6XW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O45 | S43 | doub | 1.42Å | 1.44Å | |
| S43 | C46 | sing | 1.82Å | 1.76Å | |
| S43 | O44 | doub | 1.42Å | 1.44Å | |
| S43 | C40 | sing | 1.82Å | 1.76Å | |
| C46 | C49 | sing | 1.53Å | 1.53Å | |
| C40 | C37 | sing | 1.53Å | 1.53Å | |
| C49 | C35 | sing | 1.53Å | 1.53Å | |
| C37 | C35 | sing | 1.53Å | 1.52Å | |
| C35 | C32 | sing | 1.53Å | 1.51Å | |
| C32 | O31 | sing | 1.43Å | 1.43Å | |
| O31 | C29 | sing | 1.43Å | 1.43Å | |
| N24 | C26 | sing | 1.47Å | 1.46Å | |
| N24 | C21 | sing | 1.47Å | 1.47Å | |
| C26 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C16 | sing | 1.53Å | 1.52Å | |
| C21 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | N14 | sing | 1.46Å | 1.46Å | |
| N14 | C13 | sing | 1.39Å | 1.35Å | |
| N12 | C13 | doub | 1.32Å | 1.35Å | Aromatic |
| N12 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C52 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C58 | N60 | doub | 1.32Å | 1.34Å | Aromatic |
| C58 | C57 | sing | 1.40Å | 1.39Å | Aromatic |
| C52 | N53 | sing | 1.38Å | 1.38Å | |
| C52 | C08 | doub | 1.40Å | 1.41Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.41Å | Aromatic |
| C09 | C57 | sing | 1.48Å | 1.49Å | |
| N60 | C61 | sing | 1.32Å | 1.34Å | Aromatic |
| N53 | C55 | sing | 1.35Å | 1.36Å | |
| C08 | C06 | sing | 1.46Å | 1.44Å | |
| C57 | C67 | doub | 1.40Å | 1.39Å | Aromatic |
| C55 | O56 | doub | 1.22Å | 1.23Å | |
| C55 | C05 | sing | 1.41Å | 1.46Å | |
| C61 | C63 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.36Å | 1.34Å | |
| C67 | C63 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C01 | sing | 1.51Å | 1.51Å | |
| C63 | N64 | sing | 1.40Å | 1.38Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| N14 | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| N24 | H14 | sing | 1.01Å | 1.00Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C46 | H24 | sing | 1.09Å | 1.10Å | |
| C46 | H25 | sing | 1.09Å | 1.10Å | |
| C49 | H26 | sing | 1.09Å | 1.10Å | |
| C49 | H27 | sing | 1.09Å | 1.10Å | |
| N53 | H28 | sing | 0.97Å | 1.00Å | |
| C58 | H29 | sing | 1.08Å | 1.08Å | |
| C61 | H30 | sing | 1.08Å | 1.08Å | |
| N64 | H31 | sing | 0.97Å | 1.00Å | |
| N64 | H32 | sing | 0.97Å | 1.00Å | |
| C67 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O45 | S43 | C46 | 109.2° | 108.6° |
| O45 | S43 | O44 | 118.0° | 119.3° |
