FFI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C68 | sing | 1.71Å | 1.79Å | |
| S1 | C70 | sing | 1.81Å | 1.79Å | |
| P2 | O6 | sing | 1.61Å | 1.49Å | |
| P2 | O9 | doub | 1.48Å | 1.35Å | |
| P2 | O10 | sing | 1.61Å | 1.39Å | |
| P2 | O11 | sing | 1.61Å | 1.40Å | |
| P3 | O8 | sing | 1.61Å | 1.49Å | |
| P3 | O12 | sing | 1.61Å | 1.52Å | |
| P3 | O13 | doub | 1.48Å | 1.35Å | |
| P3 | O14 | sing | 1.61Å | 1.41Å | |
| P4 | O12 | sing | 1.61Å | 1.51Å | |
| P4 | O15 | sing | 1.61Å | 1.65Å | |
| P4 | O17 | doub | 1.48Å | 1.42Å | |
| P4 | O18 | sing | 1.61Å | 1.40Å | |
| O5 | C31 | sing | 1.44Å | 1.40Å | |
| O5 | C32 | sing | 1.45Å | 1.20Å | |
| O6 | C29 | sing | 1.43Å | 1.43Å | |
| O7 | C30 | sing | 1.43Å | 1.37Å | |
| O15 | C46 | sing | 1.43Å | 1.43Å | |
| O16 | C49 | sing | 1.43Å | 1.32Å | |
| O19 | C60 | doub | 1.21Å | 1.21Å | |
| O20 | C68 | doub | 1.21Å | 1.10Å | |
| O21 | C69 | doub | 1.21Å | 1.17Å | |
| N22 | C32 | sing | 1.47Å | 1.33Å | |
| N22 | C34 | sing | 1.37Å | 1.30Å | Aromatic |
| N22 | C35 | sing | 1.36Å | 1.28Å | Aromatic |
| N23 | C35 | doub | 1.30Å | 1.26Å | Aromatic |
| N23 | C36 | sing | 1.36Å | 1.19Å | Aromatic |
| N24 | C34 | doub | 1.33Å | 1.44Å | Aromatic |
| N24 | C39 | sing | 1.32Å | 1.44Å | Aromatic |
| N25 | C37 | sing | 1.33Å | 1.30Å | Aromatic |
| N25 | C39 | doub | 1.32Å | 1.41Å | Aromatic |
| N26 | C37 | sing | 1.38Å | 1.36Å | |
| N27 | C60 | sing | 1.35Å | 1.52Å | |
| N27 | C65 | sing | 1.46Å | 1.50Å | |
| N28 | C69 | sing | 1.35Å | 1.44Å | |
| N28 | C71 | sing | 1.47Å | 1.43Å | |
| C29 | C30 | sing | 1.54Å | 1.16Å | |
| C29 | C31 | sing | 1.54Å | 1.51Å | |
| C30 | C32 | sing | 1.55Å | 1.54Å | |
| C31 | C33 | sing | 1.53Å | 1.34Å | |
| C34 | C36 | sing | 1.41Å | 1.24Å | Aromatic |
| C36 | C37 | doub | 1.41Å | 1.40Å | Aromatic |
| C38 | C46 | sing | 1.53Å | 1.50Å | |
| C38 | C49 | sing | 1.53Å | 1.53Å | |
| C38 | C54 | sing | 1.53Å | 1.44Å | |
| C38 | C55 | sing | 1.53Å | 1.43Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | C45 | sing | 1.53Å | 1.54Å | |
| C44 | C47 | sing | 1.53Å | 1.52Å | |
| C45 | C48 | sing | 1.53Å | 1.53Å | |
| C47 | C50 | sing | 1.53Å | 1.47Å | |
| C48 | C51 | sing | 1.53Å | 1.52Å | |
| C49 | C60 | sing | 1.51Å | 1.65Å | |
| C50 | C52 | sing | 1.53Å | 1.54Å | |
| C51 | C53 | sing | 1.53Å | 1.54Å | |
| C52 | C56 | sing | 1.53Å | 1.56Å | |
| C53 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | C59 | sing | 1.53Å | 1.50Å | |
| C58 | C61 | sing | 1.53Å | 1.52Å | |
| C59 | C62 | sing | 1.53Å | 1.57Å | |
| C61 | C63 | sing | 1.53Å | 1.53Å | |
| C62 | C64 | sing | 1.53Å | 1.58Å | |
| C63 | C66 | sing | 1.53Å | 1.52Å | |
| C64 | C68 | sing | 1.51Å | 1.57Å | |
| C65 | C67 | sing | 1.53Å | 1.63Å | |
| C67 | C69 | sing | 1.51Å | 1.59Å | |
| C70 | C71 | sing | 1.53Å | 1.53Å | |
| O7 | H1 | sing | 0.97Å | 0.95Å | |
| O10 | H2 | sing | 0.97Å | 0.95Å | |
| O11 | H3 | sing | 0.97Å | 0.95Å | |
| O14 | H5 | sing | 0.97Å | 0.95Å | |
| O16 | H6 | sing | 0.97Å | 0.95Å | |
| O18 | H7 | sing | 0.97Å | 0.95Å | |
| N26 | H9 | sing | 0.97Å | 1.00Å | |
| N26 | H10 | sing | 0.97Å | 1.00Å | |
| N28 | H11 | sing | 0.97Å | 1.00Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.08Å | 1.08Å | |
| C39 | H19 | sing | 1.08Å | 1.08Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| C41 | H22 | sing | 1.09Å | 1.10Å | |
| C41 | H23 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| C43 | H27 | sing | 1.09Å | 1.10Å | |
| C44 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C45 | H30 | sing | 1.09Å | 1.10Å | |
| C45 | H31 | sing | 1.09Å | 1.10Å | |
| C46 | H32 | sing | 1.09Å | 1.10Å | |
| C46 | H33 | sing | 1.09Å | 1.10Å | |
| C47 | H34 | sing | 1.09Å | 1.10Å | |
| C47 | H35 | sing | 1.09Å | 1.10Å | |
| C48 | H36 | sing | 1.09Å | 1.10Å | |
| C48 | H37 | sing | 1.09Å | 1.10Å | |
| C49 | H38 | sing | 1.09Å | 1.10Å | |
| C50 | H39 | sing | 1.09Å | 1.10Å | |
| C50 | H40 | sing | 1.09Å | 1.10Å | |
| C51 | H41 | sing | 1.09Å | 1.10Å | |
| C51 | H42 | sing | 1.09Å | 1.10Å | |
| C52 | H43 | sing | 1.09Å | 1.10Å | |
| C52 | H44 | sing | 1.09Å | 1.10Å | |
| C53 | H45 | sing | 1.09Å | 1.10Å | |
| C53 | H46 | sing | 1.09Å | 1.10Å | |
| C54 | H47 | sing | 1.09Å | 1.10Å | |
| C54 | H48 | sing | 1.09Å | 1.10Å | |
