4ZX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C50 | N58 | sing | 1.47Å | 1.45Å | |
| C50 | C47 | sing | 1.53Å | 1.53Å | |
| C50 | C52 | sing | 1.53Å | 1.54Å | |
| C44 | C47 | sing | 1.53Å | 1.52Å | |
| C44 | N43 | sing | 1.47Å | 1.48Å | |
| O18 | C17 | doub | 1.22Å | 1.22Å | |
| N58 | C60 | sing | 1.47Å | 1.46Å | |
| C70 | C68 | doub | 1.38Å | 1.40Å | Aromatic |
| C70 | C72 | sing | 1.38Å | 1.40Å | Aromatic |
| C68 | C66 | sing | 1.38Å | 1.40Å | Aromatic |
| C55 | C52 | sing | 1.53Å | 1.52Å | |
| C55 | N43 | sing | 1.47Å | 1.47Å | |
| C23 | C21 | sing | 1.53Å | 1.56Å | |
| C23 | C26 | sing | 1.54Å | 1.54Å | |
| C72 | C63 | doub | 1.38Å | 1.41Å | Aromatic |
| N43 | S40 | sing | 1.66Å | 1.67Å | |
| C66 | C64 | doub | 1.38Å | 1.40Å | Aromatic |
| C63 | C64 | sing | 1.38Å | 1.41Å | Aromatic |
| C63 | C60 | sing | 1.51Å | 1.50Å | |
| C14 | C06 | doub | 1.37Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.49Å | |
| C07 | C10 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | sing | 1.47Å | 1.48Å | |
| C17 | N19 | sing | 1.35Å | 1.36Å | |
| C21 | N19 | sing | 1.47Å | 1.47Å | |
| C21 | C36 | sing | 1.53Å | 1.54Å | |
| C26 | N39 | sing | 1.48Å | 1.47Å | |
| C26 | C28 | sing | 1.55Å | 1.52Å | |
| C06 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C02 | doub | 1.40Å | 1.42Å | Aromatic |
| N39 | S40 | sing | 1.66Å | 1.66Å | |
| N39 | C34 | sing | 1.48Å | 1.46Å | |
| C10 | O11 | doub | 1.21Å | 1.21Å | |
| C10 | N12 | sing | 1.34Å | 1.38Å | |
| S40 | O41 | doub | 1.42Å | 1.45Å | |
| S40 | O42 | doub | 1.42Å | 1.46Å | |
| C36 | C34 | sing | 1.54Å | 1.54Å | |
| C28 | C31 | sing | 1.54Å | 1.53Å | |
| C05 | N12 | sing | 1.39Å | 1.37Å | |
| C05 | C03 | doub | 1.40Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | CL1 | sing | 1.74Å | 1.73Å | |
| C34 | C31 | sing | 1.55Å | 1.53Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| N12 | H4 | sing | 0.97Å | 1.00Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| N19 | H6 | sing | 0.97Å | 1.00Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C44 | H18 | sing | 1.09Å | 1.10Å | |
| C44 | H19 | sing | 1.09Å | 1.10Å | |
| C47 | H20 | sing | 1.09Å | 1.10Å | |
| C47 | H21 | sing | 1.09Å | 1.10Å | |
| C50 | H22 | sing | 1.09Å | 1.10Å | |
| C52 | H23 | sing | 1.09Å | 1.10Å | |
| C52 | H24 | sing | 1.09Å | 1.10Å | |
| C55 | H25 | sing | 1.09Å | 1.10Å | |
| C55 | H26 | sing | 1.09Å | 1.10Å | |
| N58 | H27 | sing | 1.01Å | 1.00Å | |
| C60 | H29 | sing | 1.09Å | 1.10Å | |
| C60 | H30 | sing | 1.09Å | 1.10Å | |
| C64 | H31 | sing | 1.08Å | 1.08Å | |
| C66 | H32 | sing | 1.08Å | 1.08Å | |
| C68 | H33 | sing | 1.08Å | 1.08Å | |
| C70 | H34 | sing | 1.08Å | 1.08Å | |
| C72 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N58 | C50 | C47 | 110.8° | 109.5° |
