IIA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.48Å | 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 | 1.49Å | Aromatic |
| C3 | N7 | sing | 1.37Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.46Å | Aromatic |
| C4 | C9 | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.47Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N7 | C8 | sing | 1.38Å | 1.33Å | Aromatic |
| N7 | C37 | sing | 1.47Å | 1.48Å | |
| C8 | C9 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | C10 | sing | 1.47Å | 1.37Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | N11 | sing | 1.35Å | 1.32Å | |
| C10 | O56 | doub | 1.22Å | 1.23Å | |
| N11 | C12 | sing | 1.46Å | 1.41Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C17 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | N15 | sing | 1.47Å | 1.51Å | |
| 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 | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| 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 | 1.52Å | |
| C27 | C32 | sing | 1.53Å | 1.51Å | |
| 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 | N41 | doub | 1.30Å | 1.34Å | Aromatic |
| C38 | C44 | sing | 1.41Å | 1.46Å | Aromatic |
| N41 | O42 | sing | 1.21Å | 1.40Å | Aromatic |
| O42 | C43 | sing | 1.35Å | 1.36Å | Aromatic |
| C43 | C44 | doub | 1.37Å | 1.44Å | Aromatic |
| C43 | C45 | sing | 1.47Å | 1.45Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | S46 | sing | 1.79Å | 1.72Å | Aromatic |
| C45 | C49 | doub | 1.38Å | 1.35Å | Aromatic |
| S46 | C47 | sing | 1.78Å | 1.77Å | Aromatic |
| C47 | C48 | doub | 1.36Å | 1.34Å | Aromatic |
| C47 | CL50 | sing | 1.74Å | 1.69Å | |
| C48 | C49 | sing | 1.37Å | 1.46Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.3° | 120.6° |
| C2 | C1 | H1 | 120.8° | 119.7° |
| C1 | C2 | C3 | 122.7° | 119.8° |
| C1 | C2 | H2 | 118.6° | 120.1° |
| C6 | C1 | H1 | 120.9° | 119.7° |
| C1 | C6 | C5 | 120.6° | 120.7° |
| C1 | C6 | H6 | 119.7° | 119.7° |
| C3 | C2 | H2 | 118.6° | 120.1° |
| C2 | C3 | C4 | 116.8° | 119.4° |
| C2 | C3 | N7 | 137.9° | 133.2° |
| C4 | C3 | N7 | 105.3° | 107.4° |
| C3 | C4 | C5 | 120.8° | 119.6° |
| C3 | C4 | C9 | 107.7° | 106.9° |
| C3 | N7 | C8 | 107.2° | 108.8° |
| C3 | N7 | C37 | 135.3° | 125.6° |
| C5 | C4 | C9 | 131.5° | 133.4° |
| C4 | C5 | C6 | 120.7° | 119.8° |
| C4 | C5 | H5 | 119.7° | 120.1° |
| C4 | C9 | C8 | 105.7° | 107.7° |
| C4 | C9 | H9 | 127.2° | 126.1° |
| C6 | C5 | H5 | 119.7° | 120.1° |
| C5 | C6 | H6 | 119.7° | 119.7° |