| O45 | S43 | C40 | 109.1° | 108.7° |
| C46 | S43 | O44 | 109.1° | 108.7° |
| C46 | S43 | C40 | 101.1° | 101.3° |
| S43 | C46 | C49 | 110.8° | 109.0° |
| S43 | C46 | H24 | 109.1° | 109.6° |
| S43 | C46 | H25 | 109.1° | 109.5° |
| O44 | S43 | C40 | 109.0° | 108.6° |
| S43 | C40 | C37 | 110.8° | 109.0° |
| S43 | C40 | H22 | 109.2° | 109.5° |
| S43 | C40 | H23 | 109.1° | 109.6° |
| C46 | C49 | C35 | 112.8° | 110.0° |
| C49 | C46 | H24 | 109.1° | 109.6° |
| C49 | C46 | H25 | 109.1° | 109.6° |
| C46 | C49 | H26 | 108.7° | 109.4° |
| C46 | C49 | H27 | 108.6° | 109.4° |
| C40 | C37 | C35 | 112.8° | 110.0° |
| C40 | C37 | H20 | 108.6° | 109.3° |
| C40 | C37 | H21 | 108.6° | 109.3° |
| C37 | C40 | H22 | 109.1° | 109.5° |
| C37 | C40 | H23 | 109.1° | 109.6° |
| C49 | C35 | C37 | 109.5° | 110.6° |
| C49 | C35 | C32 | 110.8° | 109.2° |
| C49 | C35 | H19 | 108.4° | 109.2° |
| C35 | C49 | H26 | 108.6° | 109.4° |
| C35 | C49 | H27 | 108.6° | 109.4° |
| C37 | C35 | C32 | 110.9° | 109.3° |
| C37 | C35 | H19 | 108.5° | 109.3° |
| C35 | C37 | H20 | 108.6° | 109.4° |
| C35 | C37 | H21 | 108.7° | 109.4° |
| C35 | C32 | O31 | 108.1° | 109.5° |
| C35 | C32 | H17 | 109.8° | 109.5° |
| C35 | C32 | H18 | 109.8° | 109.4° |
| C32 | C35 | H19 | 108.6° | 109.2° |
| C32 | O31 | C29 | 116.2° | 114.0° |
| O31 | C32 | H17 | 109.8° | 109.5° |
| O31 | C32 | H18 | 109.8° | 109.5° |
| O31 | C29 | C26 | 105.5° | 109.5° |
| O31 | C29 | C16 | 108.2° | 109.5° |
| O31 | C29 | H16 | 111.4° | 109.5° |
| C26 | N24 | C21 | 110.5° | 111.2° |
| N24 | C26 | C29 | 108.6° | 109.5° |
| N24 | C26 | H4 | 109.7° | 109.4° |
| N24 | C26 | H5 | 109.7° | 109.4° |
| C26 | N24 | H14 | 109.2° | 111.0° |
| N24 | C21 | C18 | 110.5° | 109.5° |
| N24 | C21 | H2 | 109.2° | 109.5° |
| N24 | C21 | H3 | 109.2° | 109.4° |
| C21 | N24 | H14 | 109.2° | 111.0° |
| C26 | C29 | C16 | 111.5° | 109.3° |
| C29 | C26 | H4 | 109.7° | 109.5° |
| C29 | C26 | H5 | 109.7° | 109.5° |
| C26 | C29 | H16 | 110.1° | 109.5° |
| C29 | C16 | C18 | 110.5° | 109.2° |
| C29 | C16 | N14 | 112.7° | 109.5° |
| C29 | C16 | H11 | 106.8° | 109.6° |
| C16 | C29 | H16 | 110.0° | 109.5° |
| C21 | C18 | C16 | 109.3° | 109.3° |
| C18 | C21 | H2 | 109.2° | 109.4° |
| C18 | C21 | H3 | 109.2° | 109.5° |
| C21 | C18 | H12 | 109.5° | 109.4° |
| C21 | C18 | H13 | 109.5° | 109.5° |
| C18 | C16 | N14 | 112.3° | 109.5° |
