IIE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.47Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.47Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.39Å | 1.49Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.41Å | 1.47Å | Aromatic |
| C3 | N7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.46Å | Aromatic |
| C4 | C9 | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.37Å | 1.47Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N7 | C8 | sing | 1.38Å | 1.32Å | Aromatic |
| N7 | C37 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C10 | sing | 1.47Å | 1.36Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | N11 | sing | 1.35Å | 1.34Å | |
| C10 | O56 | doub | 1.22Å | 1.24Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C17 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | N15 | sing | 1.47Å | 1.49Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N15 | C16 | sing | 1.47Å | 1.49Å | |
| N15 | C27 | sing | 1.47Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | C32 | sing | 1.53Å | 1.52Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | N12 | sing | 1.35Å | 1.35Å | |
| C38 | O14 | doub | 1.21Å | 1.24Å | |
| C43 | C40 | sing | 1.38Å | 1.45Å | Aromatic |
| C43 | C45 | doub | 1.39Å | 1.46Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C40 | C47 | doub | 1.38Å | 1.46Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C45 | C49 | sing | 1.39Å | 1.46Å | Aromatic |
| C45 | N12 | sing | 1.40Å | 1.35Å | |
| C47 | C48 | sing | 1.38Å | 1.45Å | Aromatic |
| C47 | CL50 | sing | 1.74Å | 1.68Å | |
| C48 | C49 | doub | 1.38Å | 1.46Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| N12 | HA | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.8° | 120.6° |
| C2 | C1 | H1 | 120.1° | 119.7° |
| C1 | C2 | C3 | 119.2° | 119.8° |
| C1 | C2 | H2 | 120.4° | 120.1° |
| C6 | C1 | H1 | 120.1° | 119.7° |
| C1 | C6 | C5 | 120.0° | 120.6° |
| C1 | C6 | H6 | 120.0° | 119.7° |
| C3 | C2 | H2 | 120.4° | 120.0° |
| C2 | C3 | C4 | 120.9° | 119.4° |
| C2 | C3 | N7 | 133.3° | 133.2° |
| C4 | C3 | N7 | 105.8° | 107.4° |
| C3 | C4 | C5 | 118.8° | 119.7° |
| C3 | C4 | C9 | 106.7° | 106.9° |
| C3 | N7 | C8 | 109.5° | 108.8° |
| C3 | N7 | C37 | 124.2° | 125.6° |
| C5 | C4 | C9 | 134.5° | 133.4° |
| C4 | C5 | C6 | 121.2° | 119.8° |
| C4 | C5 | H5 | 119.4° | 120.1° |
| C4 | C9 | C8 | 106.3° | 107.7° |
| C4 | C9 | H9 | 126.9° | 126.2° |
| C6 | C5 | H5 | 119.4° | 120.1° |
| C5 | C6 | H6 | 120.0° | 119.7° |
| C8 | N7 | C37 | 126.4° | 125.6° |
