361 | C36 | H362 | 99.2° | 109.5° |
| N34 | C35 | H351 | 112.5° | 109.6° |
| N34 | C35 | H352 | 112.6° | 109.5° |
| C35 | N34 | C39 | 121.0° | 120.6° |
| H351 | C35 | H352 | 97.9° | 109.7° |
| N34 | C39 | N41 | 119.9° | 120.0° |
| N34 | C39 | N40 | 119.8° | 120.0° |
| N41 | C39 | N40 | 120.4° | 120.0° |
| C39 | N41 | H41 | 63.7° | 120.0° |
| C39 | N40 | H401 | 119.8° | 120.0° |
| C39 | N40 | H402 | 108.5° | 120.0° |
| H401 | N40 | H402 | 108.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C11 | O12 | C10 | 179.4° | 180.0° |
| O13 | C11 | O12 | H12 | 180.0° | 0.0° |
| O13 | C11 | C10 | O14 | 64.1° | 180.0° |
| O13 | C11 | C10 | C7 | 115.4° | 0.0° |
| O12 | C11 | C10 | O14 | 116.6° | 0.0° |
| O12 | C11 | C10 | C7 | 64.0° | 180.0° |
| C10 | C11 | O12 | H12 | 0.7° | 180.0° |
| C11 | C10 | O14 | C7 | 179.4° | 180.0° |
| C11 | C10 | C7 | C8 | 20.3° | 0.1° |
| C11 | C10 | C7 | C3 | 159.0° | 179.6° |
| O14 | C10 | C7 | C8 | 160.3° | 179.9° |
| O14 | C10 | C7 | C3 | 20.5° | 0.4° |
| C10 | C7 | C8 | C3 | 179.3° | 179.6° |
| C10 | C7 | C8 | N9 | 179.4° | 180.0° |
| C10 | C7 | C8 | H8 | 0.6° | 0.3° |
| C10 | C7 | C3 | C4 | 179.5° | 180.0° |
| C10 | C7 | C3 | C2 | 0.3° | 0.3° |
| C7 | C8 | N9 | H8 | 180.0° | 179.7° |
| C8 | C7 | C3 | C4 | 0.1° | 0.4° |
| C8 | C7 | C3 | C2 | 179.7° | 179.9° |
| C7 | C8 | N9 | C4 | 0.1° | 0.3° |
| C7 | C8 | N9 | H9 | 179.9° | 179.7° |
| C3 | C7 | C8 | N9 | 0.1° | 0.4° |
| C3 | C7 | C8 | H8 | 179.9° | 179.9° |
| C7 | C3 | C4 | C2 | 179.8° | 179.8° |
| C7 | C3 | C4 | N9 | 0.0° | 0.2° |
| C7 | C3 | C4 | C5 | 179.5° | 179.7° |
| C7 | C3 | C2 | C1 | 179.9° | 179.9° |
| C7 | C3 | C2 | H2 | 0.1° | 0.1° |
| C8 | N9 | C4 | C3 | 0.0° | 0.0° |
| C8 | N9 | C4 | H9 | 180.0° | 179.9° |
| C8 | N9 | C4 | C5 | 179.5° | 179.4° |
| H8 | C8 | N9 | C4 | 179.9° | 179.9° |
| H8 | C8 | N9 | H9 | 0.1° | 0.0° |
| C3 | C4 | N9 | C5 | 179.4° | 179.4° |
| C3 | C4 | N9 | H9 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.2° |
| C4 | C3 | C2 | H2 | 179.7° | 179.8° |
| C3 | C4 | C5 | C6 | 0.5° | 0.5° |
| C3 | C4 | C5 | C15 | 179.6° | 179.7° |
| C2 | C3 | C4 | N9 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.5° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| N9 | C4 | C5 | C6 | 179.9° | 179.8° |
| N9 | C4 | C5 | C15 | 1.0° | 0.4° |
| C5 | C4 | N9 | H9 | 0.5° | 0.7° |
| C4 | C5 | C6 | C1 | 0.1° | 0.1° |