| N58 | C50 | C52 | 113.3° | 109.5° |
| C50 | N58 | C60 | 123.2° | 111.0° |
| N58 | C50 | H22 | 106.3° | 109.4° |
| C50 | N58 | H27 | 106.0° | 111.0° |
| C47 | C50 | C52 | 114.8° | 109.6° |
| C50 | C47 | C44 | 109.8° | 109.3° |
| C50 | C47 | H20 | 109.4° | 109.5° |
| C50 | C47 | H21 | 109.4° | 109.5° |
| C47 | C50 | H22 | 105.4° | 109.5° |
| C50 | C52 | C55 | 112.4° | 109.4° |
| C52 | C50 | H22 | 105.3° | 109.5° |
| C50 | C52 | H23 | 108.8° | 109.5° |
| C50 | C52 | H24 | 108.7° | 109.5° |
| C47 | C44 | N43 | 109.4° | 108.8° |
| C47 | C44 | H18 | 109.5° | 109.5° |
| C47 | C44 | H19 | 109.5° | 109.6° |
| C44 | C47 | H20 | 109.4° | 109.5° |
| C44 | C47 | H21 | 109.4° | 109.5° |
| C44 | N43 | C55 | 116.4° | 118.8° |
| C44 | N43 | S40 | 117.1° | 120.6° |
| N43 | C44 | H18 | 109.5° | 109.6° |
| N43 | C44 | H19 | 109.5° | 109.6° |
| O18 | C17 | C16 | 118.2° | 120.1° |
| O18 | C17 | N19 | 116.6° | 120.0° |
| N58 | C60 | C63 | 107.2° | 109.5° |
| C60 | N58 | H27 | 105.9° | 111.0° |
| N58 | C60 | H29 | 110.0° | 109.5° |
| N58 | C60 | H30 | 110.0° | 109.5° |
| C68 | C70 | C72 | 119.6° | 120.0° |
| C70 | C68 | C66 | 120.4° | 120.0° |
| C70 | C68 | H33 | 119.8° | 120.0° |
| C68 | C70 | H34 | 120.2° | 120.0° |
| C70 | C72 | C63 | 120.2° | 120.0° |
| C72 | C70 | H34 | 120.2° | 120.0° |
| C70 | C72 | H35 | 119.9° | 120.0° |
| C68 | C66 | C64 | 120.3° | 120.0° |
| C68 | C66 | H32 | 119.8° | 120.0° |
| C66 | C68 | H33 | 119.8° | 120.0° |
| C52 | C55 | N43 | 109.0° | 109.0° |
| C55 | C52 | H23 | 108.7° | 109.6° |
| C55 | C52 | H24 | 108.7° | 109.4° |
| C52 | C55 | H25 | 109.6° | 109.5° |
| C52 | C55 | H26 | 109.6° | 109.6° |
| C55 | N43 | S40 | 118.3° | 120.6° |
| N43 | C55 | H25 | 109.6° | 109.7° |
| N43 | C55 | H26 | 109.6° | 109.3° |
| C21 | C23 | C26 | 115.3° | 108.9° |
| C23 | C21 | N19 | 111.1° | 109.4° |
| C23 | C21 | C36 | 113.4° | 109.7° |
| C23 | C21 | H7 | 106.7° | 109.5° |
| C21 | C23 | H8 | 108.0° | 109.5° |
| C21 | C23 | H9 | 108.0° | 109.5° |
| C23 | C26 | N39 | 105.6° | 107.3° |
| C23 | C26 | C28 | 113.5° | 107.8° |
| C26 | C23 | H8 | 108.0° | 109.6° |
| C26 | C23 | H9 | 108.0° | 109.6° |
| C23 | C26 | H10 | 111.2° | 112.1° |
| C72 | C63 | C64 | 119.8° | 120.0° |
| C72 | C63 | C60 | 120.1° | 120.0° |
| C63 | C72 | H35 | 119.9° | 120.0° |
| N43 | S40 | N39 | 101.5° | 107.2° |
| N43 | S40 | O41 | 107.5° | 106.4° |
| N43 | S40 | O42 | 112.0° | 106.4° |
| C66 | C64 | C63 | 119.6° | 120.0° |
| C66 | C64 | H31 | 120.2° | 120.0° |
| C64 | C66 | H32 | 119.9° | 120.0° |
| C64 | C63 | C60 | 120.1° | 120.0° |
| C63 | C64 | H31 | 120.2° | 120.0° |
| C63 | C60 | H29 | 110.0° | 109.5° |
| C63 | C60 | H30 | 110.0° | 109.4° |