| N7 | C8 | C9 | 111.7° | 109.1° |
| N7 | C8 | C10 | 124.8° | 125.4° |
| N7 | C37 | C38 | 105.8° | 109.5° |
| N7 | C37 | H371 | 111.5° | 109.5° |
| N7 | C37 | H372 | 110.7° | 109.5° |
| C9 | C8 | C10 | 122.9° | 125.4° |
| C8 | C9 | H9 | 126.9° | 126.1° |
| C8 | C10 | N11 | 115.7° | 120.0° |
| C8 | C10 | O56 | 119.0° | 120.0° |
| N11 | C10 | O56 | 125.3° | 120.0° |
| C10 | N11 | C12 | 114.0° | 120.0° |
| C10 | N11 | H11 | 123.0° | 120.0° |
| C12 | N11 | H11 | 123.0° | 120.0° |
| N11 | C12 | C13 | 106.6° | 109.5° |
| N11 | C12 | C17 | 110.4° | 109.6° |
| N11 | C12 | H12 | 111.2° | 109.7° |
| C13 | C12 | C17 | 110.8° | 108.9° |
| C13 | C12 | H12 | 110.8° | 109.6° |
| C12 | C13 | C14 | 110.7° | 109.2° |
| C12 | C13 | H131 | 108.8° | 109.5° |
| C12 | C13 | H132 | 109.1° | 109.6° |
| C17 | C12 | H12 | 107.1° | 109.6° |
| C12 | C17 | C16 | 109.7° | 109.2° |
| C12 | C17 | H171 | 109.3° | 109.5° |
| C12 | C17 | H172 | 109.4° | 109.5° |
| C14 | C13 | H131 | 108.8° | 109.5° |
| C14 | C13 | H132 | 109.0° | 109.5° |
| C13 | C14 | N15 | 108.9° | 109.8° |
| C13 | C14 | H141 | 109.8° | 109.4° |
| C13 | C14 | H142 | 109.7° | 109.4° |
| H131 | C13 | H132 | 110.4° | 109.6° |
| N15 | C14 | H141 | 109.8° | 109.5° |
| N15 | C14 | H142 | 109.7° | 109.4° |
| C14 | N15 | C16 | 111.1° | 107.3° |
| C14 | N15 | C27 | 107.8° | 106.7° |
| H141 | C14 | H142 | 109.0° | 109.3° |
| C16 | N15 | C27 | 116.9° | 106.7° |
| N15 | C16 | C17 | 108.1° | 109.8° |
| N15 | C16 | H161 | 110.3° | 109.4° |
| N15 | C16 | H162 | 109.9° | 109.4° |
| N15 | C27 | C28 | 113.1° | 109.5° |
| N15 | C27 | C32 | 108.4° | 109.5° |
| N15 | C27 | H27 | 108.1° | 109.5° |
| C17 | C16 | H161 | 110.3° | 109.5° |
| C17 | C16 | H162 | 109.9° | 109.4° |
| C16 | C17 | H171 | 109.4° | 109.5° |
| C16 | C17 | H172 | 109.4° | 109.5° |
| H161 | C16 | H162 | 108.4° | 109.3° |
| H171 | C17 | H172 | 109.7° | 109.5° |
| C28 | C27 | C32 | 110.6° | 109.5° |
| C28 | C27 | H27 | 105.9° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.4° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C32 | C27 | H27 | 110.7° | 109.5° |
| C27 | C32 | H321 | 109.5° | 109.5° |
| C27 | C32 | H322 | 109.5° | 109.5° |
| C27 | C32 | H323 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.4° |
| C38 | C37 | H371 | 111.5° | 109.5° |
| C38 | C37 | H372 | 110.7° | 109.5° |
| C37 | C38 | N12 | 109.2° | 120.0° |
| C37 | C38 | O14 | 122.3° | 120.0° |
| H371 | C37 | H372 | 106.7° | 109.4° |
| N12 | C38 | O14 | 128.5° | 120.0° |
| C38 | N12 | C45 | 125.5° | 120.0° |