| C4 | C5 | C6 | C15 | 179.1° | 179.8° |
| C4 | C5 | C6 | H6 | 179.9° | 179.8° |
| C4 | C5 | C15 | C16 | 29.1° | 90.2° |
| C4 | C5 | C15 | H151 | 154.4° | 149.7° |
| C4 | C5 | C15 | H152 | 96.1° | 29.7° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.2° | 0.2° |
| C2 | C1 | C6 | H6 | 179.8° | 179.9° |
| H2 | C2 | C1 | C6 | 179.9° | 179.9° |
| H2 | C2 | C1 | H1 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C15 | 179.2° | 179.9° |
| H1 | C1 | C6 | C5 | 179.8° | 180.0° |
| H1 | C1 | C6 | H6 | 0.2° | 0.1° |
| C6 | C5 | C15 | C16 | 151.8° | 90.0° |
| C6 | C5 | C15 | H151 | 26.5° | 30.1° |
| C6 | C5 | C15 | H152 | 83.0° | 150.1° |
| H6 | C6 | C5 | C15 | 0.8° | 0.0° |
| C5 | C15 | C16 | H151 | 125.3° | 120.0° |
| C5 | C15 | C16 | H152 | 125.2° | 120.0° |
| C5 | C15 | H151 | H152 | 90.2° | 120.0° |
| C5 | C15 | C16 | C17 | 54.8° | 180.0° |
| C5 | C15 | C16 | H161 | 179.9° | 60.0° |
| C5 | C15 | C16 | H162 | 70.4° | 60.0° |
| C16 | C15 | H151 | H152 | 90.3° | 120.0° |
| C15 | C16 | C17 | H161 | 125.2° | 120.1° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 90.1° | 120.0° |
| C15 | C16 | C17 | C18 | 17.9° | 89.9° |
| C15 | C16 | C17 | C22 | 162.2° | 90.0° |
| H151 | C15 | C16 | C17 | 70.4° | 60.0° |
| H151 | C15 | C16 | H161 | 54.8° | NaN° |
| H151 | C15 | C16 | H162 | 164.3° | 60.0° |
| H152 | C15 | C16 | C17 | 179.9° | 60.0° |
| H152 | C15 | C16 | H161 | 54.7° | 60.0° |
| H152 | C15 | C16 | H162 | 54.8° | 180.0° |
| C17 | C16 | H161 | H162 | 90.2° | 120.0° |
| C16 | C17 | C18 | C22 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 0.2° | 0.1° |
| C16 | C17 | C22 | C21 | 179.7° | 179.8° |
| C16 | C17 | C22 | H22 | 0.3° | 0.0° |
| H161 | C16 | C17 | C18 | 143.1° | 150.0° |
| H161 | C16 | C17 | C22 | 37.0° | 30.0° |
| H162 | C16 | C17 | C18 | 107.4° | 30.0° |
| H162 | C16 | C17 | C22 | 72.5° | 150.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C17 | C22 | C21 | 0.4° | 0.2° |
| C18 | C17 | C22 | H22 | 179.6° | 179.9° |
| C22 | C17 | C18 | C19 | 0.0° | 0.1° |
| C22 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C22 | C21 | H22 | 180.0° | 179.8° |
| C17 | C22 | C21 | C20 | 0.8° | 0.5° |
| C17 | C22 | C21 | H21 | 179.2° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.3° |
| C18 | C19 | C20 | C23 | 179.9° | 180.0° |
| H18 | C18 | C19 | C20 | 180.0° | 179.9° |
| H18 | C18 | C19 | H19 | 0.0° | 0.0° |