| C8 | N7 | C37 | 117.5° | 125.6° |
| N7 | C8 | C9 | 114.1° | 109.1° |
| N7 | C8 | C10 | 126.7° | 125.5° |
| N7 | C37 | C38 | 115.3° | 109.5° |
| N7 | C37 | H371 | 106.2° | 109.5° |
| N7 | C37 | H372 | 107.5° | 109.4° |
| C9 | C8 | C10 | 118.6° | 125.4° |
| C8 | C9 | H9 | 127.2° | 126.2° |
| C8 | C10 | N11 | 110.8° | 120.0° |
| C8 | C10 | O56 | 124.1° | 120.0° |
| N11 | C10 | O56 | 125.1° | 120.0° |
| C10 | N11 | C12 | 114.5° | 120.0° |
| C10 | N11 | H11 | 122.8° | 120.0° |
| C12 | N11 | H11 | 122.8° | 120.1° |
| N11 | C12 | C13 | 108.4° | 109.6° |
| N11 | C12 | C17 | 110.8° | 109.5° |
| N11 | C12 | H12 | 109.0° | 109.6° |
| C13 | C12 | C17 | 108.5° | 109.0° |
| C13 | C12 | H12 | 111.3° | 109.6° |
| C12 | C13 | C14 | 112.8° | 109.2° |
| C12 | C13 | H131 | 107.6° | 109.5° |
| C12 | C13 | H132 | 108.4° | 109.5° |
| C17 | C12 | H12 | 108.9° | 109.5° |
| C12 | C17 | C16 | 112.7° | 109.2° |
| C12 | C17 | H171 | 107.7° | 109.5° |
| C12 | C17 | H172 | 108.4° | 109.6° |
| C14 | C13 | H131 | 107.7° | 109.5° |
| C14 | C13 | H132 | 108.4° | 109.5° |
| C13 | C14 | N15 | 108.1° | 109.8° |
| C13 | C14 | H141 | 110.2° | 109.4° |
| C13 | C14 | H142 | 109.9° | 109.5° |
| H131 | C13 | H132 | 112.0° | 109.6° |
| N15 | C14 | H141 | 110.2° | 109.4° |
| N15 | C14 | H142 | 109.9° | 109.4° |
| C14 | N15 | C16 | 114.2° | 107.3° |
| C14 | N15 | C27 | 111.3° | 106.7° |
| H141 | C14 | H142 | 108.4° | 109.4° |
| C16 | N15 | C27 | 111.9° | 106.7° |
| N15 | C16 | C17 | 107.9° | 109.8° |
| N15 | C16 | H161 | 110.3° | 109.4° |
| N15 | C16 | H162 | 110.0° | 109.4° |
| N15 | C27 | C28 | 112.3° | 109.5° |
| N15 | C27 | C32 | 108.4° | 109.4° |
| N15 | C27 | H27 | 108.3° | 109.5° |
| C17 | C16 | H161 | 110.3° | 109.4° |
| C17 | C16 | H162 | 110.0° | 109.4° |
| C16 | C17 | H171 | 107.7° | 109.5° |
| C16 | C17 | H172 | 108.4° | 109.5° |
| H161 | C16 | H162 | 108.3° | 109.3° |
| H171 | C17 | H172 | 112.0° | 109.6° |
| C28 | C27 | C32 | 109.2° | 109.5° |
| C28 | C27 | H27 | 107.4° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.4° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C32 | C27 | H27 | 111.3° | 109.4° |
| 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 | 109.4° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.4° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| C38 | C37 | H371 | 106.2° | 109.5° |
| C38 | C37 | H372 | 107.6° | 109.4° |
| C37 | C38 | N41 | 120.6° | 126.7° |
| C37 | C38 | C44 | 125.5° | 126.6° |
| H371 | C37 | H372 | 114.2° | 109.5° |
| N41 | C38 | C44 | 113.9° | 106.7° |