| C18 | C16 | H11 | 106.6° | 109.5° |
| C16 | C18 | H12 | 109.5° | 109.5° |
| C16 | C18 | H13 | 109.5° | 109.5° |
| C16 | N14 | C13 | 122.1° | 120.0° |
| C16 | N14 | H10 | 106.2° | 120.0° |
| N14 | C16 | H11 | 107.5° | 109.5° |
| N14 | C13 | N12 | 116.9° | 119.8° |
| N14 | C13 | C52 | 124.2° | 119.8° |
| C13 | N14 | H10 | 106.2° | 120.0° |
| C13 | N12 | C10 | 120.3° | 122.7° |
| N12 | C13 | C52 | 118.9° | 120.4° |
| N12 | C10 | C09 | 124.9° | 121.2° |
| N12 | C10 | H1 | 117.6° | 119.5° |
| C13 | C52 | N53 | 120.4° | 121.6° |
| C13 | C52 | C08 | 120.2° | 118.7° |
| C10 | C09 | C08 | 116.4° | 118.4° |
| C10 | C09 | C57 | 119.9° | 120.8° |
| C09 | C10 | H1 | 117.5° | 119.4° |
| N60 | C58 | C57 | 124.0° | 120.7° |
| C58 | N60 | C61 | 117.6° | 121.9° |
| N60 | C58 | H29 | 118.0° | 119.6° |
| C58 | C57 | C09 | 120.7° | 120.5° |
| C58 | C57 | C67 | 117.0° | 119.0° |
| C57 | C58 | H29 | 118.0° | 119.6° |
| N53 | C52 | C08 | 119.4° | 119.6° |
| C52 | N53 | C55 | 123.5° | 120.8° |
| C52 | N53 | H28 | 118.3° | 119.6° |
| C52 | C08 | C09 | 119.2° | 118.7° |
| C52 | C08 | C06 | 118.5° | 119.3° |
| C08 | C09 | C57 | 123.7° | 120.8° |
| C09 | C08 | C06 | 122.3° | 122.0° |
| C09 | C57 | C67 | 122.3° | 120.5° |
| N60 | C61 | C63 | 123.7° | 120.9° |
| N60 | C61 | H30 | 118.1° | 119.5° |
| N53 | C55 | O56 | 118.7° | 119.1° |
| N53 | C55 | C05 | 117.2° | 121.7° |
| C55 | N53 | H28 | 118.3° | 119.6° |
| C08 | C06 | C05 | 120.1° | 118.4° |
| C08 | C06 | H9 | 120.0° | 120.9° |
| C57 | C67 | C63 | 120.8° | 118.3° |
| C57 | C67 | H33 | 119.6° | 120.9° |
| O56 | C55 | C05 | 124.1° | 119.2° |
| C55 | C05 | C06 | 121.4° | 120.2° |
| C55 | C05 | C01 | 118.7° | 119.9° |
| C61 | C63 | C67 | 116.9° | 119.2° |
| C61 | C63 | N64 | 122.1° | 120.4° |
| C63 | C61 | H30 | 118.1° | 119.6° |
| C06 | C05 | C01 | 119.9° | 119.9° |
| C05 | C06 | H9 | 120.0° | 120.8° |
| C67 | C63 | N64 | 121.0° | 120.4° |
| C63 | C67 | H33 | 119.6° | 120.9° |
| C05 | C01 | H6 | 109.5° | 109.4° |
| C05 | C01 | H7 | 109.5° | 109.4° |
| C05 | C01 | H8 | 109.5° | 109.5° |
| C63 | N64 | H31 | 109.5° | 120.0° |
| C63 | N64 | H32 | 109.4° | 120.0° |
| H2 | C21 | H3 | 109.4° | 109.5° |
| H4 | C26 | H5 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.4° | 109.4° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.4° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.6° |