| C06 | C14 | C16 | 119.0° | 119.8° |
| C14 | C06 | C07 | 130.6° | 132.7° |
| C14 | C06 | C05 | 120.3° | 121.0° |
| C06 | C14 | H5 | 120.5° | 120.1° |
| C14 | C16 | C17 | 115.8° | 120.3° |
| C14 | C16 | C02 | 119.7° | 119.5° |
| C16 | C14 | H5 | 120.5° | 120.1° |
| C06 | C07 | C10 | 102.0° | 104.0° |
| C07 | C06 | C05 | 109.1° | 106.3° |
| C06 | C07 | H2 | 111.3° | 110.5° |
| C06 | C07 | H3 | 111.3° | 110.5° |
| C07 | C10 | O11 | 126.3° | 126.5° |
| C07 | C10 | N12 | 107.9° | 107.2° |
| C10 | C07 | H2 | 111.3° | 110.5° |
| C10 | C07 | H3 | 111.3° | 110.5° |
| C16 | C17 | N19 | 125.1° | 120.0° |
| C17 | C16 | C02 | 124.4° | 120.2° |
| C17 | N19 | C21 | 126.5° | 120.0° |
| C17 | N19 | H6 | 116.7° | 120.0° |
| N19 | C21 | C36 | 110.7° | 109.4° |
| C21 | N19 | H6 | 116.8° | 120.0° |
| N19 | C21 | H7 | 107.7° | 109.4° |
| C21 | C36 | C34 | 111.9° | 108.9° |
| C36 | C21 | H7 | 106.8° | 109.4° |
| C21 | C36 | H16 | 108.9° | 109.6° |
| C21 | C36 | H17 | 108.8° | 109.6° |
| N39 | C26 | C28 | 102.5° | 104.3° |
| C26 | N39 | S40 | 120.7° | 128.2° |
| C26 | N39 | C34 | 105.6° | 103.6° |
| N39 | C26 | H10 | 112.2° | 112.2° |
| C26 | C28 | C31 | 103.9° | 104.7° |
| C28 | C26 | H10 | 111.5° | 112.7° |
| C26 | C28 | H11 | 110.9° | 110.4° |
| C26 | C28 | H12 | 110.8° | 110.4° |
| C06 | C05 | N12 | 110.2° | 110.2° |
| C06 | C05 | C03 | 122.4° | 119.2° |
| C16 | C02 | C03 | 120.2° | 120.2° |
| C16 | C02 | CL1 | 125.1° | 119.9° |
| S40 | N39 | C34 | 119.2° | 128.2° |
| N39 | S40 | O41 | 105.5° | 106.4° |
| N39 | S40 | O42 | 102.5° | 106.4° |
| N39 | C34 | C36 | 103.3° | 107.3° |
| N39 | C34 | C31 | 102.5° | 104.2° |
| N39 | C34 | H15 | 112.2° | 112.2° |
| O11 | C10 | N12 | 125.8° | 126.4° |
| C10 | N12 | C05 | 110.8° | 112.3° |
| C10 | N12 | H4 | 124.6° | 123.8° |
| O41 | S40 | O42 | 124.9° | 123.2° |
| C36 | C34 | C31 | 116.2° | 107.8° |
| C36 | C34 | H15 | 111.1° | 112.6° |
| C34 | C36 | H16 | 108.9° | 109.5° |
| C34 | C36 | H17 | 108.9° | 109.5° |
| C28 | C31 | C34 | 106.7° | 104.8° |
| C31 | C28 | H11 | 110.9° | 110.4° |
| C31 | C28 | H12 | 110.9° | 110.4° |
| C28 | C31 | H13 | 110.2° | 110.4° |
| C28 | C31 | H14 | 110.2° | 110.4° |
| N12 | C05 | C03 | 127.4° | 130.6° |
| C05 | N12 | H4 | 124.6° | 123.9° |
| C05 | C03 | C02 | 118.5° | 120.3° |
| C05 | C03 | H1 | 120.7° | 119.9° |
| C03 | C02 | CL1 | 114.7° | 119.9° |
| C02 | C03 | H1 | 120.8° | 119.8° |
| C34 | C31 | H13 | 110.2° | 110.4° |
| C34 | C31 | H14 | 110.2° | 110.5° |
| C31 | C34 | H15 | 111.1° | 112.2° |
| H2 | C07 | H3 | 109.5° | 110.6° |
| H8 | C23 | H9 | 109.5° | 109.6° |
| H11 | C28 | H12 | 109.5° | 110.4° |
| H13 | C31 | H14 | 109.5° | 110.3° |
| H16 | C36 | H17 | 109.5° | 109.6° |
| H18 | C44 | H19 | 109.5° | 109.7° |
