MM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C1 | C8 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| N7 | C8 | sing | 1.47Å | 1.49Å | |
| N7 | C28 | sing | 1.47Å | 1.49Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | O0 | doub | 1.21Å | 1.23Å | |
| C9 | N11 | sing | 1.35Å | 1.35Å | |
| N11 | C12 | sing | 1.47Å | 1.47Å | |
| N11 | C27 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | C26 | sing | 1.54Å | 1.53Å | |
| C13 | O14 | doub | 1.21Å | 1.22Å | |
| C13 | N15 | sing | 1.35Å | 1.35Å | |
| N15 | C16 | sing | 1.46Å | 1.47Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C23 | sing | 1.48Å | 1.49Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N24 | doub | 1.30Å | 1.30Å | |
| C23 | N25 | sing | 1.38Å | 1.39Å | |
| C26 | C27 | sing | 1.54Å | 1.53Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C10 | N2 | sing | 1.46Å | 1.47Å | |
| C29 | O30 | doub | 1.21Å | 1.23Å | |
| C29 | N2 | sing | 1.35Å | 1.37Å | |
| C30 | N2 | sing | 1.47Å | 1.48Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| N7 | H7 | sing | 1.01Å | 1.00Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | HA | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N25 | H252 | sing | 0.97Å | 1.00Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 110.1° | 109.4° |
| C2 | C1 | C8 | 110.4° | 109.5° |
| C1 | C2 | C3 | 111.1° | 109.4° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C1 | C2 | H21C | 109.0° | 109.4° |
| C1 | C2 | H22C | 109.1° | 109.5° |
| C6 | C1 | C8 | 111.1° | 109.4° |
| C1 | C6 | C5 | 111.2° | 109.5° |
| C6 | C1 | H1 | 108.4° | 109.5° |
| C1 | C6 | H61C | 109.0° | 109.4° |
| C1 | C6 | H62C | 109.0° | 109.4° |
| C1 | C8 | N7 | 111.4° | 109.5° |
| C1 | C8 | C9 | 110.0° | 109.5° |
| C8 | C1 | H1 | 108.4° | 109.5° |
| C1 | C8 | H8 | 108.7° | 109.4° |
| C2 | C3 | C4 | 110.9° | 109.4° |
| C3 | C2 | H21C | 109.1° | 109.5° |
| C3 | C2 | H22C | 109.0° | 109.5° |
| C2 | C3 | H31C | 109.1° | 109.5° |
| C2 | C3 | H32C | 109.1° | 109.4° |
| C3 | C4 | C5 | 110.8° | 109.5° |
| C4 | C3 | H31C | 109.1° | 109.5° |
| C4 | C3 | H32C | 109.1° | 109.5° |
| C3 | C4 | H41C | 109.2° | 109.4° |
| C3 | C4 | H42C | 109.1° | 109.5° |
| C4 | C5 | C6 | 109.1° | 109.5° |
| C5 | C4 | H41C | 109.1° | 109.4° |
| C5 | C4 | H42C | 109.1° | 109.5° |
| C4 | C5 | H51C | 109.6° | 109.5° |
| C4 | C5 | H52C | 109.6° | 109.5° |
| C5 | C6 | H61C | 109.0° | 109.5° |
| C5 | C6 | H62C | 109.0° | 109.5° |