| C38 | N41 | O42 | 106.8° | 112.0° |
| C38 | C44 | C43 | 98.6° | 103.8° |
| C38 | C44 | H44 | 130.7° | 128.1° |
| N41 | O42 | C43 | 107.5° | 111.4° |
| O42 | C43 | C44 | 112.7° | 106.1° |
| O42 | C43 | C45 | 122.1° | 127.0° |
| C44 | C43 | C45 | 124.9° | 126.9° |
| C43 | C44 | H44 | 130.7° | 128.1° |
| C43 | C45 | S46 | 110.6° | 129.1° |
| C43 | C45 | C49 | 135.2° | 129.1° |
| S46 | C45 | C49 | 114.1° | 101.8° |
| C45 | S46 | C47 | 88.9° | 98.2° |
| C45 | C49 | C48 | 112.5° | 118.4° |
| C45 | C49 | H49 | 123.8° | 120.8° |
| S46 | C47 | C48 | 114.3° | 102.2° |
| S46 | C47 | CL50 | 117.3° | 128.9° |
| C48 | C47 | CL50 | 128.4° | 128.9° |
| C47 | C48 | C49 | 110.1° | 119.3° |
| C47 | C48 | H48 | 125.0° | 120.3° |
| C49 | C48 | H48 | 125.0° | 120.4° |
| C48 | C49 | H49 | 123.8° | 120.8° |
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° | 179.9° |
| C1 | C2 | C3 | C4 | 0.8° | 0.2° |
| C1 | C2 | C3 | N7 | 179.2° | 179.6° |
| C2 | C1 | C6 | C5 | 0.4° | 0.1° |
| C2 | C1 | C6 | H6 | 179.6° | 179.9° |
| C6 | C1 | C2 | C3 | 0.8° | 0.2° |
| C6 | C1 | C2 | H2 | 179.2° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| H1 | C1 | C2 | C3 | 179.2° | 180.0° |
| H1 | C1 | C2 | H2 | 0.8° | 0.1° |
| H1 | C1 | C6 | C5 | 179.6° | 180.0° |
| H1 | C1 | C6 | H6 | 0.4° | 0.0° |
| C2 | C3 | C4 | N7 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C2 | C3 | C4 | C9 | 179.3° | 180.0° |
| C2 | C3 | N7 | C8 | 178.4° | 179.9° |
| C2 | C3 | N7 | C37 | 2.5° | 0.0° |
| H2 | C2 | C3 | C4 | 179.3° | 179.9° |
| H2 | C2 | C3 | N7 | 0.8° | 0.3° |
| C3 | C4 | C5 | C9 | 179.6° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | N7 | C8 | 1.6° | 0.3° |
| C4 | C3 | N7 | C37 | 177.4° | 179.8° |
| C3 | C4 | C9 | C8 | 0.4° | 0.0° |
| C3 | C4 | C9 | H9 | 179.6° | 180.0° |
| N7 | C3 | C4 | C5 | 179.6° | 179.7° |
| N7 | C3 | C4 | C9 | 0.7° | 0.2° |
| C3 | N7 | C8 | C37 | 179.3° | 179.9° |
| C3 | N7 | C8 | C9 | 2.0° | 0.4° |
| C3 | N7 | C8 | C10 | 169.0° | 179.9° |
| C3 | N7 | C37 | C38 | 88.3° | 93.4° |
| C3 | N7 | C37 | H371 | 29.0° | 146.6° |
| C3 | N7 | C37 | H372 | 151.7° | 26.5° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C5 | C4 | C9 | C8 | 179.2° | 179.9° |
| C5 | C4 | C9 | H9 | 0.8° | 0.1° |
| C9 | C4 | C5 | C6 | 179.6° | 180.0° |
| C9 | C4 | C5 | H5 | 0.4° | 0.2° |
| C4 | C9 | C8 | N7 | 1.6° | 0.2° |
| C4 | C9 | C8 | H9 | 180.0° | 180.0° |
| C4 | C9 | C8 | C10 | 170.3° | 180.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
| N7 | C8 | C9 | C10 | 171.8° | 179.8° |