| H20 | C47 | H21 | 109.5° | 109.5° |
| H23 | C52 | H24 | 109.5° | 109.4° |
| H25 | C55 | H26 | 109.5° | 109.7° |
| H29 | C60 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N58 | C50 | C47 | C52 | 129.9° | 120.1° |
| N58 | C50 | C47 | H22 | 114.7° | 119.9° |
| N58 | C50 | C52 | H22 | 115.8° | 119.9° |
| N58 | C50 | C47 | C44 | 179.7° | 178.6° |
| C50 | N58 | C60 | H27 | 121.9° | 124.1° |
| N58 | C50 | C52 | C55 | 176.9° | 178.7° |
| C50 | N58 | C60 | C63 | 166.8° | 180.0° |
| N58 | C50 | C47 | H20 | 59.6° | 58.6° |
| N58 | C50 | C47 | H21 | 60.3° | 61.5° |
| N58 | C50 | C52 | H23 | 62.7° | 58.6° |
| N58 | C50 | C52 | H24 | 56.4° | 61.4° |
| C50 | N58 | C60 | H29 | 47.1° | 59.9° |
| C50 | N58 | C60 | H30 | 73.6° | 60.0° |
| C47 | C50 | C52 | H22 | 115.5° | 120.0° |
| C50 | C47 | C44 | H20 | 120.0° | 120.0° |
| C50 | C47 | C44 | H21 | 120.1° | 120.0° |
| C50 | C47 | C44 | N43 | 53.4° | 54.6° |
| C47 | C50 | N58 | C60 | 65.3° | 155.0° |
| C47 | C50 | C52 | C55 | 48.2° | 61.3° |
| C50 | C47 | C44 | H18 | 173.3° | 65.2° |
| C50 | C47 | C44 | H19 | 66.6° | 174.4° |
| C50 | C47 | H20 | H21 | 119.9° | 120.1° |
| C47 | C50 | C52 | H23 | 168.6° | 178.7° |
| C47 | C50 | C52 | H24 | 72.3° | 58.7° |
| C47 | C50 | N58 | H27 | 172.8° | 31.0° |
| C52 | C50 | C47 | C44 | 49.8° | 61.3° |
| C52 | C50 | N58 | C60 | 65.4° | 84.9° |
| C50 | C52 | C55 | H23 | 120.5° | 120.0° |
| C50 | C52 | C55 | H24 | 120.4° | 120.0° |
| C50 | C52 | C55 | N43 | 48.7° | 54.4° |
| C52 | C50 | C47 | H20 | 70.3° | 178.7° |
| C52 | C50 | C47 | H21 | 169.8° | 58.6° |
| C50 | C52 | H23 | H24 | 118.6° | 120.1° |
| C50 | C52 | C55 | H25 | 71.3° | 174.4° |
| C50 | C52 | C55 | H26 | 168.6° | 65.2° |
| C52 | C50 | N58 | H27 | 56.5° | 151.1° |
| C47 | C44 | N43 | H18 | 120.0° | 119.7° |
| C47 | C44 | N43 | H19 | 120.0° | 119.8° |
| C47 | C44 | N43 | C55 | 61.1° | 53.4° |
| C47 | C44 | N43 | S40 | 86.9° | 126.4° |
| C47 | C44 | H18 | H19 | 120.0° | 120.3° |
| C44 | C47 | H20 | H21 | 119.9° | 120.1° |
| C44 | C47 | C50 | H22 | 65.6° | 58.7° |
| C44 | N43 | C55 | C52 | 57.9° | 53.3° |
| C44 | N43 | C55 | S40 | 147.5° | 179.7° |
| C44 | N43 | S40 | N39 | 60.3° | 90.0° |
| C44 | N43 | S40 | O41 | 50.2° | 23.5° |
| C44 | N43 | S40 | O42 | 169.0° | 156.5° |
| N43 | C44 | H18 | H19 | 120.0° | 120.4° |
| N43 | C44 | C47 | H20 | 66.7° | 174.5° |
| N43 | C44 | C47 | H21 | 173.4° | 65.4° |
| C44 | N43 | C55 | H25 | 62.1° | 173.2° |
| C44 | N43 | C55 | H26 | 177.8° | 66.4° |
| O18 | C17 | C16 | C14 | 37.0° | 180.0° |
| O18 | C17 | C16 | N19 | 176.1° | 179.9° |
| O18 | C17 | N19 | C21 | 1.9° | 0.1° |
| O18 | C17 | C16 | C02 | 139.4° | 0.4° |
| O18 | C17 | N19 | H6 | 178.0° | 180.0° |
| N58 | C60 | C63 | C72 | 85.8° | 90.2° |