| C6 | C5 | H51C | 109.6° | 109.5° |
| C6 | C5 | H52C | 109.5° | 109.4° |
| C8 | N7 | C28 | 115.4° | 111.0° |
| N7 | C8 | C9 | 107.8° | 109.5° |
| N7 | C8 | H8 | 109.6° | 109.5° |
| C8 | N7 | H7 | 107.9° | 111.0° |
| N7 | C28 | C29 | 111.3° | 109.5° |
| C28 | N7 | H7 | 108.0° | 111.0° |
| N7 | C28 | H281 | 109.0° | 109.5° |
| N7 | C28 | H282 | 109.0° | 109.5° |
| C8 | C9 | O0 | 119.1° | 120.0° |
| C8 | C9 | N11 | 122.8° | 120.0° |
| C9 | C8 | H8 | 109.3° | 109.5° |
| O0 | C9 | N11 | 118.1° | 120.0° |
| C9 | N11 | C12 | 130.6° | 136.1° |
| C9 | N11 | C27 | 138.1° | 136.1° |
| C12 | N11 | C27 | 90.6° | 87.9° |
| N11 | C12 | C13 | 105.7° | 113.5° |
| N11 | C12 | C26 | 91.6° | 88.0° |
| N11 | C12 | H22 | 114.6° | 113.5° |
| N11 | C27 | C26 | 91.2° | 87.9° |
| N11 | C27 | H271 | 113.8° | 113.4° |
| N11 | C27 | H272 | 113.8° | 113.4° |
| C13 | C12 | C26 | 115.8° | 113.4° |
| C12 | C13 | O14 | 119.8° | 120.0° |
| C12 | C13 | N15 | 119.4° | 120.0° |
| C13 | C12 | H22 | 113.6° | 112.8° |
| C12 | C26 | C27 | 86.0° | 83.3° |
| C26 | C12 | H22 | 113.4° | 113.5° |
| C12 | C26 | H261 | 115.0° | 114.2° |
| C12 | C26 | H262 | 115.0° | 114.2° |
| O14 | C13 | N15 | 120.4° | 120.0° |
| C13 | N15 | C16 | 120.7° | 120.0° |
| C13 | N15 | H15 | 119.7° | 120.0° |
| N15 | C16 | C17 | 107.9° | 109.5° |
| C16 | N15 | H15 | 119.6° | 120.0° |
| N15 | C16 | H161 | 109.8° | 109.5° |
| N15 | C16 | H162 | 109.9° | 109.5° |
| C16 | C17 | C18 | 118.8° | 119.9° |
| C16 | C17 | C22 | 120.2° | 119.9° |
| C17 | C16 | H161 | 109.9° | 109.5° |
| C17 | C16 | H162 | 109.9° | 109.4° |
| C18 | C17 | C22 | 120.9° | 120.2° |
| C17 | C18 | C19 | 120.3° | 120.1° |
| C17 | C18 | H18 | 119.9° | 119.9° |
| C17 | C22 | C21 | 119.9° | 120.2° |
| C17 | C22 | HA | 120.1° | 119.9° |
| C18 | C19 | C20 | 119.3° | 119.9° |
| C19 | C18 | H18 | 119.8° | 119.9° |
| C18 | C19 | H19 | 120.3° | 120.1° |
| C19 | C20 | C21 | 120.1° | 119.7° |
| C19 | C20 | C23 | 119.2° | 120.1° |
| C20 | C19 | H19 | 120.4° | 120.0° |
| C21 | C20 | C23 | 120.5° | 120.1° |
| C20 | C21 | C22 | 119.4° | 119.9° |
| C20 | C21 | H21 | 120.3° | 120.1° |
| C20 | C23 | N24 | 120.6° | 120.0° |
| C20 | C23 | N25 | 120.7° | 120.0° |
| C21 | C22 | HA | 120.1° | 120.0° |
| C22 | C21 | H21 | 120.3° | 120.0° |
| N24 | C23 | N25 | 118.6° | 120.0° |
| C23 | N24 | H24 | 112.0° | 120.0° |
| C23 | N25 | H251 | 120.0° | 120.0° |
| C23 | N25 | H252 | 120.0° | 120.0° |