| C54 | H49 | sing | 1.09Å | 1.10Å | |
| C55 | H50 | sing | 1.09Å | 1.10Å | |
| C55 | H51 | sing | 1.09Å | 1.10Å | |
| C55 | H52 | sing | 1.09Å | 1.10Å | |
| C56 | H53 | sing | 1.09Å | 1.10Å | |
| C56 | H54 | sing | 1.09Å | 1.10Å | |
| C57 | H55 | sing | 1.09Å | 1.10Å | |
| C57 | H56 | sing | 1.09Å | 1.10Å | |
| C58 | H57 | sing | 1.09Å | 1.10Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H60 | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H63 | sing | 1.09Å | 1.10Å | |
| C62 | H64 | sing | 1.09Å | 1.10Å | |
| C63 | H65 | sing | 1.09Å | 1.10Å | |
| C63 | H66 | sing | 1.09Å | 1.10Å | |
| C64 | H67 | sing | 1.09Å | 1.10Å | |
| C64 | H68 | sing | 1.09Å | 1.10Å | |
| C65 | H69 | sing | 1.09Å | 1.10Å | |
| C66 | H70 | sing | 1.09Å | 1.10Å | |
| C66 | H71 | sing | 1.09Å | 1.10Å | |
| C66 | H72 | sing | 1.09Å | 1.10Å | |
| C67 | H73 | sing | 1.09Å | 1.10Å | |
| C67 | H74 | sing | 1.09Å | 1.10Å | |
| C70 | H76 | sing | 1.09Å | 1.10Å | |
| C70 | H77 | sing | 1.09Å | 1.10Å | |
| C71 | H78 | sing | 1.09Å | 1.10Å | |
| C71 | H79 | sing | 1.09Å | 1.10Å | |
| O8 | C33 | sing | 1.43Å | 1.34Å | |
| C33 | H81 | sing | 1.09Å | 1.10Å | |
| N27 | H4 | sing | 0.97Å | 1.00Å | |
| C65 | H75 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C68 | S1 | C70 | 118.0° | 100.0° |
| S1 | C68 | O20 | 108.5° | 120.0° |
| S1 | C68 | C64 | 131.2° | 120.0° |
| S1 | C70 | C71 | 113.8° | 109.5° |
| S1 | C70 | H76 | 108.4° | 109.4° |
| S1 | C70 | H77 | 108.4° | 109.5° |
| O6 | P2 | O9 | 100.3° | 109.5° |
| O6 | P2 | O10 | 110.8° | 109.5° |
| O6 | P2 | O11 | 117.5° | 109.5° |
| P2 | O6 | C29 | 127.1° | 123.0° |
| O9 | P2 | O10 | 110.4° | 109.5° |
| O9 | P2 | O11 | 101.7° | 109.5° |
| O10 | P2 | O11 | 114.6° | 109.5° |
| P2 | O10 | H2 | 109.5° | 114.0° |
| P2 | O11 | H3 | 109.5° | 114.0° |
| O8 | P3 | O12 | 110.4° | 109.5° |
| O8 | P3 | O13 | 97.4° | 109.5° |
| O8 | P3 | O14 | 104.7° | 109.4° |
| P3 | O8 | C33 | 108.5° | 123.1° |
| O12 | P3 | O13 | 118.0° | 109.5° |
| O12 | P3 | O14 | 117.0° | 109.5° |
| P3 | O12 | P4 | 107.9° | 134.0° |
| O13 | P3 | O14 | 106.8° | 109.5° |
| P3 | O14 | H5 | 109.5° | 114.0° |
| O12 | P4 | O15 | 114.7° | 109.5° |
| O12 | P4 | O17 | 111.4° | 109.5° |
| O12 | P4 | O18 | 105.7° | 109.5° |
| O15 | P4 | O17 | 109.5° | 109.4° |
| O15 | P4 | O18 | 116.7° | 109.5° |
| P4 | O15 | C46 | 126.1° | 123.0° |
| O17 | P4 | O18 | 97.5° | 109.5° |
| P4 | O18 | H7 | 109.5° | 114.0° |
| C31 | O5 | C32 | 92.0° | 105.3° |
| O5 | C31 | C29 | 89.6° | 104.8° |
| O5 | C31 | C33 | 109.0° | 110.3° |
| O5 | C31 | H14 | 117.5° | 110.4° |
| O5 | C32 | N22 | 112.7° | 110.4° |
| O5 | C32 | C30 | 103.7° | 104.7° |
| O5 | C32 | H15 | 117.3° | 110.4° |
| O6 | C29 | C30 | 119.7° | 110.5° |
| O6 | C29 | C31 | 104.9° | 110.5° |
| O6 | C29 | H12 | 107.6° | 110.5° |
| O7 | C30 | C29 | 112.5° | 110.5° |
| O7 | C30 | C32 | 88.1° | 110.4° |
| C30 | O7 | H1 | 109.5° | 114.0° |
| O7 | C30 | H13 | 116.3° | 110.5° |
| O15 | C46 | C38 | 122.8° | 109.5° |
| O15 | C46 | H32 | 106.0° | 109.5° |
| O15 | C46 | H33 | 106.0° | 109.5° |
| O16 | C49 | C38 | 94.6° | 109.5° |
| O16 | C49 | C60 | 102.7° | 109.5° |
| C49 | O16 | H6 | 109.5° | 114.0° |
| O16 | C49 | H38 | 110.1° | 109.4° |
| O19 | C60 | N27 | 107.2° | 120.0° |
| O19 | C60 | C49 | 127.0° | 120.0° |
| O20 | C68 | C64 | 120.2° | 120.0° |
| O21 | C69 | N28 | 113.6° | 120.0° |
| O21 | C69 | C67 | 130.0° | 120.0° |
| C32 | N22 | C34 | 126.5° | 126.3° |
| C32 | N22 | C35 | 126.8° | 126.3° |
| N22 | C32 | C30 | 94.9° | 110.4° |
| N22 | C32 | H15 | 114.4° | 110.4° |
| C34 | N22 | C35 | 106.7° | 107.5° |
| N22 | C34 | N24 | 138.8° | 134.9° |
| N22 | C34 | C36 | 108.5° | 106.0° |
| N22 | C35 | N23 | 102.7° | 110.0° |
| N22 | C35 | H17 | 128.6° | 125.0° |
| C35 | N23 | C36 | 114.1° | 109.4° |
| N23 | C35 | H17 | 128.7° | 125.0° |
| N23 | C36 | C34 | 105.3° | 107.1° |
| N23 | C36 | C37 | 123.4° | 134.7° |
| C34 | N24 | C39 | 119.7° | 120.6° |
| N24 | C34 | C36 | 112.6° | 119.1° |
| N24 | C39 | N25 | 120.5° | 122.5° |
| N24 | C39 | H19 | 119.8° | 118.8° |
| C37 | N25 | C39 | 115.9° | 121.2° |
| N25 | C37 | N26 | 124.6° | 120.8° |
| N25 | C37 | C36 | 121.0° | 118.4° |
| N25 | C39 | H19 | 119.7° | 118.7° |
| N26 | C37 | C36 | 114.4° | 120.8° |