| N7 | C8 | C9 | H9 | 178.4° | 179.8° |
| N7 | C8 | C10 | N11 | 155.6° | 175.0° |
| N7 | C8 | C10 | O56 | 25.0° | 5.0° |
| C8 | N7 | C37 | C38 | 92.7° | 86.7° |
| C8 | N7 | C37 | H371 | 150.0° | 33.3° |
| C8 | N7 | C37 | H372 | 27.3° | 153.3° |
| C37 | N7 | C8 | C9 | 177.2° | 179.8° |
| C37 | N7 | C8 | C10 | 11.7° | 0.0° |
| N7 | C37 | C38 | H371 | 117.3° | 120.0° |
| N7 | C37 | C38 | H372 | 120.0° | 119.9° |
| N7 | C37 | H371 | H372 | 118.4° | 120.0° |
| N7 | C37 | C38 | N41 | 171.6° | 55.2° |
| N7 | C37 | C38 | C44 | 9.2° | 125.0° |
| C9 | C8 | C10 | N11 | 33.7° | 4.7° |
| C9 | C8 | C10 | O56 | 145.7° | 175.3° |
| C10 | C8 | C9 | H9 | 9.7° | 0.0° |
| C8 | C10 | N11 | O56 | 179.4° | 180.0° |
| C8 | C10 | N11 | C12 | 159.9° | 175.2° |
| C8 | C10 | N11 | H11 | 20.1° | 4.8° |
| C10 | N11 | C12 | H11 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 151.8° | 85.5° |
| C10 | N11 | C12 | C17 | 89.3° | 155.0° |
| C10 | N11 | C12 | H12 | 30.6° | 34.8° |
| O56 | C10 | N11 | C12 | 19.5° | 4.8° |
| O56 | C10 | N11 | H11 | 160.5° | 175.2° |
| N11 | C12 | C13 | C17 | 120.3° | 119.8° |
| N11 | C12 | C13 | H12 | 119.9° | 120.3° |
| N11 | C12 | C17 | H12 | 119.9° | 120.2° |
| N11 | C12 | C13 | C14 | 176.4° | 175.4° |
| N11 | C12 | C13 | H131 | 57.8° | 55.5° |
| N11 | C12 | C13 | H132 | 63.6° | 64.7° |
| N11 | C12 | C17 | C16 | 175.3° | 175.4° |
| N11 | C12 | C17 | H171 | 66.1° | 55.6° |
| N11 | C12 | C17 | H172 | 55.3° | 64.6° |
| H11 | N11 | C12 | C13 | 28.2° | 94.5° |
| H11 | N11 | C12 | C17 | 90.7° | 25.0° |
| H11 | N11 | C12 | H12 | 149.4° | 145.2° |
| C13 | C12 | C17 | H12 | 121.3° | 119.9° |
| C12 | C13 | C14 | H131 | 118.6° | 119.9° |
| C12 | C13 | C14 | H132 | 120.0° | 119.9° |
| C12 | C13 | H131 | H132 | 119.1° | 120.2° |
| C12 | C13 | C14 | N15 | 56.1° | 61.4° |
| C12 | C13 | C14 | H141 | 176.6° | 58.7° |
| C12 | C13 | C14 | H142 | 63.9° | 178.5° |
| C13 | C12 | C17 | C16 | 56.5° | 55.6° |
| C13 | C12 | C17 | H171 | 175.1° | 64.3° |
| C13 | C12 | C17 | H172 | 63.5° | 175.5° |
| C17 | C12 | C13 | C14 | 56.1° | 55.6° |
| C17 | C12 | C13 | H131 | 62.5° | 64.3° |
| C17 | C12 | C13 | H132 | 176.1° | 175.5° |
| C12 | C17 | C16 | N15 | 57.0° | 61.4° |
| C12 | C17 | C16 | H171 | 118.6° | 119.9° |
| C12 | C17 | C16 | H172 | 120.0° | 119.9° |
| C12 | C17 | C16 | H161 | 177.6° | 178.5° |
| C12 | C17 | C16 | H162 | 63.0° | 58.7° |
| C12 | C17 | H171 | H172 | 119.1° | 120.2° |
| H12 | C12 | C13 | C14 | 63.7° | 64.3° |
| H12 | C12 | C13 | H131 | 177.7° | 175.8° |