| C26 | C27 | H271 | 113.9° | 113.5° |
| C26 | C27 | H272 | 113.8° | 113.6° |
| C27 | C26 | H261 | 115.0° | 114.4° |
| C27 | C26 | H262 | 115.0° | 114.1° |
| C28 | C29 | O30 | 118.8° | 120.0° |
| C28 | C29 | N2 | 122.4° | 120.0° |
| C29 | C28 | H281 | 109.0° | 109.5° |
| C29 | C28 | H282 | 109.0° | 109.5° |
| C10 | N2 | C29 | 122.5° | 120.0° |
| C10 | N2 | C30 | 117.1° | 120.0° |
| N2 | C10 | H101 | 109.5° | 109.5° |
| N2 | C10 | H102 | 109.5° | 109.5° |
| N2 | C10 | H103 | 109.5° | 109.4° |
| O30 | C29 | N2 | 118.8° | 120.0° |
| C29 | N2 | C30 | 120.4° | 120.0° |
| N2 | C30 | H301 | 109.5° | 109.4° |
| N2 | C30 | H302 | 109.5° | 109.4° |
| N2 | C30 | H303 | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.4° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.4° | 112.8° |
| H261 | C26 | H262 | 109.5° | 113.4° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H251 | N25 | H252 | 120.0° | 120.0° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H101 | C10 | H103 | 109.4° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C8 | 122.6° | 120.0° |
| C2 | C1 | C6 | H1 | 118.5° | 120.0° |
| C2 | C1 | C8 | H1 | 118.6° | 120.0° |
| C1 | C2 | C3 | H21C | 120.2° | 119.9° |
| C1 | C2 | C3 | H22C | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 55.8° | 60.0° |
| C2 | C1 | C6 | C5 | 57.6° | 60.0° |
| C2 | C1 | C8 | N7 | 53.3° | 174.3° |
| C2 | C1 | C8 | C9 | 172.7° | 65.7° |
| C1 | C2 | H21C | H22C | 119.3° | 120.0° |
| C2 | C1 | C6 | H61C | 62.7° | 60.0° |
| C2 | C1 | C6 | H62C | 177.8° | 179.9° |
| C2 | C1 | C8 | H8 | 67.6° | 54.3° |
| C1 | C2 | C3 | H31C | 64.4° | 60.0° |
| C1 | C2 | C3 | H32C | 176.1° | 180.0° |
| C6 | C1 | C8 | H1 | 119.0° | 120.0° |
| C6 | C1 | C2 | C3 | 55.5° | 60.0° |
| C1 | C6 | C5 | C4 | 58.8° | 60.0° |
| C1 | C6 | C5 | H61C | 120.3° | 120.0° |
| C1 | C6 | C5 | H62C | 120.2° | 120.0° |
| C6 | C1 | C8 | N7 | 175.6° | 65.8° |
| C6 | C1 | C8 | C9 | 64.9° | 54.3° |
| C6 | C1 | C2 | H21C | 175.8° | 180.0° |
| C6 | C1 | C2 | H22C | 64.7° | 60.0° |
| C1 | C6 | H61C | H62C | 119.2° | 119.9° |
| C6 | C1 | C8 | H8 | 54.7° | 174.3° |
| C1 | C6 | C5 | H51C | 61.1° | 60.0° |
| C1 | C6 | C5 | H52C | 178.8° | 179.9° |
| C8 | C1 | C2 | C3 | 178.5° | 180.0° |
| C8 | C1 | C6 | C5 | 179.8° | 180.0° |
| C1 | C8 | N7 | C9 | 120.7° | 120.0° |
| C1 | C8 | N7 | H8 | 120.4° | 119.9° |
| C1 | C8 | N7 | C28 | 178.1° | 81.2° |