| C37 | N26 | H9 | 109.5° | 120.0° |
| C37 | N26 | H10 | 109.4° | 120.0° |
| C60 | N27 | C65 | 121.1° | 120.0° |
| N27 | C60 | C49 | 125.9° | 120.0° |
| C60 | N27 | H4 | 119.4° | 120.0° |
| N27 | C65 | C67 | 121.8° | 109.5° |
| N27 | C65 | H69 | 106.3° | 109.5° |
| C65 | N27 | H4 | 119.5° | 120.0° |
| N27 | C65 | H75 | 106.3° | 109.5° |
| C69 | N28 | C71 | 125.4° | 119.9° |
| N28 | C69 | C67 | 116.3° | 120.0° |
| C69 | N28 | H11 | 117.3° | 120.0° |
| N28 | C71 | C70 | 97.2° | 109.4° |
| C71 | N28 | H11 | 117.3° | 120.0° |
| N28 | C71 | H78 | 112.4° | 109.5° |
| N28 | C71 | H79 | 112.4° | 109.5° |
| C30 | C29 | C31 | 105.3° | 104.0° |
| C29 | C30 | C32 | 98.5° | 104.1° |
| C30 | C29 | H12 | 111.8° | 110.5° |
| C29 | C30 | H13 | 121.5° | 110.5° |
| C29 | C31 | C33 | 101.8° | 110.4° |
| C31 | C29 | H12 | 106.6° | 110.6° |
| C29 | C31 | H14 | 115.4° | 110.4° |
| C32 | C30 | H13 | 113.2° | 110.6° |
| C30 | C32 | H15 | 110.9° | 110.5° |
| C33 | C31 | H14 | 118.8° | 110.4° |
| C31 | C33 | H16 | 107.9° | 109.5° |
| C31 | C33 | O8 | 115.6° | 109.6° |
| C31 | C33 | H81 | 108.0° | 109.5° |
| C34 | C36 | C37 | 130.2° | 118.2° |
| C46 | C38 | C49 | 110.9° | 109.5° |
| C46 | C38 | C54 | 103.4° | 109.5° |
| C46 | C38 | C55 | 102.3° | 109.5° |
| C38 | C46 | H32 | 106.0° | 109.4° |
| C38 | C46 | H33 | 106.0° | 109.5° |
| C49 | C38 | C54 | 120.0° | 109.4° |
| C49 | C38 | C55 | 119.8° | 109.5° |
| C38 | C49 | C60 | 134.0° | 109.5° |
| C38 | C49 | H38 | 107.3° | 109.4° |
| C54 | C38 | C55 | 97.9° | 109.5° |
| C38 | C54 | H47 | 109.5° | 109.4° |
| C38 | C54 | H48 | 109.5° | 109.5° |
| C38 | C54 | H49 | 109.5° | 109.5° |
| C38 | C55 | H50 | 109.5° | 109.5° |
| C38 | C55 | H51 | 109.5° | 109.5° |
| C38 | C55 | H52 | 109.4° | 109.4° |
| C41 | C40 | C42 | 113.6° | 109.5° |
| C40 | C41 | C43 | 107.0° | 109.5° |
| C41 | C40 | H20 | 108.4° | 109.5° |
| C41 | C40 | H21 | 108.4° | 109.5° |
| C40 | C41 | H22 | 110.1° | 109.5° |
| C40 | C41 | H23 | 110.1° | 109.4° |
| C40 | C42 | C44 | 100.5° | 109.5° |
| C42 | C40 | H20 | 108.4° | 109.4° |
| C42 | C40 | H21 | 108.4° | 109.5° |
| C40 | C42 | H24 | 111.6° | 109.5° |
| C40 | C42 | H25 | 111.7° | 109.5° |
| C41 | C43 | C45 | 115.7° | 109.5° |
| C43 | C41 | H22 | 110.1° | 109.4° |
| C43 | C41 | H23 | 110.1° | 109.5° |
| C41 | C43 | H26 | 107.9° | 109.4° |
| C41 | C43 | H27 | 107.9° | 109.5° |
| C42 | C44 | C47 | 116.6° | 109.5° |
| C44 | C42 | H24 | 111.7° | 109.4° |
| C44 | C42 | H25 | 111.7° | 109.5° |
| C42 | C44 | H28 | 107.6° | 109.5° |
| C42 | C44 | H29 | 107.7° | 109.5° |
| C43 | C45 | C48 | 98.6° | 109.5° |
| C45 | C43 | H26 | 107.9° | 109.5° |
| C45 | C43 | H27 | 107.9° | 109.5° |
| C43 | C45 | H30 | 112.1° | 109.5° |
| C43 | C45 | H31 | 112.1° | 109.5° |
| C44 | C47 | C50 | 108.0° | 109.5° |
| C47 | C44 | H28 | 107.6° | 109.5° |
| C47 | C44 | H29 | 107.6° | 109.4° |
| C44 | C47 | H34 | 109.8° | 109.5° |
| C44 | C47 | H35 | 109.8° | 109.5° |
| C45 | C48 | C51 | 112.3° | 109.5° |
| C48 | C45 | H30 | 112.1° | 109.4° |
| C48 | C45 | H31 | 112.1° | 109.5° |
| C45 | C48 | H36 | 108.8° | 109.4° |
| C45 | C48 | H37 | 108.7° | 109.5° |
| C47 | C50 | C52 | 104.3° | 109.5° |
| C50 | C47 | H34 | 109.8° | 109.4° |
| C50 | C47 | H35 | 109.8° | 109.4° |
| C47 | C50 | H39 | 110.7° | 109.4° |
| C47 | C50 | H40 | 110.8° | 109.5° |
| C48 | C51 | C53 | 110.6° | 109.5° |
| C51 | C48 | H36 | 108.7° | 109.5° |
| C51 | C48 | H37 | 108.8° | 109.4° |
| C48 | C51 | H41 | 109.2° | 109.5° |
| C48 | C51 | H42 | 109.2° | 109.5° |
| C60 | C49 | H38 | 106.0° | 109.5° |
| C50 | C52 | C56 | 113.1° | 109.5° |
| C52 | C50 | H39 | 110.7° | 109.5° |
| C52 | C50 | H40 | 110.8° | 109.5° |
| C50 | C52 | H43 | 108.5° | 109.4° |
| C50 | C52 | H44 | 108.6° | 109.5° |
| C51 | C53 | C57 | 114.1° | 109.5° |
| C53 | C51 | H41 | 109.2° | 109.5° |
| C53 | C51 | H42 | 109.2° | 109.4° |
| C51 | C53 | H45 | 108.3° | 109.5° |
| C51 | C53 | H46 | 108.3° | 109.4° |
| C52 | C56 | C58 | 113.9° | 109.5° |
| C56 | C52 | H43 | 108.6° | 109.5° |
| C56 | C52 | H44 | 108.5° | 109.5° |
| C52 | C56 | H53 | 108.4° | 109.4° |
| C52 | C56 | H54 | 108.4° | 109.5° |
| C53 | C57 | C59 | 110.1° | 109.5° |
| C57 | C53 | H45 | 108.3° | 109.5° |
| C57 | C53 | H46 | 108.3° | 109.5° |
| C53 | C57 | H55 | 109.3° | 109.5° |