| H12 | C12 | C13 | H132 | 56.3° | 55.6° |
| H12 | C12 | C17 | C16 | 64.8° | 64.3° |
| H12 | C12 | C17 | H171 | 53.8° | 175.8° |
| H12 | C12 | C17 | H172 | 175.3° | 55.6° |
| C14 | C13 | H131 | H132 | 119.1° | 120.1° |
| C13 | C14 | N15 | H141 | 120.6° | 120.1° |
| C13 | C14 | N15 | H142 | 120.0° | 120.2° |
| C13 | C14 | H141 | H142 | 120.4° | 119.9° |
| C13 | C14 | N15 | C16 | 57.9° | 65.6° |
| C13 | C14 | N15 | C27 | 174.3° | 179.6° |
| H131 | C13 | C14 | N15 | 62.5° | 58.6° |
| H131 | C13 | C14 | H141 | 58.1° | 178.6° |
| H131 | C13 | C14 | H142 | 177.5° | 61.6° |
| H132 | C13 | C14 | N15 | 176.1° | 178.7° |
| H132 | C13 | C14 | H141 | 63.3° | 61.3° |
| H132 | C13 | C14 | H142 | 56.1° | 58.6° |
| N15 | C14 | H141 | H142 | 120.4° | 119.8° |
| C14 | N15 | C16 | C27 | 127.6° | 114.1° |
| C14 | N15 | C16 | C17 | 58.2° | 65.6° |
| C14 | N15 | C16 | H161 | 178.8° | 174.3° |
| C14 | N15 | C16 | H162 | 61.8° | 54.5° |
| C14 | N15 | C27 | C28 | 173.8° | 174.0° |
| C14 | N15 | C27 | C32 | 65.5° | 66.0° |
| C14 | N15 | C27 | H27 | 55.4° | 54.0° |
| H141 | C14 | N15 | C16 | 178.4° | 54.5° |
| H141 | C14 | N15 | C27 | 53.7° | 59.6° |
| H142 | C14 | N15 | C16 | 62.1° | 174.3° |
| H142 | C14 | N15 | C27 | 65.8° | 60.2° |
| N15 | C16 | C17 | H161 | 120.6° | 120.1° |
| N15 | C16 | C17 | H162 | 120.0° | 120.1° |
| N15 | C16 | H161 | H162 | 120.4° | 119.8° |
| N15 | C16 | C17 | H171 | 175.6° | 58.5° |
| N15 | C16 | C17 | H172 | 63.0° | 178.7° |
| C16 | N15 | C27 | C28 | 44.7° | 59.6° |
| C16 | N15 | C27 | C32 | 165.4° | 179.5° |
| C16 | N15 | C27 | H27 | 73.7° | 60.5° |
| C27 | N15 | C16 | C17 | 174.2° | 179.7° |
| C27 | N15 | C16 | H161 | 53.6° | 60.2° |
| C27 | N15 | C16 | H162 | 65.8° | 59.6° |
| N15 | C27 | C28 | C32 | 120.2° | 120.0° |
| N15 | C27 | C28 | H27 | 118.9° | 120.1° |
| N15 | C27 | C32 | H27 | 119.0° | 120.0° |
| N15 | C27 | C28 | H281 | 168.4° | 180.0° |
| N15 | C27 | C28 | H282 | 48.4° | 60.0° |
| N15 | C27 | C28 | H283 | 71.6° | 60.0° |
| N15 | C27 | C32 | H321 | 15.5° | 54.5° |
| N15 | C27 | C32 | H322 | 135.6° | 65.5° |
| N15 | C27 | C32 | H323 | 104.4° | 174.5° |
| C17 | C16 | H161 | H162 | 120.4° | 119.9° |
| C16 | C17 | H171 | H172 | 119.1° | 120.1° |
| H161 | C16 | C17 | H171 | 63.8° | 61.6° |
| H161 | C16 | C17 | H172 | 57.6° | 58.6° |
| H162 | C16 | C17 | H171 | 55.6° | 178.6° |
| H162 | C16 | C17 | H172 | 177.0° | 61.2° |
| C28 | C27 | C32 | H27 | 118.4° | 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 | 138.1° | 65.5° |