| C1 | C8 | C9 | H8 | 119.3° | 120.0° |
| C1 | C8 | C9 | O0 | 80.6° | 94.3° |
| C1 | C8 | C9 | N11 | 101.2° | 85.7° |
| C8 | C1 | C2 | H21C | 61.3° | 60.1° |
| C8 | C1 | C2 | H22C | 58.3° | 59.9° |
| C8 | C1 | C6 | H61C | 59.9° | 59.9° |
| C8 | C1 | C6 | H62C | 59.6° | 60.0° |
| C1 | C8 | N7 | H7 | 57.2° | 42.8° |
| C2 | C3 | C4 | H31C | 120.2° | 120.0° |
| C2 | C3 | C4 | H32C | 120.2° | 119.9° |
| C2 | C3 | C4 | C5 | 57.5° | 60.0° |
| C3 | C2 | C1 | H1 | 62.9° | 60.0° |
| C3 | C2 | H21C | H22C | 119.2° | 120.1° |
| C2 | C3 | H31C | H32C | 119.3° | 120.0° |
| C2 | C3 | C4 | H41C | 177.7° | 180.0° |
| C2 | C3 | C4 | H42C | 62.7° | 60.0° |
| C3 | C4 | C5 | H41C | 120.2° | 120.0° |
| C3 | C4 | C5 | H42C | 120.2° | 120.0° |
| C3 | C4 | C5 | C6 | 58.4° | 60.0° |
| C4 | C3 | C2 | H21C | 176.1° | 180.0° |
| C4 | C3 | C2 | H22C | 64.4° | 60.0° |
| C4 | C3 | H31C | H32C | 119.3° | 120.0° |
| C3 | C4 | H41C | H42C | 119.4° | 120.0° |
| C3 | C4 | C5 | H51C | 61.5° | 60.0° |
| C3 | C4 | C5 | H52C | 178.3° | 180.0° |
| C4 | C5 | C6 | H51C | 120.0° | 120.0° |
| C4 | C5 | C6 | H52C | 119.9° | 120.1° |
| C4 | C5 | C6 | H61C | 61.4° | 60.0° |
| C4 | C5 | C6 | H62C | 179.1° | 180.0° |
| C5 | C4 | C3 | H31C | 62.7° | 60.0° |
| C5 | C4 | C3 | H32C | 177.7° | 180.0° |
| C5 | C4 | H41C | H42C | 119.4° | 120.0° |
| C4 | C5 | H51C | H52C | 120.2° | 120.1° |
| C5 | C6 | C1 | H1 | 60.9° | 60.0° |
| C5 | C6 | H61C | H62C | 119.2° | 120.1° |
| C6 | C5 | C4 | H41C | 178.6° | 180.0° |
| C6 | C5 | C4 | H42C | 61.8° | 60.0° |
| C6 | C5 | H51C | H52C | 120.2° | 119.9° |
| C8 | N7 | C28 | H7 | 120.9° | 123.9° |
| N7 | C8 | C9 | H8 | 119.1° | 120.0° |
| N7 | C8 | C9 | O0 | 41.0° | 25.7° |
| N7 | C8 | C9 | N11 | 137.2° | 154.3° |
| C8 | N7 | C28 | C29 | 146.4° | 174.7° |
| N7 | C8 | C1 | H1 | 65.4° | 54.2° |
| C8 | N7 | C28 | H281 | 26.1° | 54.7° |
| C8 | N7 | C28 | H282 | 93.3° | 65.2° |
| C28 | N7 | C8 | C9 | 61.2° | 158.8° |
| N7 | C28 | C29 | H281 | 120.3° | 120.0° |
| N7 | C28 | C29 | H282 | 120.3° | 120.1° |
| N7 | C28 | C29 | O30 | 15.4° | 0.0° |
| N7 | C28 | C29 | N2 | 163.9° | 180.0° |
| C28 | N7 | C8 | H8 | 57.7° | 38.8° |
| N7 | C28 | H281 | H282 | 119.1° | 120.0° |
| C8 | C9 | O0 | N11 | 178.3° | 180.0° |
| C8 | C9 | N11 | C12 | 171.5° | 175.9° |
| C8 | C9 | N11 | C27 | 4.6° | 3.7° |
| C9 | C8 | C1 | H1 | 54.1° | 174.3° |
| C9 | C8 | N7 | H7 | 178.0° | 77.3° |
| O0 | C9 | N11 | C12 | 6.7° | 4.1° |