| C38 | N12 | HA | 117.3° | 120.1° |
| C40 | C43 | C45 | 120.6° | 119.9° |
| C40 | C43 | H43 | 119.7° | 120.0° |
| C43 | C40 | C47 | 120.3° | 120.1° |
| C43 | C40 | H40 | 119.8° | 120.0° |
| C45 | C43 | H43 | 119.7° | 120.1° |
| C43 | C45 | C49 | 118.7° | 119.9° |
| C43 | C45 | N12 | 123.6° | 120.0° |
| C47 | C40 | H40 | 119.8° | 120.0° |
| C40 | C47 | C48 | 119.9° | 120.1° |
| C40 | C47 | CL50 | 119.3° | 119.9° |
| C49 | C45 | N12 | 117.6° | 120.0° |
| C45 | C49 | C48 | 121.3° | 120.0° |
| C45 | C49 | H49 | 119.4° | 120.1° |
| C45 | N12 | HA | 117.2° | 119.9° |
| C48 | C47 | CL50 | 120.7° | 119.9° |
| C47 | C48 | C49 | 119.2° | 120.0° |
| C47 | C48 | H48 | 120.4° | 120.0° |
| C49 | C48 | H48 | 120.4° | 120.0° |
| C48 | C49 | H49 | 119.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | N7 | 178.3° | 179.7° |
| C2 | C1 | C6 | C5 | 0.6° | 0.1° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.1° |
| C6 | C1 | C2 | H2 | 179.1° | 179.9° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.5° | 180.0° |
| H1 | C1 | C2 | C3 | 179.1° | 180.0° |
| H1 | C1 | C2 | H2 | 0.9° | 0.0° |
| H1 | C1 | C6 | C5 | 179.4° | 180.0° |
| H1 | C1 | C6 | H6 | 0.6° | 0.0° |
| C2 | C3 | C4 | N7 | 178.8° | 179.8° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | C9 | 178.7° | 180.0° |
| C2 | C3 | N7 | C8 | 179.0° | 179.9° |
| C2 | C3 | N7 | C37 | 3.1° | 0.0° |
| H2 | C2 | C3 | C4 | 179.8° | 180.0° |
| H2 | C2 | C3 | N7 | 1.7° | 0.3° |
| C3 | C4 | C5 | C9 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C3 | C4 | C5 | H5 | 178.8° | 180.0° |
| C4 | C3 | N7 | C8 | 0.4° | 0.4° |
| C4 | C3 | N7 | C37 | 178.3° | 179.8° |
| C3 | C4 | C9 | C8 | 0.7° | 0.0° |
| C3 | C4 | C9 | H9 | 179.4° | 180.0° |
| N7 | C3 | C4 | C5 | 179.7° | 179.8° |
| N7 | C3 | C4 | C9 | 0.2° | 0.2° |
| C3 | N7 | C8 | C37 | 177.8° | 179.9° |
| C3 | N7 | C8 | C9 | 0.9° | 0.4° |
| C3 | N7 | C8 | C10 | 170.3° | 179.9° |
| C3 | N7 | C37 | C38 | 80.0° | 95.7° |
| C3 | N7 | C37 | H371 | 158.6° | 144.3° |
| C3 | N7 | C37 | H372 | 40.0° | 24.3° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C5 | C4 | C9 | C8 | 179.9° | 180.0° |
| C5 | C4 | C9 | H9 | 0.1° | 0.0° |
| C9 | C4 | C5 | C6 | 178.2° | 180.0° |
| C9 | C4 | C5 | H5 | 1.8° | 0.0° |
| C4 | C9 | C8 | N7 | 1.0° | 0.2° |
| C4 | C9 | C8 | H9 | 180.0° | 180.0° |
| C4 | C9 | C8 | C10 | 170.4° | 179.9° |
| H5 | C5 | C6 | H6 | 0.5° | 0.0° |
| N7 | C8 | C9 | C10 | 171.3° | 179.7° |
| N7 | C8 | C9 | H9 | 179.1° | 179.7° |
| N7 | C8 | C10 | N11 | 142.9° | 174.8° |