| C19 | C20 | C21 | C22 | 0.8° | 0.5° |
| C19 | C20 | C21 | C23 | 179.7° | 179.7° |
| C19 | C20 | C21 | H21 | 179.1° | 179.9° |
| C19 | C20 | C23 | C24 | 121.1° | 90.0° |
| C19 | C20 | C23 | H231 | 113.6° | 30.0° |
| C19 | C20 | C23 | H232 | 4.1° | 150.0° |
| H19 | C19 | C20 | C21 | 179.6° | 179.8° |
| H19 | C19 | C20 | C23 | 0.1° | 0.0° |
| C22 | C21 | C20 | H21 | 180.0° | 179.5° |
| C22 | C21 | C20 | C23 | 179.5° | 179.8° |
| H22 | C22 | C21 | C20 | 179.2° | 179.8° |
| H22 | C22 | C21 | H21 | 0.8° | 0.2° |
| C21 | C20 | C23 | C24 | 58.5° | 90.3° |
| C21 | C20 | C23 | H231 | 66.8° | 149.7° |
| C21 | C20 | C23 | H232 | 176.2° | 29.7° |
| H21 | C21 | C20 | C23 | 0.5° | 0.2° |
| C20 | C23 | C24 | H231 | 125.3° | 120.1° |
| C20 | C23 | C24 | H232 | 125.3° | 119.9° |
| C20 | C23 | H231 | H232 | 115.7° | 120.0° |
| C20 | C23 | C24 | C25 | 171.6° | 180.0° |
| C20 | C23 | C24 | N29 | 64.4° | 60.0° |
| C20 | C23 | C24 | H24 | 53.0° | 60.0° |
| C24 | C23 | H231 | H232 | 115.7° | 120.0° |
| C23 | C24 | C25 | N29 | 122.9° | 120.0° |
| C23 | C24 | C25 | H24 | 119.8° | 120.0° |
| C23 | C24 | N29 | H24 | 119.7° | 120.0° |
| C23 | C24 | C25 | O26 | 80.5° | 90.0° |
| C23 | C24 | C25 | O28 | 99.9° | 90.0° |
| C23 | C24 | N29 | C30 | 150.0° | 150.0° |
| C23 | C24 | N29 | H29 | 30.0° | 30.0° |
| H231 | C23 | C24 | C25 | 46.4° | 59.9° |
| H231 | C23 | C24 | N29 | 170.4° | 60.0° |
| H231 | C23 | C24 | H24 | 72.2° | 180.0° |
| H232 | C23 | C24 | C25 | 63.1° | 60.1° |
| H232 | C23 | C24 | N29 | 60.9° | 180.0° |
| H232 | C23 | C24 | H24 | 178.3° | 60.0° |
| C25 | C24 | N29 | H24 | 118.4° | 120.0° |
| C24 | C25 | O26 | O28 | 179.6° | 180.0° |
| C24 | C25 | O26 | C27 | 157.7° | 180.0° |
| C25 | C24 | N29 | C30 | 88.1° | 90.0° |
| C25 | C24 | N29 | H29 | 91.9° | 90.0° |
| N29 | C24 | C25 | O26 | 156.6° | 30.0° |
| N29 | C24 | C25 | O28 | 23.0° | 150.0° |
| C24 | N29 | C30 | H29 | 180.0° | 180.0° |
| C24 | N29 | C30 | O38 | 8.1° | 0.0° |
| C24 | N29 | C30 | C31 | 171.7° | 180.0° |
| H24 | C24 | C25 | O26 | 39.3° | 150.0° |
| H24 | C24 | C25 | O28 | 140.3° | 30.0° |
| H24 | C24 | N29 | C30 | 30.3° | 30.0° |
| H24 | C24 | N29 | H29 | 149.7° | 150.0° |
| C25 | O26 | C27 | H271 | 180.0° | 180.0° |
| C25 | O26 | C27 | H272 | 54.7° | 60.0° |
| C25 | O26 | C27 | H273 | 54.7° | 60.0° |
| O28 | C25 | O26 | C27 | 22.6° | 0.0° |