| H17 | C32 | H18 | 109.4° | 109.4° |
| H20 | C37 | H21 | 109.5° | 109.4° |
| H22 | C40 | H23 | 109.5° | 109.5° |
| H24 | C46 | H25 | 109.5° | 109.6° |
| H26 | C49 | H27 | 109.5° | 109.3° |
| H31 | N64 | H32 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O45 | S43 | C46 | O44 | 130.2° | 131.3° |
| O45 | S43 | C46 | C40 | 115.0° | 114.4° |
| O45 | S43 | O44 | C40 | 125.2° | 125.3° |
| O45 | S43 | C46 | C49 | 168.8° | 168.7° |
| O45 | S43 | C40 | C37 | 168.8° | 168.6° |
| O45 | S43 | C40 | H22 | 71.0° | 48.8° |
| O45 | S43 | C40 | H23 | 48.6° | 71.4° |
| O45 | S43 | C46 | H24 | 48.6° | 48.8° |
| O45 | S43 | C46 | H25 | 71.0° | 71.4° |
| C46 | S43 | O44 | C40 | 109.6° | 109.4° |
| S43 | C46 | C49 | H24 | 120.2° | 119.9° |
| S43 | C46 | C49 | H25 | 120.2° | 119.8° |
| C46 | S43 | C40 | C37 | 53.9° | 54.3° |
| S43 | C46 | C49 | C35 | 62.1° | 63.7° |
| C46 | S43 | C40 | H22 | 174.0° | 65.5° |
| C46 | S43 | C40 | H23 | 66.3° | 174.3° |
| S43 | C46 | H24 | H25 | 119.4° | 120.2° |
| S43 | C46 | C49 | H26 | 177.4° | 56.5° |
| S43 | C46 | C49 | H27 | 58.4° | 176.1° |
| O44 | S43 | C46 | C49 | 60.9° | 60.0° |
| O44 | S43 | C40 | C37 | 61.0° | 60.1° |
| O44 | S43 | C40 | H22 | 59.2° | 179.9° |
| O44 | S43 | C40 | H23 | 178.8° | 59.9° |
| O44 | S43 | C46 | H24 | 178.9° | 179.9° |
| O44 | S43 | C46 | H25 | 59.2° | 59.8° |
| C40 | S43 | C46 | C49 | 53.9° | 54.3° |
| S43 | C40 | C37 | H22 | 120.2° | 119.8° |
| S43 | C40 | C37 | H23 | 120.2° | 120.0° |
| S43 | C40 | C37 | C35 | 62.1° | 63.7° |
| S43 | C40 | C37 | H20 | 58.4° | 176.2° |
| S43 | C40 | C37 | H21 | 177.4° | 56.5° |
| S43 | C40 | H22 | H23 | 119.4° | 120.3° |
| C40 | S43 | C46 | H24 | 66.3° | 65.6° |
| C40 | S43 | C46 | H25 | 174.0° | 174.2° |
| C46 | C49 | C35 | H26 | 120.5° | 120.2° |
| C46 | C49 | C35 | H27 | 120.5° | 120.2° |
| C46 | C49 | C35 | C37 | 63.2° | 70.0° |
| C46 | C49 | C35 | C32 | 174.2° | 169.7° |
| C46 | C49 | C35 | H19 | 55.0° | 50.3° |
| C49 | C46 | H24 | H25 | 119.4° | 120.3° |
| C46 | C49 | H26 | H27 | 118.5° | 119.8° |
| C40 | C37 | C35 | C49 | 63.2° | 70.0° |
| C40 | C37 | C35 | H20 | 120.5° | 120.1° |
| C40 | C37 | C35 | H21 | 120.5° | 120.1° |
| C40 | C37 | C35 | C32 | 174.3° | 169.7° |
| C40 | C37 | C35 | H19 | 55.0° | 50.2° |
| C40 | C37 | H20 | H21 | 118.5° | 119.7° |
| C37 | C40 | H22 | H23 | 119.4° | 120.3° |
| C49 | C35 | C37 | C32 | 122.6° | 120.3° |