| N7 | C8 | C10 | O56 | 37.1° | 5.2° |
| C8 | N7 | C37 | C38 | 97.5° | 84.5° |
| C8 | N7 | C37 | H371 | 23.9° | 35.5° |
| C8 | N7 | C37 | H372 | 142.5° | 155.5° |
| C37 | N7 | C8 | C9 | 178.7° | 179.8° |
| C37 | N7 | C8 | C10 | 7.5° | 0.0° |
| N7 | C37 | C38 | H371 | 121.4° | 120.0° |
| N7 | C37 | C38 | H372 | 120.0° | 120.0° |
| N7 | C37 | H371 | H372 | 121.0° | 120.0° |
| N7 | C37 | C38 | N12 | 170.5° | 180.0° |
| N7 | C37 | C38 | O14 | 11.0° | 0.0° |
| C9 | C8 | C10 | N11 | 46.9° | 4.9° |
| C9 | C8 | C10 | O56 | 133.1° | 175.1° |
| C10 | C8 | C9 | H9 | 9.6° | 0.0° |
| C8 | C10 | N11 | O56 | 180.0° | 180.0° |
| C8 | C10 | N11 | C12 | 171.2° | 174.9° |
| C8 | C10 | N11 | H11 | 8.8° | 5.0° |
| C10 | N11 | C12 | H11 | 180.0° | 179.9° |
| C10 | N11 | C12 | C13 | 121.2° | 85.6° |
| C10 | N11 | C12 | C17 | 118.3° | 155.0° |
| C10 | N11 | C12 | H12 | 0.4° | 34.7° |
| O56 | C10 | N11 | C12 | 8.8° | 5.0° |
| O56 | C10 | N11 | H11 | 171.2° | 175.0° |
| N11 | C12 | C13 | C17 | 120.2° | 119.9° |
| N11 | C12 | C13 | H12 | 121.1° | 120.3° |
| N11 | C12 | C17 | H12 | 121.2° | 120.4° |
| N11 | C12 | C13 | C14 | 174.7° | 175.4° |
| N11 | C12 | C13 | H131 | 55.2° | 55.6° |
| N11 | C12 | C13 | H132 | 65.4° | 64.7° |
| N11 | C12 | C17 | C16 | 173.6° | 175.4° |
| N11 | C12 | C17 | H171 | 66.5° | 55.4° |
| N11 | C12 | C17 | H172 | 53.6° | 64.7° |
| H11 | N11 | C12 | C13 | 58.8° | 94.5° |
| H11 | N11 | C12 | C17 | 61.7° | 24.9° |
| H11 | N11 | C12 | H12 | 179.6° | 145.3° |
| C13 | C12 | C17 | H12 | 120.9° | 119.8° |
| C12 | C13 | C14 | H131 | 119.5° | 119.9° |
| C12 | C13 | C14 | H132 | 120.0° | 119.9° |
| C12 | C13 | H131 | H132 | 119.7° | 120.2° |
| C12 | C13 | C14 | N15 | 56.9° | 61.4° |
| C12 | C13 | C14 | H141 | 177.1° | 58.8° |
| C12 | C13 | C14 | H142 | 63.1° | 178.5° |
| C13 | C12 | C17 | C16 | 55.7° | 55.6° |
| C13 | C12 | C17 | H171 | 175.6° | 64.4° |
| C13 | C12 | C17 | H172 | 64.3° | 175.5° |
| C17 | C12 | C13 | C14 | 54.5° | 55.6° |
| C17 | C12 | C13 | H131 | 65.0° | 64.3° |
| C17 | C12 | C13 | H132 | 174.5° | 175.5° |
| C12 | C17 | C16 | N15 | 59.3° | 61.4° |
| C12 | C17 | C16 | H171 | 119.9° | 119.9° |
| C12 | C17 | C16 | H172 | 120.0° | 119.9° |
| C12 | C17 | C16 | H161 | 179.9° | 178.5° |
| C12 | C17 | C16 | H162 | 60.7° | 58.7° |
| C12 | C17 | H171 | H172 | 119.9° | 120.1° |
| H12 | C12 | C13 | C14 | 64.2° | 64.3° |
| H12 | C12 | C13 | H131 | 176.3° | 175.9° |
| H12 | C12 | C13 | H132 | 55.8° | 55.6° |
| H12 | C12 | C17 | C16 | 65.2° | 64.2° |
| H12 | C12 | C17 | H171 | 54.7° | 175.8° |