| N58 | C60 | C63 | C64 | 92.7° | 90.0° |
| N58 | C60 | C63 | H29 | 119.6° | 120.1° |
| N58 | C60 | C63 | H30 | 119.6° | 120.0° |
| C60 | N58 | C50 | H22 | 179.4° | 35.1° |
| N58 | C60 | H29 | H30 | 121.1° | 120.0° |
| C68 | C70 | C72 | H34 | 180.0° | 179.7° |
| C70 | C68 | C66 | H33 | 180.0° | 179.9° |
| C68 | C70 | C72 | C63 | 0.4° | 0.6° |
| C70 | C68 | C66 | C64 | 0.2° | 0.1° |
| C70 | C68 | C66 | H32 | 179.8° | 180.0° |
| C68 | C70 | C72 | H35 | 179.6° | 180.0° |
| C72 | C70 | C68 | C66 | 0.1° | 0.3° |
| C70 | C72 | C63 | H35 | 180.0° | 179.4° |
| C70 | C72 | C63 | C64 | 0.7° | 0.6° |
| C70 | C72 | C63 | C60 | 179.2° | 179.6° |
| C72 | C70 | C68 | H33 | 179.9° | 179.8° |
| C68 | C66 | C64 | H32 | 180.0° | 180.0° |
| C68 | C66 | C64 | C63 | 0.5° | 0.0° |
| C68 | C66 | C64 | H31 | 179.5° | 180.0° |
| C66 | C68 | C70 | H34 | 179.9° | 180.0° |
| C52 | C55 | N43 | H25 | 119.9° | 119.9° |
| C52 | C55 | N43 | H26 | 119.9° | 119.8° |
| C52 | C55 | N43 | S40 | 89.7° | 126.4° |
| C55 | C52 | C50 | H22 | 67.3° | 58.8° |
| C55 | C52 | H23 | H24 | 118.6° | 120.0° |
| C52 | C55 | H25 | H26 | 120.2° | 120.3° |
| C55 | N43 | S40 | N39 | 152.4° | 90.3° |
| C55 | N43 | S40 | O41 | 97.1° | 156.2° |
| C55 | N43 | S40 | O42 | 43.7° | 23.2° |
| C55 | N43 | C44 | H18 | 178.9° | 66.4° |
| C55 | N43 | C44 | H19 | 58.9° | 173.1° |
| N43 | C55 | C52 | H23 | 169.1° | 174.5° |
| N43 | C55 | C52 | H24 | 71.8° | 65.5° |
| N43 | C55 | H25 | H26 | 120.2° | 120.1° |
| C21 | C23 | C26 | H8 | 120.8° | 119.8° |
| C21 | C23 | C26 | H9 | 120.9° | 119.8° |
| C23 | C21 | N19 | C17 | 72.2° | 119.9° |
| C23 | C21 | N19 | C36 | 127.0° | 120.2° |
| C23 | C21 | N19 | H7 | 116.5° | 120.0° |
| C23 | C21 | C36 | H7 | 117.2° | 120.1° |
| C21 | C23 | C26 | N39 | 47.5° | 64.0° |
| C21 | C23 | C26 | C28 | 64.0° | 47.8° |
| C23 | C21 | C36 | C34 | 36.6° | 53.8° |
| C23 | C21 | N19 | H6 | 107.8° | 60.0° |
| C21 | C23 | H8 | H9 | 117.4° | 120.2° |
| C21 | C23 | C26 | H10 | 169.3° | 172.4° |
| C23 | C21 | C36 | H16 | 83.7° | 66.0° |
| C23 | C21 | C36 | H17 | 156.9° | 173.7° |
| C26 | C23 | C21 | N19 | 95.0° | 66.2° |
| C26 | C23 | C21 | C36 | 30.5° | 53.8° |
| C23 | C26 | N39 | C28 | 119.1° | 114.2° |
| C23 | C26 | N39 | H10 | 121.2° | 123.6° |
| C23 | C26 | C28 | H10 | 126.5° | 124.2° |
| C23 | C26 | N39 | S40 | 146.3° | 107.5° |
| C23 | C26 | N39 | C34 | 74.6° | 72.6° |
| C23 | C26 | C28 | C31 | 82.7° | 88.7° |
| C26 | C23 | C21 | H7 | 147.8° | 173.9° |
| C26 | C23 | H8 | H9 | 117.3° | 120.3° |
| C23 | C26 | C28 | H11 | 36.5° | 30.1° |
| C23 | C26 | C28 | H12 | 158.3° | 152.5° |
| C72 | C63 | C64 | C66 | 0.8° | 0.3° |
| C72 | C63 | C64 | C60 | 178.5° | 179.8° |
| C72 | C63 | C60 | H29 | 33.9° | 149.7° |