| O26 | C27 | H271 | H272 | 125.2° | 120.0° |
| O26 | C27 | H271 | H273 | 125.3° | 120.0° |
| O26 | C27 | H272 | H273 | 114.4° | 120.1° |
| H271 | C27 | H272 | H273 | 114.5° | 120.0° |
| N29 | C30 | O38 | C31 | 179.8° | 180.0° |
| N29 | C30 | C31 | C32 | 110.8° | 180.0° |
| N29 | C30 | C31 | H311 | 14.5° | 60.0° |
| N29 | C30 | C31 | H312 | 123.9° | 60.0° |
| H29 | N29 | C30 | O38 | 171.9° | 180.0° |
| H29 | N29 | C30 | C31 | 8.2° | 0.0° |
| O38 | C30 | C31 | C32 | 69.4° | 0.0° |
| O38 | C30 | C31 | H311 | 165.3° | 120.0° |
| O38 | C30 | C31 | H312 | 55.9° | 119.9° |
| C30 | C31 | C32 | H311 | 125.3° | 120.0° |
| C30 | C31 | C32 | H312 | 125.3° | 119.9° |
| C30 | C31 | H311 | H312 | 117.9° | 120.1° |
| C30 | C31 | C32 | C33 | 179.9° | 60.1° |
| C30 | C31 | C32 | C37 | 59.9° | 179.9° |
| C30 | C31 | C32 | H32 | 59.2° | 60.1° |
| C32 | C31 | H311 | H312 | 117.9° | 120.0° |
| C31 | C32 | C33 | C37 | 121.4° | 120.0° |
| C31 | C32 | C33 | H32 | 119.5° | 120.1° |
| C31 | C32 | C37 | H32 | 119.5° | 120.0° |
| C31 | C32 | C33 | N34 | 179.7° | 174.5° |
| C31 | C32 | C33 | H331 | 54.5° | 54.8° |
| C31 | C32 | C33 | H332 | 54.9° | 65.6° |
| C31 | C32 | C37 | C36 | 178.7° | 178.7° |
| C31 | C32 | C37 | H371 | 56.0° | 58.6° |
| C31 | C32 | C37 | H372 | 53.5° | 61.3° |
| H311 | C31 | C32 | C33 | 54.7° | 179.9° |
| H311 | C31 | C32 | C37 | 65.4° | 60.0° |
| H311 | C31 | C32 | H32 | 175.5° | 59.9° |
| H312 | C31 | C32 | C33 | 54.7° | 59.9° |
| H312 | C31 | C32 | C37 | 174.8° | 60.0° |
| H312 | C31 | C32 | H32 | 66.1° | 180.0° |
| C33 | C32 | C37 | H32 | 120.9° | 120.0° |
| C32 | C33 | N34 | H331 | 125.3° | 119.7° |
| C32 | C33 | N34 | H332 | 125.3° | 119.8° |
| C32 | C33 | H331 | H332 | 118.9° | 120.3° |
| C33 | C32 | C37 | C36 | 59.2° | 61.3° |
| C33 | C32 | C37 | H371 | 175.5° | 178.7° |
| C33 | C32 | C37 | H372 | 66.1° | 58.7° |
| C32 | C33 | N34 | C35 | 59.1° | 53.5° |
| C32 | C33 | N34 | C39 | 120.1° | 126.4° |
| C37 | C32 | C33 | N34 | 58.4° | 54.5° |
| C37 | C32 | C33 | H331 | 66.9° | 65.2° |
| C37 | C32 | C33 | H332 | 176.3° | 174.4° |
| C32 | C37 | C36 | H371 | 125.3° | 120.0° |
| C32 | C37 | C36 | H372 | 125.2° | 120.0° |
| C32 | C37 | H371 | H372 | 117.7° | 119.9° |
| C32 | C37 | C36 | C35 | 55.3° | 61.4° |
| C32 | C37 | C36 | H361 | 70.0° | 58.6° |
| C32 | C37 | C36 | H362 | 179.5° | 178.7° |
| H32 | C32 | C33 | N34 | 60.7° | 65.4° |