| C49 | C35 | C37 | H19 | 118.2° | 120.3° |
| C49 | C35 | C32 | H19 | 119.0° | 119.4° |
| C49 | C35 | C32 | O31 | 98.3° | 64.4° |
| C49 | C35 | C32 | H17 | 21.5° | 175.5° |
| C49 | C35 | C32 | H18 | 141.9° | 55.6° |
| C49 | C35 | C37 | H20 | 57.3° | 169.9° |
| C49 | C35 | C37 | H21 | 176.3° | 50.1° |
| C35 | C49 | C46 | H24 | 58.1° | 56.2° |
| C35 | C49 | C46 | H25 | 177.8° | 176.5° |
| C35 | C49 | H26 | H27 | 118.5° | 119.7° |
| C37 | C35 | C32 | H19 | 119.2° | 119.5° |
| C37 | C35 | C32 | O31 | 139.8° | 174.5° |
| C37 | C35 | C32 | H17 | 100.3° | 54.4° |
| C37 | C35 | C32 | H18 | 20.0° | 65.5° |
| C35 | C37 | H20 | H21 | 118.5° | 119.8° |
| C35 | C37 | C40 | H22 | 177.7° | 56.1° |
| C35 | C37 | C40 | H23 | 58.1° | 176.4° |
| C37 | C35 | C49 | H26 | 176.3° | 50.1° |
| C37 | C35 | C49 | H27 | 57.3° | 169.8° |
| C35 | C32 | O31 | H17 | 119.8° | 120.0° |
| C35 | C32 | O31 | H18 | 119.8° | 120.0° |
| C35 | C32 | O31 | C29 | 157.1° | 180.0° |
| C35 | C32 | H17 | H18 | 120.6° | 120.0° |
| C32 | C35 | C37 | H20 | 65.3° | 49.6° |
| C32 | C35 | C37 | H21 | 53.8° | 70.2° |
| C32 | C35 | C49 | H26 | 53.6° | 70.2° |
| C32 | C35 | C49 | H27 | 65.4° | 49.5° |
| C32 | O31 | C29 | C26 | 146.4° | 90.0° |
| C32 | O31 | C29 | C16 | 94.1° | 150.2° |
| C32 | O31 | C29 | H16 | 27.0° | 30.1° |
| O31 | C32 | H17 | H18 | 120.6° | 120.0° |
| O31 | C32 | C35 | H19 | 20.7° | 55.0° |
| O31 | C29 | C26 | N24 | 59.4° | 179.1° |
| O31 | C29 | C26 | C16 | 117.2° | 119.9° |
| O31 | C29 | C26 | H16 | 120.3° | 120.1° |
| O31 | C29 | C16 | H16 | 121.9° | 120.1° |
| O31 | C29 | C16 | C18 | 62.3° | 177.6° |
| O31 | C29 | C16 | N14 | 171.1° | 62.5° |
| O31 | C29 | C26 | H4 | 179.3° | 60.9° |
| O31 | C29 | C26 | H5 | 60.4° | 59.1° |
| O31 | C29 | C16 | H11 | 53.3° | 57.7° |
| C29 | O31 | C32 | H17 | 37.3° | 59.9° |
| C29 | O31 | C32 | H18 | 83.1° | 60.0° |
| C26 | N24 | C21 | H14 | 120.2° | 124.2° |
| N24 | C26 | C29 | H4 | 119.9° | 120.0° |
| N24 | C26 | C29 | H5 | 119.8° | 120.0° |
| N24 | C26 | C29 | C16 | 57.8° | 59.2° |
| C26 | N24 | C21 | C18 | 64.3° | 61.7° |
| C26 | N24 | C21 | H2 | 175.5° | 178.2° |
| C26 | N24 | C21 | H3 | 55.8° | 58.2° |
| N24 | C26 | H4 | H5 | 120.4° | 119.9° |
| N24 | C26 | C29 | H16 | 179.7° | 60.8° |
| C21 | N24 | C26 | C29 | 62.9° | 61.8° |
| N24 | C21 | C18 | H2 | 120.2° | 120.1° |