| C53 | C57 | H56 | 109.3° | 109.5° |
| C56 | C58 | C61 | 109.9° | 109.4° |
| C58 | C56 | H53 | 108.3° | 109.5° |
| C58 | C56 | H54 | 108.3° | 109.5° |
| C56 | C58 | H57 | 109.4° | 109.5° |
| C56 | C58 | H58 | 109.4° | 109.5° |
| C57 | C59 | C62 | 109.8° | 109.5° |
| C59 | C57 | H55 | 109.3° | 109.4° |
| C59 | C57 | H56 | 109.3° | 109.5° |
| C57 | C59 | H59 | 109.4° | 109.4° |
| C57 | C59 | H60 | 109.4° | 109.5° |
| C58 | C61 | C63 | 107.7° | 109.5° |
| C61 | C58 | H57 | 109.4° | 109.5° |
| C61 | C58 | H58 | 109.4° | 109.5° |
| C58 | C61 | H61 | 109.9° | 109.5° |
| C58 | C61 | H62 | 109.9° | 109.5° |
| C59 | C62 | C64 | 108.3° | 109.5° |
| C62 | C59 | H59 | 109.4° | 109.5° |
| C62 | C59 | H60 | 109.4° | 109.5° |
| C59 | C62 | H63 | 109.8° | 109.5° |
| C59 | C62 | H64 | 109.7° | 109.4° |
| C61 | C63 | C66 | 111.3° | 109.5° |
| C63 | C61 | H61 | 109.9° | 109.5° |
| C63 | C61 | H62 | 109.9° | 109.4° |
| C61 | C63 | H65 | 109.0° | 109.5° |
| C61 | C63 | H66 | 109.0° | 109.4° |
| C62 | C64 | C68 | 122.5° | 109.5° |
| C64 | C62 | H63 | 109.8° | 109.5° |
| C64 | C62 | H64 | 109.8° | 109.5° |
| C62 | C64 | H67 | 106.1° | 109.5° |
| C62 | C64 | H68 | 106.1° | 109.5° |
| C66 | C63 | H65 | 109.0° | 109.4° |
| C66 | C63 | H66 | 109.0° | 109.5° |
| C63 | C66 | H70 | 109.5° | 109.5° |
| C63 | C66 | H71 | 109.5° | 109.5° |
| C63 | C66 | H72 | 109.5° | 109.5° |
| C68 | C64 | H67 | 106.1° | 109.5° |
| C68 | C64 | H68 | 106.1° | 109.4° |
| C65 | C67 | C69 | 126.7° | 109.5° |
| C67 | C65 | H69 | 106.3° | 109.5° |
| C65 | C67 | H73 | 105.0° | 109.4° |
| C65 | C67 | H74 | 105.0° | 109.4° |
| C67 | C65 | H75 | 106.3° | 109.4° |
| C69 | C67 | H73 | 105.0° | 109.5° |
| C69 | C67 | H74 | 105.0° | 109.5° |
| C71 | C70 | H76 | 108.4° | 109.5° |
| C71 | C70 | H77 | 108.4° | 109.5° |
| C70 | C71 | H78 | 112.5° | 109.5° |
| C70 | C71 | H79 | 112.4° | 109.4° |
| H9 | N26 | H10 | 109.5° | 120.0° |
| H16 | C33 | O8 | 107.9° | 109.5° |
| H16 | C33 | H81 | 109.5° | 109.4° |
| H20 | C40 | H21 | 109.5° | 109.4° |
| H22 | C41 | H23 | 109.5° | 109.5° |
| H24 | C42 | H25 | 109.5° | 109.4° |
| H26 | C43 | H27 | 109.5° | 109.5° |
| H28 | C44 | H29 | 109.5° | 109.5° |
| H30 | C45 | H31 | 109.5° | 109.5° |
| H32 | C46 | H33 | 109.5° | 109.5° |
| H34 | C47 | H35 | 109.4° | 109.5° |
| H36 | C48 | H37 | 109.5° | 109.5° |
| H39 | C50 | H40 | 109.4° | 109.4° |
| H41 | C51 | H42 | 109.4° | 109.4° |
| H43 | C52 | H44 | 109.5° | 109.4° |
| H45 | C53 | H46 | 109.4° | 109.5° |
| H47 | C54 | H48 | 109.5° | 109.5° |
| H47 | C54 | H49 | 109.4° | 109.5° |
| H48 | C54 | H49 | 109.5° | 109.5° |
| H50 | C55 | H51 | 109.5° | 109.5° |
| H50 | C55 | H52 | 109.5° | 109.5° |
| H51 | C55 | H52 | 109.5° | 109.5° |
| H53 | C56 | H54 | 109.5° | 109.5° |
| H55 | C57 | H56 | 109.5° | 109.5° |
| H57 | C58 | H58 | 109.5° | 109.5° |
| H59 | C59 | H60 | 109.4° | 109.5° |
| H61 | C61 | H62 | 109.5° | 109.5° |
| H63 | C62 | H64 | 109.5° | 109.4° |
| H65 | C63 | H66 | 109.5° | 109.5° |
| H67 | C64 | H68 | 109.5° | 109.4° |
| H69 | C65 | H75 | 109.5° | 109.5° |
| H70 | C66 | H71 | 109.5° | 109.5° |
| H70 | C66 | H72 | 109.5° | 109.4° |
| H71 | C66 | H72 | 109.5° | 109.5° |
| H73 | C67 | H74 | 109.5° | 109.5° |
| H76 | C70 | H77 | 109.5° | 109.4° |
| H78 | C71 | H79 | 109.5° | 109.5° |
| O8 | C33 | H81 | 107.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C68 | O20 | C64 | 176.5° | 179.9° |
| S1 | C68 | C64 | C62 | 107.2° | 180.0° |
| C68 | S1 | C70 | C71 | 152.7° | 180.0° |
| S1 | C68 | C64 | H67 | 131.0° | 59.9° |
| S1 | C68 | C64 | H68 | 14.6° | 60.0° |
| C68 | S1 | C70 | H76 | 32.1° | 60.0° |
| C68 | S1 | C70 | H77 | 86.7° | 60.0° |
| C70 | S1 | C68 | O20 | 54.0° | 0.0° |
| S1 | C70 | C71 | N28 | 172.7° | 180.0° |
| C70 | S1 | C68 | C64 | 130.0° | 179.9° |
| S1 | C70 | C71 | H76 | 120.6° | 119.9° |
| S1 | C70 | C71 | H77 | 120.6° | 120.1° |
| S1 | C70 | H76 | H77 | 118.0° | 120.0° |
| S1 | C70 | C71 | H78 | 69.4° | 60.0° |
| S1 | C70 | C71 | H79 | 54.8° | 60.1° |
| O6 | P2 | O9 | O10 | 116.9° | 120.0° |
| O6 | P2 | O9 | O11 | 121.1° | 120.0° |
| O6 | P2 | O10 | O11 | 135.8° | 120.0° |
| P2 | O6 | C29 | C30 | 7.1° | 121.4° |
| P2 | O6 | C29 | C31 | 124.9° | 123.9° |
| O6 | P2 | O10 | H2 | 110.2° | 180.0° |