| C72 | C63 | C60 | H30 | 154.6° | 29.8° |
| C72 | C63 | C64 | H31 | 179.3° | 179.8° |
| C63 | C72 | C70 | H34 | 179.6° | 179.7° |
| N43 | S40 | N39 | C26 | 64.1° | 90.0° |
| N43 | S40 | N39 | O41 | 112.1° | 113.5° |
| N43 | S40 | N39 | O42 | 115.9° | 113.5° |
| N43 | S40 | N39 | C34 | 162.2° | 90.0° |
| N43 | S40 | O41 | O42 | 134.4° | 123.0° |
| S40 | N43 | C44 | H18 | 33.2° | 113.9° |
| S40 | N43 | C44 | H19 | 153.2° | 6.6° |
| S40 | N43 | C55 | H25 | 150.4° | 6.5° |
| S40 | N43 | C55 | H26 | 30.2° | 113.9° |
| C66 | C64 | C63 | H31 | 180.0° | 180.0° |
| C66 | C64 | C63 | C60 | 179.2° | 179.9° |
| C64 | C66 | C68 | H33 | 179.8° | 179.9° |
| C64 | C63 | C60 | H29 | 147.6° | 30.1° |
| C64 | C63 | C60 | H30 | 26.9° | 150.0° |
| C63 | C64 | C66 | H32 | 179.5° | 180.0° |
| C64 | C63 | C72 | H35 | 179.3° | 180.0° |
| C63 | C60 | N58 | H27 | 71.3° | 56.0° |
| C63 | C60 | H29 | H30 | 121.1° | 119.9° |
| C60 | C63 | C64 | H31 | 0.8° | 0.0° |
| C60 | C63 | C72 | H35 | 0.8° | 0.3° |
| C06 | C14 | C16 | H5 | 180.0° | 179.8° |
| C14 | C06 | C07 | C05 | 179.9° | 180.0° |
| C14 | C06 | C07 | C10 | 179.7° | 180.0° |
| C06 | C14 | C16 | C17 | 177.5° | 180.0° |
| C06 | C14 | C16 | C02 | 1.0° | 0.5° |
| C14 | C06 | C05 | N12 | 179.9° | 180.0° |
| C14 | C06 | C05 | C03 | 0.3° | 0.0° |
| C14 | C06 | C07 | H2 | 61.5° | 61.3° |
| C14 | C06 | C07 | H3 | 60.9° | 61.4° |
| C16 | C14 | C06 | C07 | 179.7° | 179.7° |
| C14 | C16 | C17 | C02 | 176.3° | 179.5° |
| C14 | C16 | C17 | N19 | 146.9° | 0.0° |
| C16 | C14 | C06 | C05 | 0.2° | 0.2° |
| C14 | C16 | C02 | C03 | 1.3° | 0.4° |
| C14 | C16 | C02 | CL1 | 179.2° | 179.8° |
| C06 | C07 | C10 | H2 | 118.8° | 118.6° |
| C06 | C07 | C10 | H3 | 118.8° | 118.6° |
| C06 | C07 | C10 | O11 | 179.2° | 180.0° |
| C06 | C07 | C10 | N12 | 0.6° | 0.0° |
| C07 | C06 | C05 | N12 | 0.0° | 0.0° |
| C07 | C06 | C05 | C03 | 179.8° | 180.0° |
| C06 | C07 | H2 | H3 | 123.5° | 122.7° |
| C07 | C06 | C14 | H5 | 0.3° | 0.1° |
| C10 | C07 | C06 | C05 | 0.4° | 0.0° |
| C07 | C10 | O11 | N12 | 179.8° | 180.0° |
| C07 | C10 | N12 | C05 | 0.7° | 0.0° |
| C10 | C07 | H2 | H3 | 123.5° | 122.7° |
| C07 | C10 | N12 | H4 | 179.3° | 180.0° |
| C16 | C17 | N19 | C21 | 178.1° | 180.0° |
| C17 | C16 | C02 | C03 | 177.6° | 180.0° |
| C17 | C16 | C02 | CL1 | 3.0° | 0.2° |
| C17 | C16 | C14 | H5 | 2.5° | 0.2° |
| C16 | C17 | N19 | H6 | 1.8° | 0.1° |
| C17 | N19 | C21 | H6 | 180.0° | 179.9° |
| C17 | N19 | C21 | C36 | 160.8° | 119.9° |
| N19 | C17 | C16 | C02 | 36.8° | 179.5° |
| C17 | N19 | C21 | H7 | 44.3° | 0.1° |
| N19 | C21 | C36 | H7 | 117.1° | 119.8° |
| N19 | C21 | C36 | C34 | 89.1° | 66.2° |
| N19 | C21 | C23 | H8 | 25.8° | 53.7° |
| N19 | C21 | C23 | H9 | 144.1° | 174.0° |