| H12 | C12 | C17 | H172 | 174.8° | 55.7° |
| C14 | C13 | H131 | H132 | 119.6° | 120.1° |
| C13 | C14 | N15 | H141 | 120.2° | 120.1° |
| C13 | C14 | N15 | H142 | 120.0° | 120.1° |
| C13 | C14 | H141 | H142 | 120.2° | 119.8° |
| C13 | C14 | N15 | C16 | 62.7° | 65.6° |
| C13 | C14 | N15 | C27 | 168.0° | 179.7° |
| H131 | C13 | C14 | N15 | 62.6° | 58.5° |
| H131 | C13 | C14 | H141 | 57.6° | 178.7° |
| H131 | C13 | C14 | H142 | 177.4° | 61.6° |
| H132 | C13 | C14 | N15 | 176.9° | 178.7° |
| H132 | C13 | C14 | H141 | 62.9° | 61.2° |
| H132 | C13 | C14 | H142 | 56.9° | 58.6° |
| N15 | C14 | H141 | H142 | 120.1° | 119.8° |
| C14 | N15 | C16 | C27 | 124.4° | 114.1° |
| C14 | N15 | C16 | C17 | 63.9° | 65.6° |
| C14 | N15 | C16 | H161 | 175.5° | 174.2° |
| C14 | N15 | C16 | H162 | 56.1° | 54.4° |
| C14 | N15 | C27 | C28 | 61.5° | 176.7° |
| C14 | N15 | C27 | C32 | 175.5° | 63.3° |
| C14 | N15 | C27 | H27 | 55.4° | 56.7° |
| H141 | C14 | N15 | C16 | 177.1° | 54.5° |
| H141 | C14 | N15 | C27 | 47.7° | 59.6° |
| H142 | C14 | N15 | C16 | 57.3° | 174.3° |
| H142 | C14 | N15 | C27 | 72.0° | 60.2° |
| N15 | C16 | C17 | H161 | 120.6° | 120.2° |
| N15 | C16 | C17 | H162 | 120.0° | 120.0° |
| N15 | C16 | H161 | H162 | 120.4° | 119.8° |
| N15 | C16 | C17 | H171 | 179.2° | 58.6° |
| N15 | C16 | C17 | H172 | 60.7° | 178.7° |
| C16 | N15 | C27 | C28 | 64.6° | 62.2° |
| C16 | N15 | C27 | C32 | 58.4° | 177.8° |
| C16 | N15 | C27 | H27 | 178.5° | 57.8° |
| C27 | N15 | C16 | C17 | 171.7° | 179.7° |
| C27 | N15 | C16 | H161 | 51.1° | 60.1° |
| C27 | N15 | C16 | H162 | 68.3° | 59.6° |
| N15 | C27 | C28 | C32 | 121.8° | 120.0° |
| N15 | C27 | C28 | H27 | 118.2° | 120.0° |
| N15 | C27 | C32 | H27 | 118.5° | 120.1° |
| N15 | C27 | C28 | H281 | 111.1° | 60.0° |
| N15 | C27 | C28 | H282 | 8.9° | 180.0° |
| N15 | C27 | C28 | H283 | 128.9° | 60.0° |
| N15 | C27 | C32 | H321 | 96.3° | 53.7° |
| N15 | C27 | C32 | H322 | 143.7° | 66.3° |
| N15 | C27 | C32 | H323 | 23.7° | 173.8° |
| C17 | C16 | H161 | H162 | 120.4° | 119.8° |
| C16 | C17 | H171 | H172 | 119.9° | 120.1° |
| H161 | C16 | C17 | H171 | 60.2° | 61.6° |
| H161 | C16 | C17 | H172 | 59.9° | 58.5° |
| H162 | C16 | C17 | H171 | 59.2° | 178.6° |
| H162 | C16 | C17 | H172 | 179.3° | 61.2° |
| C28 | C27 | C32 | H27 | 117.1° | 120.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C28 | C27 | C32 | H321 | 139.2° | 66.3° |
| C28 | C27 | C32 | H322 | 19.2° | 173.8° |
| C28 | C27 | C32 | H323 | 100.8° | 53.8° |
| C32 | C27 | C28 | H281 | 127.1° | 60.0° |