| H32 | C32 | C33 | H331 | 174.0° | 174.9° |
| H32 | C32 | C33 | H332 | 64.6° | 54.5° |
| H32 | C32 | C37 | C36 | 61.7° | 58.7° |
| H32 | C32 | C37 | H371 | 63.6° | 61.4° |
| H32 | C32 | C37 | H372 | 173.1° | 178.7° |
| N34 | C33 | H331 | H332 | 118.8° | 120.4° |
| C33 | N34 | C35 | C36 | 54.2° | 53.6° |
| C33 | N34 | C35 | C39 | 179.2° | 179.9° |
| C33 | N34 | C35 | H351 | 179.5° | 173.4° |
| C33 | N34 | C35 | H352 | 71.0° | 66.2° |
| C33 | N34 | C39 | N41 | 159.5° | 5.4° |
| C33 | N34 | C39 | N40 | 20.3° | 174.6° |
| H331 | C33 | N34 | C35 | 66.2° | 66.2° |
| H331 | C33 | N34 | C39 | 114.6° | 113.9° |
| H332 | C33 | N34 | C35 | 175.6° | 173.3° |
| H332 | C33 | N34 | C39 | 5.2° | 6.6° |
| C36 | C37 | H371 | H372 | 117.7° | 120.0° |
| C37 | C36 | C35 | H361 | 125.2° | 120.0° |
| C37 | C36 | C35 | H362 | 125.2° | 119.9° |
| C37 | C36 | H361 | H362 | 117.2° | 120.0° |
| C37 | C36 | C35 | N34 | 49.6° | 54.6° |
| C37 | C36 | C35 | H351 | 174.9° | 174.4° |
| C37 | C36 | C35 | H352 | 75.6° | 65.1° |
| H371 | C37 | C36 | C35 | 179.4° | 178.7° |
| H371 | C37 | C36 | H361 | 55.3° | 61.3° |
| H371 | C37 | C36 | H362 | 54.2° | 58.7° |
| H372 | C37 | C36 | C35 | 70.0° | 58.6° |
| H372 | C37 | C36 | H361 | 164.8° | 178.6° |
| H372 | C37 | C36 | H362 | 55.2° | 61.4° |
| C35 | C36 | H361 | H362 | 117.2° | 120.1° |
| C36 | C35 | N34 | H351 | 125.3° | 119.8° |
| C36 | C35 | N34 | H352 | 125.3° | 119.8° |
| C36 | C35 | H351 | H352 | 118.5° | 120.4° |
| C36 | C35 | N34 | C39 | 124.9° | 126.4° |
| H361 | C36 | C35 | N34 | 75.6° | 65.4° |
| H361 | C36 | C35 | H351 | 49.7° | 54.5° |
| H361 | C36 | C35 | H352 | 159.1° | 174.9° |
| H362 | C36 | C35 | N34 | 174.9° | 174.5° |
| H362 | C36 | C35 | H351 | 59.9° | 65.6° |
| H362 | C36 | C35 | H352 | 49.6° | 54.8° |
| N34 | C35 | H351 | H352 | 118.5° | 120.3° |
| C35 | N34 | C39 | N41 | 21.4° | 174.7° |
| C35 | N34 | C39 | N40 | 158.9° | 5.3° |
| H351 | C35 | N34 | C39 | 0.4° | 6.6° |
| H352 | C35 | N34 | C39 | 109.8° | 113.8° |
| N34 | C39 | N41 | N40 | 179.7° | 180.0° |
| N34 | C39 | N41 | H41 | 9.5° | 180.0° |
| N34 | C39 | N40 | H401 | 180.0° | 174.5° |
| N34 | C39 | N40 | H402 | 54.7° | 5.5° |
| N41 | C39 | N40 | H401 | 0.2° | 5.5° |
| N41 | C39 | N40 | H402 | 125.5° | 174.5° |
| N40 | C39 | N41 | H41 | 170.8° | 0.0° |
| C39 | N40 | H401 | H402 | 125.3° | 179.9° |