| O0 | C9 | N11 | C27 | 173.6° | 176.2° |
| O0 | C9 | C8 | H8 | 160.1° | 145.7° |
| C9 | N11 | C12 | C27 | 171.3° | 179.7° |
| C9 | N11 | C12 | C13 | 47.6° | 38.2° |
| C9 | N11 | C12 | C26 | 164.9° | 152.9° |
| C9 | N11 | C27 | C26 | 163.7° | 152.9° |
| C9 | N11 | C12 | H22 | 78.3° | 92.3° |
| N11 | C9 | C8 | H8 | 18.1° | 34.3° |
| C9 | N11 | C27 | H271 | 79.4° | 92.3° |
| C9 | N11 | C27 | H272 | 46.9° | 38.1° |
| N11 | C12 | C13 | C26 | 99.7° | 98.4° |
| N11 | C12 | C13 | H22 | 126.5° | 130.8° |
| N11 | C12 | C26 | H22 | 117.7° | 114.8° |
| N11 | C12 | C13 | O14 | 49.9° | 0.0° |
| N11 | C12 | C13 | N15 | 122.4° | 180.0° |
| C12 | N11 | C27 | C26 | 6.4° | 27.3° |
| C12 | N11 | C27 | H271 | 110.5° | 87.5° |
| C12 | N11 | C27 | H272 | 123.2° | 142.2° |
| N11 | C12 | C26 | H261 | 109.6° | 87.5° |
| N11 | C12 | C26 | H262 | 121.9° | 139.6° |
| C27 | N11 | C12 | C13 | 123.7° | 142.1° |
| N11 | C27 | C26 | H271 | 116.8° | 114.7° |
| N11 | C27 | C26 | H272 | 116.8° | 114.7° |
| C27 | N11 | C12 | H22 | 110.4° | 87.5° |
| N11 | C27 | H271 | H272 | 128.7° | 130.7° |
| N11 | C27 | C26 | H261 | 109.6° | 87.3° |
| N11 | C27 | C26 | H262 | 121.9° | 139.8° |
| C13 | C12 | C26 | H22 | 133.9° | 130.4° |
| C12 | C13 | O14 | N15 | 172.3° | 180.0° |
| C12 | C13 | N15 | C16 | 176.5° | 180.0° |
| C13 | C12 | C26 | C27 | 114.5° | 141.0° |
| C13 | C12 | C26 | H261 | 1.2° | 27.3° |
| C13 | C12 | C26 | H262 | 129.8° | 105.6° |
| C12 | C13 | N15 | H15 | 3.5° | 0.0° |
| C26 | C12 | C13 | O14 | 49.7° | 98.5° |
| C26 | C12 | C13 | N15 | 137.9° | 81.6° |
| C12 | C26 | C27 | H261 | 115.7° | 113.6° |
| C12 | C26 | C27 | H262 | 115.8° | 113.5° |
| C12 | C26 | C27 | H271 | 110.7° | 88.5° |
| C12 | C26 | C27 | H272 | 122.9° | 141.0° |
| C12 | C26 | H261 | H262 | 131.2° | 133.2° |
| O14 | C13 | N15 | C16 | 4.2° | 0.0° |
| O14 | C13 | C12 | H22 | 176.4° | 130.7° |
| O14 | C13 | N15 | H15 | 175.8° | 180.0° |
| C13 | N15 | C16 | H15 | 180.0° | 180.0° |
| C13 | N15 | C16 | C17 | 119.2° | 180.0° |
| N15 | C13 | C12 | H22 | 4.1° | 49.2° |
| C13 | N15 | C16 | H161 | 121.1° | 60.0° |
| C13 | N15 | C16 | H162 | 0.6° | 60.0° |
| N15 | C16 | C17 | H161 | 119.7° | 120.0° |
| N15 | C16 | C17 | H162 | 119.8° | 120.0° |
| N15 | C16 | C17 | C18 | 95.5° | 89.9° |
| N15 | C16 | C17 | C22 | 83.2° | 90.3° |
| N15 | C16 | H161 | H162 | 120.7° | 120.0° |
| C16 | C17 | C18 | C22 | 178.7° | 179.8° |
| C16 | C17 | C18 | C19 | 179.6° | 180.0° |