| C28 | C27 | C32 | H322 | 101.9° | 174.5° |
| C28 | C27 | C32 | H323 | 18.2° | 54.5° |
| C32 | C27 | C28 | H281 | 71.3° | 60.0° |
| C32 | C27 | C28 | H282 | 168.6° | 180.0° |
| C32 | C27 | C28 | H283 | 48.6° | 60.0° |
| 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 | 49.5° | 60.0° |
| H27 | C27 | C28 | H282 | 70.5° | 60.1° |
| H27 | C27 | C28 | H283 | 169.5° | 180.0° |
| H27 | C27 | C32 | H321 | 103.5° | 174.5° |
| H27 | C27 | C32 | H322 | 16.6° | 54.5° |
| H27 | C27 | C32 | H323 | 136.6° | 65.6° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
| C38 | C37 | H371 | H372 | 118.4° | 120.0° |
| C37 | C38 | N41 | C44 | 179.3° | 179.9° |
| C37 | C38 | N41 | O42 | 174.8° | 179.8° |
| C37 | C38 | C44 | C43 | 173.1° | 180.0° |
| C37 | C38 | C44 | H44 | 6.9° | 0.1° |
| H371 | C37 | C38 | N41 | 71.1° | 175.2° |
| H371 | C37 | C38 | C44 | 108.2° | 5.0° |
| H372 | C37 | C38 | N41 | 51.6° | 64.7° |
| H372 | C37 | C38 | C44 | 129.2° | 115.1° |
| C38 | N41 | O42 | C43 | 1.1° | 0.4° |
| N41 | C38 | C44 | C43 | 7.7° | 0.1° |
| N41 | C38 | C44 | H44 | 172.3° | 179.8° |
| C44 | C38 | N41 | O42 | 5.9° | 0.4° |
| C38 | C44 | C43 | O42 | 6.8° | 0.1° |
| C38 | C44 | C43 | H44 | 180.0° | 179.9° |
| C38 | C44 | C43 | C45 | 166.7° | 180.0° |
| N41 | O42 | C43 | C44 | 4.0° | 0.3° |
| N41 | O42 | C43 | C45 | 169.7° | 179.8° |
| O42 | C43 | C44 | C45 | 173.5° | 179.9° |
| O42 | C43 | C44 | H44 | 173.2° | 180.0° |
| O42 | C43 | C45 | S46 | 15.6° | 179.9° |
| O42 | C43 | C45 | C49 | 168.5° | 0.4° |
| C44 | C43 | C45 | S46 | 157.4° | 0.1° |
| C44 | C43 | C45 | C49 | 18.5° | 179.8° |
| C45 | C43 | C44 | H44 | 13.3° | 0.1° |
| C43 | C45 | S46 | C49 | 176.8° | 179.8° |
| C43 | C45 | S46 | C47 | 179.7° | 180.0° |
| C43 | C45 | C49 | C48 | 179.1° | 179.8° |
| C43 | C45 | C49 | H49 | 0.9° | 0.3° |
| C45 | S46 | C47 | C48 | 1.8° | 0.0° |
| C45 | S46 | C47 | CL50 | 179.8° | 179.9° |
| S46 | C45 | C49 | C48 | 3.3° | 0.5° |
| S46 | C45 | C49 | H49 | 176.6° | 180.0° |
| C49 | C45 | S46 | C47 | 2.9° | 0.2° |
| C45 | C49 | C48 | C47 | 1.9° | 0.6° |
| C45 | C49 | C48 | H49 | 180.0° | 179.5° |
| C45 | C49 | C48 | H48 | 178.1° | 179.7° |
| S46 | C47 | C48 | CL50 | 177.8° | 180.0° |
| S46 | C47 | C48 | C49 | 0.3° | 0.3° |
| S46 | C47 | C48 | H48 | 179.7° | 180.0° |
| C47 | C48 | C49 | H48 | 180.0° | 179.7° |
| C47 | C48 | C49 | H49 | 178.1° | 179.9° |
| CL50 | C47 | C48 | C49 | 178.1° | 179.7° |
| CL50 | C47 | C48 | H48 | 1.9° | 0.0° |
| H48 | C48 | C49 | H49 | 1.9° | 0.2° |