| N19 | C21 | C36 | H16 | 150.6° | 174.0° |
| N19 | C21 | C36 | H17 | 31.2° | 53.6° |
| C21 | C36 | C34 | N39 | 60.7° | 64.0° |
| C21 | C36 | C34 | H16 | 120.3° | 119.8° |
| C21 | C36 | C34 | H17 | 120.3° | 119.9° |
| C21 | C36 | C34 | C31 | 50.6° | 47.8° |
| C36 | C21 | N19 | H6 | 19.2° | 60.2° |
| C36 | C21 | C23 | H8 | 151.3° | 173.7° |
| C36 | C21 | C23 | H9 | 90.4° | 66.0° |
| C21 | C36 | C34 | H15 | 178.9° | 172.1° |
| C21 | C36 | H16 | H17 | 118.9° | 120.3° |
| N39 | C26 | C28 | H10 | 120.1° | 122.0° |
| C26 | N39 | S40 | C34 | 133.7° | 180.0° |
| C26 | N39 | S40 | O41 | 176.2° | 156.5° |
| C26 | N39 | S40 | O42 | 51.8° | 23.5° |
| C26 | N39 | C34 | C36 | 81.9° | 72.5° |
| N39 | C26 | C28 | C31 | 30.7° | 25.1° |
| C26 | N39 | C34 | C31 | 39.1° | 41.6° |
| N39 | C26 | C23 | H8 | 168.3° | 176.2° |
| N39 | C26 | C23 | H9 | 73.4° | 55.8° |
| N39 | C26 | C28 | H11 | 149.8° | 144.0° |
| N39 | C26 | C28 | H12 | 88.4° | 93.7° |
| C26 | N39 | C34 | H15 | 158.4° | 163.2° |
| C28 | C26 | N39 | S40 | 94.6° | 138.4° |
| C28 | C26 | N39 | C34 | 44.5° | 41.6° |
| C26 | C28 | C31 | H11 | 119.1° | 118.8° |
| C26 | C28 | C31 | H12 | 119.1° | 118.8° |
| C26 | C28 | C31 | C34 | 7.5° | 0.0° |
| C28 | C26 | C23 | H8 | 56.8° | 72.1° |
| C28 | C26 | C23 | H9 | 175.1° | 167.6° |
| C26 | C28 | H11 | H12 | 122.6° | 122.3° |
| C26 | C28 | C31 | H13 | 112.1° | 118.8° |
| C26 | C28 | C31 | H14 | 127.1° | 118.9° |
| C06 | C05 | N12 | C10 | 0.4° | 0.0° |
| C06 | C05 | N12 | C03 | 179.8° | 180.0° |
| C06 | C05 | C03 | C02 | 0.0° | 0.0° |
| C06 | C05 | C03 | H1 | 180.0° | 180.0° |
| C05 | C06 | C07 | H2 | 118.4° | 118.6° |
| C05 | C06 | C07 | H3 | 119.2° | 118.7° |
| C06 | C05 | N12 | H4 | 179.5° | 180.0° |
| C05 | C06 | C14 | H5 | 179.8° | 180.0° |
| C16 | C02 | C03 | C05 | 0.8° | 0.2° |
| C16 | C02 | C03 | CL1 | 179.5° | 179.8° |
| C16 | C02 | C03 | H1 | 179.2° | 179.8° |
| C02 | C16 | C14 | H5 | 179.0° | 179.8° |
| N39 | S40 | O41 | O42 | 117.8° | 123.0° |
| S40 | N39 | C34 | C36 | 138.2° | 107.5° |
| S40 | N39 | C34 | C31 | 100.7° | 138.4° |
| S40 | N39 | C26 | H10 | 25.1° | 16.1° |
| S40 | N39 | C34 | H15 | 18.6° | 16.7° |
| C34 | N39 | S40 | O41 | 50.1° | 23.5° |
| C34 | N39 | S40 | O42 | 81.9° | 156.5° |
| N39 | C34 | C36 | C31 | 111.3° | 111.7° |
| N39 | C34 | C36 | H15 | 120.4° | 124.0° |
| N39 | C34 | C31 | C28 | 18.6° | 25.1° |
| N39 | C34 | C31 | H15 | 120.0° | 121.7° |
| C34 | N39 | C26 | H10 | 164.2° | 163.9° |
| N39 | C34 | C31 | H13 | 138.2° | 144.0° |
| N39 | C34 | C31 | H14 | 100.9° | 93.7° |
| N39 | C34 | C36 | H16 | 59.6° | 55.9° |
| N39 | C34 | C36 | H17 | 179.0° | 176.2° |
| O11 | C10 | N12 | C05 | 179.1° | 180.0° |
| O11 | C10 | C07 | H2 | 62.0° | 61.3° |
| O11 | C10 | C07 | H3 | 60.4° | 61.4° |