| C16 | C17 | C22 | C21 | 178.3° | 179.7° |
| C17 | C16 | N15 | H15 | 60.8° | 0.0° |
| C17 | C16 | H161 | H162 | 120.7° | 120.0° |
| C16 | C17 | C18 | H18 | 0.4° | 0.1° |
| C16 | C17 | C22 | HA | 1.7° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 3.3° | 0.0° |
| C18 | C17 | C22 | C21 | 0.4° | 0.5° |
| C18 | C17 | C16 | H161 | 24.2° | 30.1° |
| C18 | C17 | C16 | H162 | 144.7° | 150.0° |
| C18 | C17 | C22 | HA | 179.6° | 179.8° |
| C17 | C18 | C19 | H19 | 176.7° | 180.0° |
| C22 | C17 | C18 | C19 | 1.7° | 0.3° |
| C17 | C22 | C21 | C20 | 0.8° | 0.5° |
| C17 | C22 | C21 | HA | 180.0° | 179.7° |
| C22 | C17 | C16 | H161 | 157.1° | 149.7° |
| C22 | C17 | C16 | H162 | 36.6° | 29.8° |
| C22 | C17 | C18 | H18 | 178.3° | 179.7° |
| C17 | C22 | C21 | H21 | 179.2° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 2.8° | 0.0° |
| C18 | C19 | C20 | C23 | 178.2° | 180.0° |
| C19 | C20 | C21 | C23 | 175.3° | 180.0° |
| C19 | C20 | C21 | C22 | 0.8° | 0.2° |
| C19 | C20 | C23 | N24 | 24.5° | 0.0° |
| C19 | C20 | C23 | N25 | 151.5° | 180.0° |
| C20 | C19 | C18 | H18 | 176.7° | 180.0° |
| C19 | C20 | C21 | H21 | 179.2° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.8° |
| C21 | C20 | C23 | N24 | 160.2° | 180.0° |
| C21 | C20 | C23 | N25 | 23.8° | 0.0° |
| C20 | C21 | C22 | HA | 179.2° | 179.8° |
| C21 | C20 | C19 | H19 | 177.2° | 180.0° |
| C23 | C20 | C21 | C22 | 176.1° | 179.8° |
| C20 | C23 | N24 | N25 | 176.1° | 180.0° |
| C23 | C20 | C19 | H19 | 1.8° | 0.0° |
| C23 | C20 | C21 | H21 | 3.9° | 0.0° |
| C20 | C23 | N24 | H24 | 176.1° | 180.0° |
| C20 | C23 | N25 | H251 | 176.1° | 0.0° |
| C20 | C23 | N25 | H252 | 3.9° | 180.0° |
| N24 | C23 | N25 | H251 | 0.0° | 180.0° |
| N24 | C23 | N25 | H252 | 180.0° | 0.0° |
| N25 | C23 | N24 | H24 | 0.0° | 0.1° |
| C23 | N25 | H251 | H252 | 180.0° | 180.0° |
| C27 | C26 | C12 | H22 | 111.6° | 88.6° |
| C26 | C27 | H271 | H272 | 128.7° | 131.0° |
| C27 | C26 | H261 | H262 | 131.2° | 133.2° |
| C28 | C29 | N2 | C10 | 1.0° | 180.0° |
| C28 | C29 | O30 | N2 | 179.3° | 180.0° |
| C28 | C29 | N2 | C30 | 178.7° | 0.0° |
| C29 | C28 | N7 | H7 | 92.8° | 61.4° |
| C29 | C28 | H281 | H282 | 119.2° | 120.0° |
| C10 | N2 | C29 | O30 | 179.8° | 0.0° |
| C10 | N2 | C29 | C30 | 179.6° | 180.0° |
| N2 | C10 | H101 | H102 | 120.0° | 120.1° |
| N2 | C10 | H101 | H103 | 120.0° | 119.9° |
| N2 | C10 | H102 | H103 | 120.0° | 120.0° |