| O6 | P2 | O11 | H3 | 108.2° | 60.0° |
| P2 | O6 | C29 | H12 | 121.9° | 1.2° |
| O9 | P2 | O10 | O11 | 114.0° | 120.0° |
| O9 | P2 | O6 | C29 | 58.9° | 55.0° |
| O9 | P2 | O10 | H2 | 0.0° | 60.0° |
| O9 | P2 | O11 | H3 | 0.0° | 180.0° |
| O10 | P2 | O6 | C29 | 175.5° | 175.0° |
| O10 | P2 | O11 | H3 | 119.1° | 60.0° |
| O11 | P2 | O6 | C29 | 50.2° | 65.0° |
| O11 | P2 | O10 | H2 | 114.1° | 60.0° |
| O8 | P3 | O12 | O13 | 110.8° | 120.1° |
| O8 | P3 | O12 | O14 | 119.5° | 119.9° |
| O8 | P3 | O13 | O14 | 107.8° | 119.9° |
| O8 | P3 | O12 | P4 | 119.9° | 160.0° |
| P3 | O8 | C33 | C31 | 148.8° | 180.0° |
| O8 | P3 | O14 | H5 | 102.6° | 60.0° |
| P3 | O8 | C33 | H16 | 27.9° | 59.9° |
| P3 | O8 | C33 | H81 | 90.3° | 60.0° |
| O12 | P3 | O13 | O14 | 134.3° | 120.0° |
| P3 | O12 | P4 | O15 | 66.9° | 165.0° |
| P3 | O12 | P4 | O17 | 167.9° | 45.0° |
| P3 | O12 | P4 | O18 | 63.1° | 75.0° |
| O12 | P3 | O14 | H5 | 134.8° | 59.9° |
| O12 | P3 | O8 | C33 | 68.7° | 175.0° |
| O13 | P3 | O12 | P4 | 9.2° | 40.0° |
| O13 | P3 | O14 | H5 | 0.0° | 180.0° |
| O13 | P3 | O8 | C33 | 167.6° | 55.0° |
| O14 | P3 | O12 | P4 | 120.6° | 80.0° |
| O14 | P3 | O8 | C33 | 58.0° | 65.0° |
| O12 | P4 | O15 | O17 | 126.2° | 120.0° |
| O12 | P4 | O15 | O18 | 124.4° | 120.0° |
| O12 | P4 | O17 | O18 | 110.2° | 120.0° |
| O12 | P4 | O15 | C46 | 76.3° | 175.0° |
| O12 | P4 | O18 | H7 | 114.8° | 60.0° |
| O15 | P4 | O17 | O18 | 121.8° | 120.0° |
| P4 | O15 | C46 | C38 | 179.6° | 180.0° |
| O15 | P4 | O18 | H7 | 116.4° | 60.0° |
| P4 | O15 | C46 | H32 | 58.6° | 60.0° |
| P4 | O15 | C46 | H33 | 57.8° | 60.0° |
| O17 | P4 | O15 | C46 | 49.8° | 55.1° |
| O17 | P4 | O18 | H7 | 0.0° | 180.0° |
| O18 | P4 | O15 | C46 | 159.3° | 65.0° |
| O5 | C31 | C29 | O6 | 177.2° | 142.6° |
| C31 | O5 | C32 | N22 | 158.7° | 159.3° |
| O5 | C31 | C29 | C30 | 55.7° | 24.0° |
| O5 | C31 | C29 | C33 | 109.3° | 118.8° |
| O5 | C31 | C29 | H14 | 120.5° | 118.9° |
| C31 | O5 | C32 | C30 | 57.3° | 40.5° |
| O5 | C31 | C33 | H14 | 138.4° | 122.3° |
| O5 | C31 | C29 | H12 | 63.3° | 94.7° |
| C31 | O5 | C32 | H15 | 65.3° | 78.4° |
| O5 | C31 | C33 | H16 | 173.4° | 53.6° |
| O5 | C31 | C33 | O8 | 52.5° | 66.4° |
| O5 | C31 | C33 | H81 | 68.4° | 173.6° |
| O5 | C32 | C30 | O7 | 135.2° | 142.7° |
| O5 | C32 | N22 | C30 | 107.1° | 115.3° |
| O5 | C32 | N22 | H15 | 137.3° | 122.3° |
| O5 | C32 | N22 | C34 | 172.9° | 156.5° |
| O5 | C32 | N22 | C35 | 8.2° | 23.2° |
| O5 | C32 | C30 | C29 | 22.8° | 24.0° |
| C32 | O5 | C31 | C29 | 65.4° | 40.5° |
| O5 | C32 | C30 | H15 | 126.7° | 118.9° |
| C32 | O5 | C31 | C33 | 167.7° | 159.4° |
| O5 | C32 | C30 | H13 | 106.9° | 94.7° |
| C32 | O5 | C31 | H14 | 53.3° | 78.3° |
| O6 | C29 | C30 | O7 | 48.1° | 0.0° |
| O6 | C29 | C30 | C31 | 117.6° | 118.6° |
| O6 | C29 | C30 | H12 | 127.1° | 122.6° |
| O6 | C29 | C31 | H12 | 113.9° | 122.7° |
| O6 | C29 | C30 | C32 | 139.5° | 118.6° |
| O6 | C29 | C31 | C33 | 67.8° | 98.5° |
| O6 | C29 | C30 | H13 | 96.5° | 122.6° |
| O6 | C29 | C31 | H14 | 62.3° | 23.8° |
| O7 | C30 | C32 | N22 | 110.0° | 98.6° |
| O7 | C30 | C29 | C32 | 91.5° | 118.6° |
| O7 | C30 | C29 | H13 | 144.6° | 122.6° |
| O7 | C30 | C29 | C31 | 69.5° | 118.6° |
| O7 | C30 | C32 | H13 | 117.9° | 122.6° |
| O7 | C30 | C29 | H12 | 175.1° | 122.6° |
| O7 | C30 | C32 | H15 | 8.5° | 23.8° |
| O15 | C46 | C38 | H32 | 121.8° | 120.0° |
| O15 | C46 | C38 | H33 | 121.8° | 120.0° |
| O15 | C46 | C38 | C49 | 137.9° | 180.0° |
| O15 | C46 | C38 | C54 | 8.1° | 60.0° |
| O15 | C46 | C38 | C55 | 93.3° | 60.0° |
| O15 | C46 | H32 | H33 | 114.0° | 120.0° |
| O16 | C49 | C60 | O19 | 74.7° | 14.5° |
| O16 | C49 | C60 | N27 | 104.2° | 165.5° |
| O16 | C49 | C38 | C46 | 66.5° | 65.7° |
| O16 | C49 | C38 | C60 | 112.6° | 120.0° |
| O16 | C49 | C38 | H38 | 112.8° | 119.9° |
| O16 | C49 | C38 | C54 | 53.9° | 174.3° |
| O16 | C49 | C38 | C55 | 174.8° | 54.3° |
| O16 | C49 | C60 | H38 | 115.6° | 120.0° |
| O19 | C60 | N27 | C49 | 179.1° | 180.0° |
| O19 | C60 | N27 | C65 | 3.6° | 5.0° |
| O19 | C60 | C49 | C38 | 34.7° | 105.5° |
| O19 | C60 | C49 | H38 | 169.7° | 134.5° |
| O19 | C60 | N27 | H4 | 176.4° | 175.1° |
| O20 | C68 | C64 | C62 | 77.1° | 0.1° |
| O20 | C68 | C64 | H67 | 44.7° | 120.0° |