| O11 | C10 | N12 | H4 | 0.9° | 0.1° |
| C10 | N12 | C05 | H4 | 180.0° | 180.0° |
| C10 | N12 | C05 | C03 | 179.3° | 180.0° |
| N12 | C10 | C07 | H2 | 118.1° | 118.6° |
| N12 | C10 | C07 | H3 | 119.4° | 118.6° |
| C36 | C34 | C31 | C28 | 93.1° | 88.6° |
| C36 | C34 | C31 | H15 | 128.3° | 124.6° |
| C34 | C36 | C21 | H7 | 153.8° | 173.9° |
| C36 | C34 | C31 | H13 | 26.5° | 30.2° |
| C36 | C34 | C31 | H14 | 147.4° | 152.5° |
| C34 | C36 | H16 | H17 | 118.9° | 120.2° |
| C28 | C31 | C34 | H13 | 119.6° | 118.8° |
| C28 | C31 | C34 | H14 | 119.6° | 118.9° |
| C31 | C28 | C26 | H10 | 150.8° | 147.1° |
| C31 | C28 | H11 | H12 | 122.6° | 122.3° |
| C28 | C31 | H13 | H14 | 121.3° | 122.3° |
| C28 | C31 | C34 | H15 | 138.7° | 146.8° |
| N12 | C05 | C03 | C02 | 179.7° | 179.9° |
| N12 | C05 | C03 | H1 | 0.3° | 0.0° |
| C05 | C03 | C02 | H1 | 180.0° | 180.0° |
| C05 | C03 | C02 | CL1 | 179.6° | 180.0° |
| C03 | C05 | N12 | H4 | 0.7° | 0.0° |
| CL1 | C02 | C03 | H1 | 0.4° | 0.0° |
| C34 | C31 | C28 | H11 | 126.6° | 118.8° |
| C34 | C31 | C28 | H12 | 111.6° | 118.8° |
| C34 | C31 | H13 | H14 | 121.3° | 122.4° |
| C31 | C34 | C36 | H16 | 170.9° | 167.6° |
| C31 | C34 | C36 | H17 | 69.7° | 72.1° |
| H6 | N19 | C21 | H7 | 135.7° | 180.0° |
| H7 | C21 | C23 | H8 | 91.4° | 66.2° |
| H7 | C21 | C23 | H9 | 27.0° | 54.1° |
| H7 | C21 | C36 | H16 | 33.5° | 54.1° |
| H7 | C21 | C36 | H17 | 85.8° | 66.2° |
| H8 | C23 | C26 | H10 | 69.8° | 52.5° |
| H9 | C23 | C26 | H10 | 48.5° | 67.8° |
| H10 | C26 | C28 | H11 | 90.1° | 94.1° |
| H10 | C26 | C28 | H12 | 31.7° | 28.3° |
| H11 | C28 | C31 | H13 | 7.0° | 0.0° |
| H11 | C28 | C31 | H14 | 113.8° | 122.2° |
| H12 | C28 | C31 | H13 | 128.8° | 122.4° |
| H12 | C28 | C31 | H14 | 8.0° | 0.1° |
| H13 | C31 | C34 | H15 | 101.8° | 94.4° |
| H14 | C31 | C34 | H15 | 19.1° | 27.9° |
| H15 | C34 | C36 | H16 | 60.8° | 68.1° |
| H15 | C34 | C36 | H17 | 58.5° | 52.2° |
| H18 | C44 | C47 | H20 | 53.3° | 54.8° |
| H18 | C44 | C47 | H21 | 66.6° | 174.8° |
| H19 | C44 | C47 | H20 | 173.3° | 65.6° |
| H19 | C44 | C47 | H21 | 53.4° | 54.4° |
| H20 | C47 | C50 | H22 | 174.3° | 61.2° |
| H21 | C47 | C50 | H22 | 54.4° | 178.7° |
| H22 | C50 | C52 | H23 | 53.2° | 61.3° |
| H22 | C50 | C52 | H24 | 172.3° | 178.7° |
| H22 | C50 | N58 | H27 | 58.7° | 89.0° |
| H23 | C52 | C55 | H25 | 49.2° | 65.5° |
| H23 | C52 | C55 | H26 | 70.9° | 54.9° |
| H24 | C52 | C55 | H25 | 168.3° | 54.5° |
| H24 | C52 | C55 | H26 | 48.1° | 174.9° |
| H27 | N58 | C60 | H29 | 169.1° | 176.0° |
| H27 | N58 | C60 | H30 | 48.3° | 64.0° |
| H31 | C64 | C66 | H32 | 0.5° | 0.0° |
| H32 | C66 | C68 | H33 | 0.2° | 0.1° |
| H33 | C68 | C70 | H34 | 0.1° | 0.1° |
| H34 | C70 | C72 | H35 | 0.4° | 0.3° |