| C10 | N2 | C30 | H301 | 180.0° | 0.0° |
| C10 | N2 | C30 | H302 | 60.0° | 120.0° |
| C10 | N2 | C30 | H303 | 60.0° | 120.0° |
| O30 | C29 | N2 | C30 | 0.6° | 180.0° |
| O30 | C29 | C28 | H281 | 135.7° | 120.1° |
| O30 | C29 | C28 | H282 | 104.9° | 120.0° |
| N2 | C29 | C28 | H281 | 43.6° | 60.0° |
| N2 | C29 | C28 | H282 | 75.9° | 59.9° |
| C29 | N2 | C10 | H101 | 180.0° | 89.9° |
| C29 | N2 | C10 | H102 | 60.0° | 150.0° |
| C29 | N2 | C10 | H103 | 60.0° | 30.0° |
| C29 | N2 | C30 | H301 | 0.3° | 180.0° |
| C29 | N2 | C30 | H302 | 119.7° | 60.0° |
| C29 | N2 | C30 | H303 | 120.4° | 60.0° |
| C30 | N2 | C10 | H101 | 0.3° | 90.1° |
| C30 | N2 | C10 | H102 | 119.7° | 30.0° |
| C30 | N2 | C10 | H103 | 120.3° | 150.0° |
| N2 | C30 | H301 | H302 | 120.0° | 119.9° |
| N2 | C30 | H301 | H303 | 120.0° | 120.0° |
| N2 | C30 | H302 | H303 | 120.0° | 120.0° |
| H22 | C12 | C26 | H261 | 132.7° | 157.7° |
| H22 | C12 | C26 | H262 | 4.2° | 24.8° |
| H1 | C1 | C2 | H21C | 57.3° | 60.0° |
| H1 | C1 | C2 | H22C | 176.8° | 180.0° |
| H1 | C1 | C6 | H61C | 178.8° | 180.0° |
| H1 | C1 | C6 | H62C | 59.3° | 60.0° |
| H1 | C1 | C8 | H8 | 173.7° | 65.7° |
| H21C | C2 | C3 | H31C | 55.8° | 59.9° |
| H21C | C2 | C3 | H32C | 63.7° | 60.1° |
| H22C | C2 | C3 | H31C | 175.4° | 180.0° |
| H22C | C2 | C3 | H32C | 55.8° | 60.0° |
| H61C | C6 | C5 | H51C | 178.6° | 180.0° |
| H61C | C6 | C5 | H52C | 58.5° | 60.1° |
| H62C | C6 | C5 | H51C | 59.1° | 60.0° |
| H62C | C6 | C5 | H52C | 61.0° | 60.0° |
| H8 | C8 | N7 | H7 | 63.2° | 162.7° |
| H31C | C3 | C4 | H41C | 57.5° | 60.0° |
| H31C | C3 | C4 | H42C | 177.1° | 180.0° |
| H32C | C3 | C4 | H41C | 62.1° | 60.1° |
| H32C | C3 | C4 | H42C | 57.5° | 59.9° |
| H41C | C4 | C5 | H51C | 58.7° | 60.0° |
| H41C | C4 | C5 | H52C | 61.4° | 60.0° |
| H42C | C4 | C5 | H51C | 178.3° | 180.0° |
| H42C | C4 | C5 | H52C | 58.1° | 60.0° |
| H7 | N7 | C28 | H281 | 147.0° | 178.6° |
| H7 | N7 | C28 | H282 | 27.5° | 58.7° |
| H271 | C27 | C26 | H261 | 133.6° | 158.0° |
| H271 | C27 | C26 | H262 | 5.1° | 25.1° |
| H272 | C27 | C26 | H261 | 7.2° | 27.4° |
| H272 | C27 | C26 | H262 | 121.3° | 105.5° |
| H15 | N15 | C16 | H161 | 59.0° | 120.0° |
| H15 | N15 | C16 | H162 | 179.4° | 120.0° |
| H18 | C18 | C19 | H19 | 3.3° | 0.1° |
| HA | C22 | C21 | H21 | 0.8° | 0.0° |
| H101 | C10 | H102 | H103 | 119.9° | 120.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