| N24 | C21 | C18 | H3 | 120.2° | 119.9° |
| N24 | C21 | C18 | C16 | 57.7° | 59.2° |
| N24 | C21 | H2 | H3 | 119.5° | 120.0° |
| C21 | N24 | C26 | H4 | 56.9° | 178.2° |
| C21 | N24 | C26 | H5 | 177.2° | 58.3° |
| N24 | C21 | C18 | H12 | 62.3° | 179.1° |
| N24 | C21 | C18 | H13 | 177.7° | 60.8° |
| C26 | C29 | C16 | H16 | 122.5° | 119.9° |
| C26 | C29 | C16 | C18 | 53.3° | 57.7° |
| C26 | C29 | C16 | N14 | 73.3° | 177.6° |
| C29 | C26 | H4 | H5 | 120.4° | 120.0° |
| C26 | C29 | C16 | H11 | 168.9° | 62.3° |
| C29 | C26 | N24 | H14 | 57.2° | 174.1° |
| C29 | C16 | C18 | C21 | 52.3° | 57.7° |
| C29 | C16 | C18 | N14 | 126.8° | 119.9° |
| C29 | C16 | C18 | H11 | 115.7° | 120.0° |
| C29 | C16 | N14 | H11 | 117.4° | 120.2° |
| C29 | C16 | N14 | C13 | 72.0° | 155.2° |
| C16 | C29 | C26 | H4 | 62.1° | 179.2° |
| C16 | C29 | C26 | H5 | 177.7° | 60.8° |
| C29 | C16 | N14 | H10 | 166.3° | 24.8° |
| C29 | C16 | C18 | H12 | 67.7° | 177.5° |
| C29 | C16 | C18 | H13 | 172.3° | 62.3° |
| C21 | C18 | C16 | H12 | 120.0° | 119.9° |
| C21 | C18 | C16 | H13 | 120.0° | 119.9° |
| C21 | C18 | C16 | N14 | 74.5° | 177.6° |
| C18 | C21 | H2 | H3 | 119.5° | 120.0° |
| C21 | C18 | C16 | H11 | 168.0° | 62.3° |
| C21 | C18 | H12 | H13 | 120.1° | 120.1° |
| C18 | C21 | N24 | H14 | 55.8° | 174.1° |
| C18 | C16 | N14 | H11 | 117.0° | 120.1° |
| C18 | C16 | N14 | C13 | 162.4° | 85.1° |
| C16 | C18 | C21 | H2 | 177.9° | 179.2° |
| C16 | C18 | C21 | H3 | 62.5° | 60.8° |
| C18 | C16 | N14 | H10 | 40.7° | 94.9° |
| C16 | C18 | H12 | H13 | 120.1° | 120.2° |
| C18 | C16 | C29 | H16 | 175.8° | 62.3° |
| C16 | N14 | C13 | H10 | 121.7° | 180.0° |
| C16 | N14 | C13 | N12 | 9.2° | 0.0° |
| C16 | N14 | C13 | C52 | 171.0° | 180.0° |
| N14 | C16 | C18 | H12 | 165.5° | 62.6° |
| N14 | C16 | C18 | H13 | 45.5° | 57.6° |
| N14 | C16 | C29 | H16 | 49.2° | 57.6° |
| N14 | C13 | N12 | C52 | 179.8° | 180.0° |
| N14 | C13 | N12 | C10 | 179.7° | 180.0° |
| N14 | C13 | C52 | N53 | 0.0° | 0.0° |
| N14 | C13 | C52 | C08 | 179.7° | 179.7° |
| C13 | N14 | C16 | H11 | 45.4° | 35.0° |
| C13 | N12 | C10 | C09 | 0.7° | 0.0° |
| N12 | C13 | C52 | N53 | 179.8° | 180.0° |
| N12 | C13 | C52 | C08 | 0.4° | 0.3° |
| C13 | N12 | C10 | H1 | 179.3° | 179.7° |
| N12 | C13 | N14 | H10 | 112.5° | 180.0° |
| C10 | N12 | C13 | C52 | 0.5° | 0.0° |
| N12 | C10 | C09 | H1 | 180.0° | 179.7° |
| N12 | C10 | C09 | C08 | 0.8° | 0.3° |