| O20 | C68 | C64 | H68 | 161.1° | 120.1° |
| O21 | C69 | N28 | C67 | 177.6° | 180.0° |
| O21 | C69 | N28 | C71 | 0.5° | 0.0° |
| O21 | C69 | C67 | C65 | 15.1° | 0.0° |
| O21 | C69 | N28 | H11 | 179.5° | 180.0° |
| O21 | C69 | C67 | H73 | 137.4° | 119.9° |
| O21 | C69 | C67 | H74 | 107.2° | 120.0° |
| C32 | N22 | C34 | C35 | 179.1° | 179.7° |
| C32 | N22 | C35 | N23 | 173.5° | 180.0° |
| C32 | N22 | C34 | N24 | 0.1° | 0.1° |
| N22 | C32 | C30 | C29 | 137.6° | 142.8° |
| N22 | C32 | C30 | H15 | 118.5° | 122.3° |
| C32 | N22 | C34 | C36 | 177.0° | 180.0° |
| N22 | C32 | C30 | H13 | 7.9° | 24.1° |
| C32 | N22 | C35 | H17 | 6.6° | 0.0° |
| C34 | N22 | C35 | N23 | 7.4° | 0.3° |
| N22 | C34 | C36 | N23 | 11.4° | 0.2° |
| N22 | C34 | N24 | C36 | 176.8° | 179.9° |
| N22 | C34 | N24 | C39 | 179.4° | 180.0° |
| C34 | N22 | C32 | C30 | 65.8° | 88.2° |
| N22 | C34 | C36 | C37 | 179.1° | 179.8° |
| C34 | N22 | C32 | H15 | 49.8° | 34.2° |
| C34 | N22 | C35 | H17 | 172.5° | 179.7° |
| N22 | C35 | N23 | H17 | 180.0° | 180.0° |
| N22 | C35 | N23 | C36 | 15.8° | 0.2° |
| C35 | N22 | C34 | N24 | 179.0° | 179.7° |
| C35 | N22 | C32 | C30 | 115.3° | 92.1° |
| C35 | N22 | C34 | C36 | 2.1° | 0.3° |
| C35 | N22 | C32 | H15 | 129.1° | 145.5° |
| C35 | N23 | C36 | C34 | 17.4° | 0.0° |
| C35 | N23 | C36 | C37 | 173.8° | 180.0° |
| N23 | C36 | C34 | N24 | 170.8° | 179.8° |
| N23 | C36 | C37 | N25 | 166.4° | 180.0° |
| N23 | C36 | C37 | N26 | 11.4° | 0.0° |
| N23 | C36 | C34 | C37 | 167.7° | 180.0° |
| C36 | N23 | C35 | H17 | 164.2° | 179.8° |
| C34 | N24 | C39 | N25 | 2.3° | 0.4° |
| N24 | C34 | C36 | C37 | 3.1° | 0.3° |
| C34 | N24 | C39 | H19 | 177.7° | 180.0° |
| N24 | C39 | N25 | C37 | 0.2° | 0.6° |
| N24 | C39 | N25 | H19 | 180.0° | 179.6° |
| C39 | N24 | C34 | C36 | 3.7° | 0.1° |
| N25 | C37 | N26 | C36 | 177.7° | 180.0° |
| N25 | C37 | C36 | C34 | 0.6° | 0.0° |
| N25 | C37 | N26 | H9 | 0.0° | 0.0° |
| N25 | C37 | N26 | H10 | 120.0° | 180.0° |
| C37 | N25 | C39 | H19 | 179.8° | 179.8° |
| C39 | N25 | C37 | N26 | 178.8° | 179.5° |
| C39 | N25 | C37 | C36 | 1.2° | 0.4° |
| N26 | C37 | C36 | C34 | 177.2° | 180.0° |
| C37 | N26 | H9 | H10 | 120.0° | 179.9° |
| C60 | N27 | C65 | H4 | 180.0° | 179.9° |
| N27 | C60 | C49 | C38 | 146.4° | 74.5° |
| C60 | N27 | C65 | C67 | 164.3° | 180.0° |
| N27 | C60 | C49 | H38 | 11.4° | 45.5° |
| C60 | N27 | C65 | H69 | 74.0° | 59.9° |
| C60 | N27 | C65 | H75 | 42.6° | 60.1° |
| C65 | N27 | C60 | C49 | 177.3° | 175.0° |
| N27 | C65 | C67 | H69 | 121.7° | 120.1° |
| N27 | C65 | C67 | H75 | 121.7° | 119.9° |
| N27 | C65 | C67 | C69 | 129.3° | 180.0° |
| N27 | C65 | H69 | H75 | 114.4° | 120.0° |
| N27 | C65 | C67 | H73 | 7.0° | 60.0° |
| N27 | C65 | C67 | H74 | 108.4° | 60.1° |
| C69 | N28 | C71 | H11 | 180.0° | 179.9° |
| N28 | C69 | C67 | C65 | 162.0° | 180.0° |
| C69 | N28 | C71 | C70 | 160.7° | 180.0° |
| N28 | C69 | C67 | H73 | 39.7° | 60.0° |
| N28 | C69 | C67 | H74 | 75.7° | 60.1° |
| C69 | N28 | C71 | H78 | 42.7° | 60.0° |
| C69 | N28 | C71 | H79 | 81.4° | 60.1° |
| C71 | N28 | C69 | C67 | 178.2° | 180.0° |
| N28 | C71 | C70 | H78 | 117.9° | 120.0° |
| N28 | C71 | C70 | H79 | 117.9° | 119.9° |
| N28 | C71 | C70 | H76 | 66.7° | 60.0° |
| N28 | C71 | C70 | H77 | 52.0° | 60.0° |
| N28 | C71 | H78 | H79 | 125.8° | 120.0° |
| C30 | C29 | C31 | H12 | 118.9° | 118.7° |
| C29 | C30 | C32 | H13 | 129.7° | 118.7° |
| C30 | C29 | C31 | C33 | 165.0° | 142.8° |
| C29 | C30 | O7 | H1 | 45.2° | 180.0° |
| C30 | C29 | C31 | H14 | 64.9° | 94.9° |
| C29 | C30 | C32 | H15 | 103.9° | 94.9° |
| C31 | C29 | C30 | C32 | 22.0° | 0.0° |
| C29 | C31 | C33 | H14 | 128.0° | 122.3° |
| C31 | C29 | C30 | H13 | 145.9° | 118.8° |
| C29 | C31 | C33 | H16 | 92.9° | 61.8° |
| C29 | C31 | C33 | O8 | 146.2° | 178.2° |
| C29 | C31 | C33 | H81 | 25.3° | 58.1° |
| C32 | C30 | O7 | H1 | 143.6° | 65.4° |
| C32 | C30 | C29 | H12 | 93.4° | 118.8° |
| C33 | C31 | C29 | H12 | 46.1° | 24.1° |
| C31 | C33 | H16 | O8 | 125.5° | 120.1° |
| C31 | C33 | H16 | H81 | 117.3° | 120.0° |
| C31 | C33 | O8 | H81 | 120.9° | 120.0° |
| C36 | C37 | N26 | H9 | 177.7° | 179.9° |
| C36 | C37 | N26 | H10 | 62.3° | 0.0° |
| C46 | C38 | C49 | C54 | 120.4° | 120.0° |
| C46 | C38 | C49 | C55 | 118.7° | 120.0° |