| C32 | C27 | C28 | H282 | 112.9° | 60.0° |
| C32 | C27 | C28 | H283 | 7.1° | 180.0° |
| C27 | C32 | H321 | H322 | 120.0° | 120.0° |
| C27 | C32 | H321 | H323 | 120.0° | 120.0° |
| C27 | C32 | H322 | H323 | 120.0° | 120.0° |
| H27 | C27 | C28 | H281 | 7.1° | 179.9° |
| H27 | C27 | C28 | H282 | 127.1° | 59.9° |
| H27 | C27 | C28 | H283 | 112.9° | 60.0° |
| H27 | C27 | C32 | H321 | 22.1° | 173.8° |
| H27 | C27 | C32 | H322 | 97.8° | 53.8° |
| H27 | C27 | C32 | H323 | 142.2° | 66.2° |
| H281 | C28 | H282 | H283 | 120.0° | 120.1° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
| C38 | C37 | H371 | H372 | 121.0° | 120.0° |
| C37 | C38 | N12 | O14 | 178.4° | 180.0° |
| C37 | C38 | N12 | C45 | 143.0° | 174.8° |
| C37 | C38 | N12 | HA | 37.0° | 5.2° |
| H371 | C37 | C38 | N12 | 68.1° | 60.0° |
| H371 | C37 | C38 | O14 | 110.4° | 120.0° |
| H372 | C37 | C38 | N12 | 50.5° | 60.0° |
| H372 | C37 | C38 | O14 | 131.0° | 120.0° |
| C38 | N12 | C45 | C43 | 4.1° | 145.7° |
| C38 | N12 | C45 | C49 | 179.2° | 34.5° |
| C38 | N12 | C45 | HA | 180.0° | 180.0° |
| O14 | C38 | N12 | C45 | 35.3° | 5.2° |
| O14 | C38 | N12 | HA | 144.7° | 174.8° |
| C40 | C43 | C45 | H43 | 180.0° | 180.0° |
| C43 | C40 | C47 | H40 | 180.0° | 180.0° |
| C40 | C43 | C45 | C49 | 0.8° | 0.2° |
| C40 | C43 | C45 | N12 | 175.9° | 180.0° |
| C43 | C40 | C47 | C48 | 1.3° | 0.0° |
| C43 | C40 | C47 | CL50 | 175.5° | 180.0° |
| C45 | C43 | C40 | C47 | 0.1° | 0.0° |
| C45 | C43 | C40 | H40 | 179.9° | 180.0° |
| C43 | C45 | C49 | N12 | 176.9° | 179.8° |
| C43 | C45 | C49 | C48 | 0.5° | 0.5° |
| C43 | C45 | C49 | H49 | 179.6° | 180.0° |
| C43 | C45 | N12 | HA | 175.9° | 34.3° |
| H43 | C43 | C40 | C47 | 179.9° | 180.0° |
| H43 | C43 | C40 | H40 | 0.1° | 0.0° |
| H43 | C43 | C45 | C49 | 179.2° | 179.8° |
| H43 | C43 | C45 | N12 | 4.1° | 0.0° |
| C40 | C47 | C48 | CL50 | 176.8° | 180.0° |
| C40 | C47 | C48 | C49 | 1.6° | 0.2° |
| C40 | C47 | C48 | H48 | 178.4° | 180.0° |
| H40 | C40 | C47 | C48 | 178.6° | 180.0° |
| H40 | C40 | C47 | CL50 | 4.5° | 0.0° |
| C45 | C49 | C48 | C47 | 0.8° | 0.5° |
| C45 | C49 | C48 | H49 | 180.0° | 179.6° |
| C45 | C49 | C48 | H48 | 179.2° | 179.7° |
| C49 | C45 | N12 | HA | 0.8° | 145.5° |
| N12 | C45 | C49 | C48 | 176.4° | 179.8° |
| N12 | C45 | C49 | H49 | 3.6° | 0.2° |
| C47 | C48 | C49 | H48 | 180.0° | 179.8° |
| C47 | C48 | C49 | H49 | 179.2° | 180.0° |
| CL50 | C47 | C48 | C49 | 175.1° | 179.7° |
| CL50 | C47 | C48 | H48 | 4.9° | 0.1° |
| H48 | C48 | C49 | H49 | 0.8° | 0.2° |