| N12 | C10 | C09 | C57 | 179.4° | 179.7° |
| C13 | C52 | N53 | C08 | 179.8° | 179.7° |
| C13 | C52 | C08 | C09 | 0.6° | 0.6° |
| C13 | C52 | N53 | C55 | 180.0° | 180.0° |
| C13 | C52 | C08 | C06 | 179.9° | 179.7° |
| C52 | C13 | N14 | H10 | 67.3° | 0.0° |
| C13 | C52 | N53 | H28 | 0.0° | 0.0° |
| C10 | C09 | C57 | C58 | 50.5° | 130.3° |
| C10 | C09 | C08 | C52 | 0.7° | 0.6° |
| C10 | C09 | C08 | C57 | 178.5° | 180.0° |
| C10 | C09 | C08 | C06 | 179.8° | 179.7° |
| C10 | C09 | C57 | C67 | 128.1° | 50.0° |
| N60 | C58 | C57 | H29 | 180.0° | 179.9° |
| N60 | C58 | C57 | C09 | 179.2° | 180.0° |
| N60 | C58 | C57 | C67 | 0.5° | 0.3° |
| C58 | N60 | C61 | C63 | 0.1° | 0.0° |
| C58 | N60 | C61 | H30 | 179.9° | 180.0° |
| C58 | C57 | C09 | C08 | 128.0° | 49.7° |
| C58 | C57 | C09 | C67 | 178.6° | 179.7° |
| C57 | C58 | N60 | C61 | 0.1° | 0.0° |
| C58 | C57 | C67 | C63 | 0.8° | 0.5° |
| C58 | C57 | C67 | H33 | 179.2° | 179.7° |
| N53 | C52 | C08 | C09 | 179.6° | 179.7° |
| C52 | N53 | C55 | H28 | 180.0° | 180.0° |
| N53 | C52 | C08 | C06 | 0.1° | 0.6° |
| C52 | N53 | C55 | O56 | 179.8° | 180.0° |
| C52 | N53 | C55 | C05 | 0.2° | 0.0° |
| C52 | C08 | C09 | C06 | 179.5° | 179.1° |
| C52 | C08 | C09 | C57 | 179.3° | 179.5° |
| C08 | C52 | N53 | C55 | 0.2° | 0.3° |
| C52 | C08 | C06 | C05 | 0.1° | 0.6° |
| C52 | C08 | C06 | H9 | 179.9° | 179.7° |
| C08 | C52 | N53 | H28 | 179.7° | 179.8° |
| C08 | C09 | C57 | C67 | 53.4° | 130.0° |
| C09 | C08 | C06 | C05 | 179.5° | 179.7° |
| C08 | C09 | C10 | H1 | 179.2° | 180.0° |
| C09 | C08 | C06 | H9 | 0.6° | 0.7° |
| C57 | C09 | C08 | C06 | 1.2° | 0.4° |
| C09 | C57 | C67 | C63 | 179.4° | 179.8° |
| C57 | C09 | C10 | H1 | 0.6° | 0.0° |
| C09 | C57 | C58 | H29 | 0.8° | 0.1° |
| C09 | C57 | C67 | H33 | 0.5° | 0.0° |
| N60 | C61 | C63 | H30 | 180.0° | 180.0° |
| N60 | C61 | C63 | C67 | 0.1° | 0.3° |
| N60 | C61 | C63 | N64 | 179.9° | 180.0° |
| C61 | N60 | C58 | H29 | 179.9° | 179.9° |
| N53 | C55 | O56 | C05 | 179.9° | 180.0° |
| N53 | C55 | C05 | C06 | 0.0° | 0.1° |
| N53 | C55 | C05 | C01 | 179.6° | 180.0° |
| C08 | C06 | C05 | C55 | 0.1° | 0.4° |
| C08 | C06 | C05 | H9 | 180.0° | 179.6° |
| C08 | C06 | C05 | C01 | 179.7° | 179.7° |
| C57 | C67 | C63 | C61 | 0.6° | 0.5° |
| C57 | C67 | C63 | H33 | 180.0° | 179.8° |
| C57 | C67 | C63 | N64 | 179.4° | 179.8° |