| C46 | C38 | C54 | C55 | 104.7° | 120.1° |
| C46 | C38 | C49 | C60 | 179.1° | 54.3° |
| C38 | C46 | H32 | H33 | 114.0° | 120.0° |
| C46 | C38 | C49 | H38 | 46.3° | 174.3° |
| C46 | C38 | C54 | H47 | 180.0° | 65.9° |
| C46 | C38 | C54 | H48 | 60.0° | 174.1° |
| C46 | C38 | C54 | H49 | 60.0° | 54.1° |
| C46 | C38 | C55 | H50 | 180.0° | 54.7° |
| C46 | C38 | C55 | H51 | 60.0° | 174.7° |
| C46 | C38 | C55 | H52 | 60.0° | 65.3° |
| C49 | C38 | C54 | C55 | 131.2° | 120.0° |
| C38 | C49 | C60 | H38 | 135.0° | 120.0° |
| C38 | C49 | O16 | H6 | 180.0° | 60.0° |
| C49 | C38 | C46 | H32 | 100.3° | 60.0° |
| C49 | C38 | C46 | H33 | 16.1° | 60.0° |
| C49 | C38 | C54 | H47 | 56.0° | 174.1° |
| C49 | C38 | C54 | H48 | 64.0° | 54.2° |
| C49 | C38 | C54 | H49 | 176.0° | 65.9° |
| C49 | C38 | C55 | H50 | 57.0° | 65.3° |
| C49 | C38 | C55 | H51 | 177.0° | 54.7° |
| C49 | C38 | C55 | H52 | 63.0° | 174.7° |
| C54 | C38 | C49 | C60 | 58.7° | 65.7° |
| C54 | C38 | C46 | H32 | 129.9° | 180.0° |
| C54 | C38 | C46 | H33 | 113.7° | 60.0° |
| C54 | C38 | C49 | H38 | 166.6° | 54.3° |
| C38 | C54 | H47 | H48 | 120.0° | 120.0° |
| C38 | C54 | H47 | H49 | 120.0° | 120.0° |
| C38 | C54 | H48 | H49 | 120.0° | 120.0° |
| C54 | C38 | C55 | H50 | 74.4° | 174.8° |
| C54 | C38 | C55 | H51 | 45.6° | 65.2° |
| C54 | C38 | C55 | H52 | 165.6° | 54.8° |
| C55 | C38 | C49 | C60 | 62.2° | 174.3° |
| C55 | C38 | C46 | H32 | 28.6° | 60.0° |
| C55 | C38 | C46 | H33 | 144.9° | 180.0° |
| C55 | C38 | C49 | H38 | 72.5° | 65.7° |
| C55 | C38 | C54 | H47 | 75.2° | 54.2° |
| C55 | C38 | C54 | H48 | 164.7° | 65.8° |
| C55 | C38 | C54 | H49 | 44.7° | 174.2° |
| C38 | C55 | H50 | H51 | 120.0° | 120.0° |
| C38 | C55 | H50 | H52 | 120.0° | 119.9° |
| C38 | C55 | H51 | H52 | 120.0° | 120.0° |
| C41 | C40 | C42 | H20 | 120.6° | 120.0° |
| C41 | C40 | C42 | H21 | 120.6° | 120.0° |
| C40 | C41 | C43 | H22 | 119.6° | 120.0° |
| C40 | C41 | C43 | H23 | 119.6° | 120.0° |
| C41 | C40 | C42 | C44 | 154.1° | 180.0° |
| C40 | C41 | C43 | C45 | 132.2° | 180.0° |
| C41 | C40 | H20 | H21 | 118.1° | 120.0° |
| C40 | C41 | H22 | H23 | 121.2° | 120.0° |
| C41 | C40 | C42 | H24 | 87.3° | 60.1° |
| C41 | C40 | C42 | H25 | 35.6° | 60.0° |
| C40 | C41 | C43 | H26 | 106.9° | 60.0° |
| C40 | C41 | C43 | H27 | 11.3° | 60.0° |
| C42 | C40 | C41 | C43 | 165.0° | 179.9° |
| C40 | C42 | C44 | H24 | 118.5° | 120.0° |
| C40 | C42 | C44 | H25 | 118.5° | 120.1° |
| C40 | C42 | C44 | C47 | 147.8° | 179.9° |
| C42 | C40 | H20 | H21 | 118.1° | 120.0° |
| C42 | C40 | C41 | H22 | 75.4° | 60.0° |
| C42 | C40 | C41 | H23 | 45.4° | 60.0° |
| C40 | C42 | H24 | H25 | 124.2° | 120.1° |
| C40 | C42 | C44 | H28 | 26.8° | 60.1° |
| C40 | C42 | C44 | H29 | 91.2° | 60.0° |
| C41 | C43 | C45 | H26 | 120.9° | 119.9° |
| C41 | C43 | C45 | H27 | 120.9° | 120.0° |
| C41 | C43 | C45 | C48 | 136.7° | 180.0° |
| C43 | C41 | C40 | H20 | 74.4° | 60.0° |
| C43 | C41 | C40 | H21 | 44.4° | 60.0° |
| C43 | C41 | H22 | H23 | 121.1° | 120.0° |
| C41 | C43 | H26 | H27 | 117.2° | 120.0° |
| C41 | C43 | C45 | H30 | 18.5° | 60.1° |
| C41 | C43 | C45 | H31 | 105.2° | 60.0° |
| C42 | C44 | C47 | H28 | 121.0° | 120.0° |
| C42 | C44 | C47 | H29 | 121.0° | 120.0° |
| C42 | C44 | C47 | C50 | 47.9° | 180.0° |
| C44 | C42 | C40 | H20 | 33.5° | 60.0° |
| C44 | C42 | C40 | H21 | 85.3° | 60.0° |
| C44 | C42 | H24 | H25 | 124.2° | 120.0° |
| C42 | C44 | H28 | H29 | 116.8° | 120.0° |
| C42 | C44 | C47 | H34 | 71.9° | 60.0° |
| C42 | C44 | C47 | H35 | 167.6° | 60.1° |
| C43 | C45 | C48 | H30 | 118.2° | 120.0° |
| C43 | C45 | C48 | H31 | 118.2° | 120.1° |
| C43 | C45 | C48 | C51 | 155.7° | 180.0° |
| C45 | C43 | C41 | H22 | 12.6° | 60.0° |
| C45 | C43 | C41 | H23 | 108.2° | 60.0° |
| C45 | C43 | H26 | H27 | 117.2° | 120.0° |
| C43 | C45 | H30 | H31 | 125.1° | 120.1° |
| C43 | C45 | C48 | H36 | 35.3° | 60.0° |
| C43 | C45 | C48 | H37 | 83.8° | 60.0° |
| C44 | C47 | C50 | H34 | 119.8° | 120.0° |
| C44 | C47 | C50 | H35 | 119.8° | 120.0° |
| C44 | C47 | C50 | C52 | 163.4° | 180.0° |
| C47 | C44 | C42 | H24 | 93.7° | 60.0° |
| C47 | C44 | C42 | H25 | 29.3° | 60.0° |
| C47 | C44 | H28 | H29 | 116.7° | 120.0° |
| C44 | C47 | H34 | H35 | 120.7° | 120.0° |