| C67 | C57 | C58 | H29 | 179.5° | 179.8° |
| O56 | C55 | C05 | C06 | 180.0° | 180.0° |
| O56 | C55 | C05 | C01 | 0.4° | 0.0° |
| O56 | C55 | N53 | H28 | 0.2° | 0.0° |
| C55 | C05 | C06 | C01 | 179.6° | 179.9° |
| C55 | C05 | C01 | H6 | 180.0° | 90.0° |
| C55 | C05 | C01 | H7 | 60.0° | 29.9° |
| C55 | C05 | C01 | H8 | 60.0° | 150.0° |
| C55 | C05 | C06 | H9 | 179.8° | 180.0° |
| C05 | C55 | N53 | H28 | 179.8° | 180.0° |
| C61 | C63 | C67 | N64 | 180.0° | 179.7° |
| C61 | C63 | N64 | H31 | 180.0° | 0.1° |
| C61 | C63 | N64 | H32 | 60.0° | 180.0° |
| C61 | C63 | C67 | H33 | 179.4° | 179.7° |
| C06 | C05 | C01 | H6 | 0.4° | 90.0° |
| C06 | C05 | C01 | H7 | 120.4° | 150.0° |
| C06 | C05 | C01 | H8 | 119.6° | 30.0° |
| C67 | C63 | C61 | H30 | 179.9° | 179.8° |
| C67 | C63 | N64 | H31 | 0.0° | 179.8° |
| C67 | C63 | N64 | H32 | 120.0° | 0.3° |
| C05 | C01 | H6 | H7 | 120.0° | 119.9° |
| C05 | C01 | H6 | H8 | 120.0° | 120.0° |
| C05 | C01 | H7 | H8 | 120.0° | 120.1° |
| C01 | C05 | C06 | H9 | 0.2° | 0.1° |
| N64 | C63 | C61 | H30 | 0.2° | 0.1° |
| C63 | N64 | H31 | H32 | 120.0° | 179.9° |
| N64 | C63 | C67 | H33 | 0.6° | 0.0° |
| H2 | C21 | C18 | H12 | 57.9° | 60.9° |
| H2 | C21 | C18 | H13 | 62.1° | 59.3° |
| H2 | C21 | N24 | H14 | 64.4° | 54.1° |
| H3 | C21 | C18 | H12 | 177.6° | 59.1° |
| H3 | C21 | C18 | H13 | 57.5° | 179.3° |
| H3 | C21 | N24 | H14 | 176.0° | 65.9° |
| H4 | C26 | N24 | H14 | 177.0° | 54.1° |
| H4 | C26 | C29 | H16 | 60.4° | 59.2° |
| H5 | C26 | N24 | H14 | 62.6° | 65.9° |
| H5 | C26 | C29 | H16 | 59.9° | 179.2° |
| H6 | C01 | H7 | H8 | 119.9° | 120.0° |
| H10 | N14 | C16 | H11 | 76.3° | 145.0° |
| H11 | C16 | C18 | H12 | 48.0° | 57.5° |
| H11 | C16 | C18 | H13 | 72.0° | 177.7° |
| H11 | C16 | C29 | H16 | 68.6° | 177.8° |
| H17 | C32 | C35 | H19 | 140.5° | 65.0° |
| H18 | C32 | C35 | H19 | 99.2° | 175.0° |
| H19 | C35 | C37 | H20 | 175.5° | 69.9° |
| H19 | C35 | C37 | H21 | 65.5° | 170.3° |
| H19 | C35 | C49 | H26 | 65.5° | 170.4° |
| H19 | C35 | C49 | H27 | 175.5° | 69.9° |
| H20 | C37 | C40 | H22 | 61.8° | 64.0° |
| H20 | C37 | C40 | H23 | 178.6° | 56.2° |
| H21 | C37 | C40 | H22 | 57.2° | 176.3° |
| H21 | C37 | C40 | H23 | 62.4° | 63.5° |
| H24 | C46 | C49 | H26 | 62.4° | 176.3° |
| H24 | C46 | C49 | H27 | 178.6° | 64.0° |
| H25 | C46 | C49 | H26 | 57.3° | 63.3° |
| H25 | C46 | C49 | H27 | 61.8° | 56.4° |