| C44 | C47 | C50 | H39 | 44.2° | 60.0° |
| C44 | C47 | C50 | H40 | 77.4° | 60.0° |
| C45 | C48 | C51 | H36 | 120.4° | 120.0° |
| C45 | C48 | C51 | H37 | 120.4° | 120.0° |
| C45 | C48 | C51 | C53 | 152.0° | 180.0° |
| C48 | C45 | C43 | H26 | 102.4° | 60.1° |
| C48 | C45 | C43 | H27 | 15.7° | 60.0° |
| C48 | C45 | H30 | H31 | 125.1° | 120.0° |
| C45 | C48 | H36 | H37 | 118.7° | 120.0° |
| C45 | C48 | C51 | H41 | 87.8° | 60.0° |
| C45 | C48 | C51 | H42 | 31.8° | 60.0° |
| C47 | C50 | C52 | H39 | 119.2° | 120.0° |
| C47 | C50 | C52 | H40 | 119.2° | 120.0° |
| C47 | C50 | C52 | C56 | 178.7° | 180.0° |
| C50 | C47 | C44 | H28 | 168.9° | 60.0° |
| C50 | C47 | C44 | H29 | 73.2° | 60.0° |
| C50 | C47 | H34 | H35 | 120.6° | 119.9° |
| C47 | C50 | H39 | H40 | 122.4° | 120.0° |
| C47 | C50 | C52 | H43 | 60.7° | 60.0° |
| C47 | C50 | C52 | H44 | 58.2° | 60.0° |
| C48 | C51 | C53 | H41 | 120.2° | 120.0° |
| C48 | C51 | C53 | H42 | 120.2° | 120.0° |
| C48 | C51 | C53 | C57 | 93.5° | 180.0° |
| C51 | C48 | C45 | H30 | 86.1° | 60.0° |
| C51 | C48 | C45 | H31 | 37.5° | 60.0° |
| C51 | C48 | H36 | H37 | 118.7° | 120.0° |
| C48 | C51 | H41 | H42 | 119.5° | 120.0° |
| C48 | C51 | C53 | H45 | 145.8° | 60.0° |
| C48 | C51 | C53 | H46 | 27.3° | 60.0° |
| C60 | C49 | O16 | H6 | 42.9° | 60.0° |
| C49 | C60 | N27 | H4 | 2.7° | 4.9° |
| C50 | C52 | C56 | H43 | 120.5° | 120.0° |
| C50 | C52 | C56 | H44 | 120.5° | 120.1° |
| C50 | C52 | C56 | C58 | 143.5° | 180.0° |
| C52 | C50 | C47 | H34 | 76.8° | 60.0° |
| C52 | C50 | C47 | H35 | 43.6° | 60.0° |
| C52 | C50 | H39 | H40 | 122.4° | 120.0° |
| C50 | C52 | H43 | H44 | 118.3° | 120.0° |
| C50 | C52 | C56 | H53 | 95.8° | 60.0° |
| C50 | C52 | C56 | H54 | 22.9° | 60.0° |
| C51 | C53 | C57 | H45 | 120.7° | 120.0° |
| C51 | C53 | C57 | H46 | 120.7° | 120.0° |
| C51 | C53 | C57 | C59 | 141.7° | 180.0° |
| C53 | C51 | C48 | H36 | 31.5° | 60.0° |
| C53 | C51 | C48 | H37 | 87.6° | 60.0° |
| C53 | C51 | H41 | H42 | 119.4° | 119.9° |
| C51 | C53 | H45 | H46 | 117.8° | 120.0° |
| C51 | C53 | C57 | H55 | 98.2° | 60.0° |
| C51 | C53 | C57 | H56 | 21.6° | 60.0° |
| C52 | C56 | C58 | H53 | 120.7° | 120.0° |
| C52 | C56 | C58 | H54 | 120.7° | 120.0° |
| C52 | C56 | C58 | C61 | 172.2° | 180.0° |
| C56 | C52 | C50 | H39 | 59.5° | 60.0° |
| C56 | C52 | C50 | H40 | 62.1° | 60.0° |
| C56 | C52 | H43 | H44 | 118.3° | 120.0° |
| C52 | C56 | H53 | H54 | 118.0° | 120.0° |
| C52 | C56 | C58 | H57 | 67.8° | 60.0° |
| C52 | C56 | C58 | H58 | 52.1° | 60.0° |
| C53 | C57 | C59 | H55 | 120.1° | 120.0° |
| C53 | C57 | C59 | H56 | 120.1° | 120.0° |
| C53 | C57 | C59 | C62 | 122.7° | 180.0° |
| C57 | C53 | C51 | H41 | 26.7° | 60.0° |
| C57 | C53 | C51 | H42 | 146.3° | 60.0° |
| C57 | C53 | H45 | H46 | 117.9° | 120.1° |
| C53 | C57 | H55 | H56 | 119.7° | 120.0° |
| C53 | C57 | C59 | H59 | 117.3° | 60.0° |
| C53 | C57 | C59 | H60 | 2.6° | 59.9° |
| C56 | C58 | C61 | H57 | 120.1° | 120.0° |
| C56 | C58 | C61 | H58 | 120.1° | 120.0° |
| C56 | C58 | C61 | C63 | 131.1° | 180.0° |
| C58 | C56 | C52 | H43 | 23.0° | 60.0° |
| C58 | C56 | C52 | H44 | 96.0° | 59.9° |
| C58 | C56 | H53 | H54 | 117.9° | 120.0° |
| C56 | C58 | H57 | H58 | 119.8° | 120.0° |
| C56 | C58 | C61 | H61 | 11.4° | 60.0° |
| C56 | C58 | C61 | H62 | 109.1° | 60.0° |
| C57 | C59 | C62 | H59 | 120.0° | 120.0° |
| C57 | C59 | C62 | H60 | 120.1° | 120.0° |
| C57 | C59 | C62 | C64 | 89.9° | 180.0° |
| C59 | C57 | C53 | H45 | 21.0° | 60.1° |
| C59 | C57 | C53 | H46 | 97.6° | 60.0° |
| C59 | C57 | H55 | H56 | 119.7° | 120.0° |
| C57 | C59 | H59 | H60 | 119.8° | 120.0° |
| C57 | C59 | C62 | H63 | 29.9° | 60.0° |
| C57 | C59 | C62 | H64 | 150.3° | 60.0° |
| C58 | C61 | C63 | H61 | 119.7° | 120.0° |
| C58 | C61 | C63 | H62 | 119.7° | 120.0° |
| C58 | C61 | C63 | C66 | 174.3° | 180.0° |
| C61 | C58 | C56 | H53 | 51.5° | 60.0° |
| C61 | C58 | C56 | H54 | 67.2° | 60.0° |
| C61 | C58 | H57 | H58 | 119.8° | 120.0° |
| C58 | C61 | H61 | H62 | 120.8° | 120.0° |
| C58 | C61 | C63 | H65 | 65.5° | 60.0° |
| C58 | C61 | C63 | H66 | 54.0° | 60.0° |
| C59 | C62 | C64 | H63 | 119.8° | 120.0° |
| C59 | C62 | C64 | H64 | 119.8° | 120.0° |
| C59 | C62 | C64 | C68 | 176.7° | 180.0° |
| C62 | C59 | C57 | H55 | 2.5° | 60.0° |
| C62 | C59 | C57 | H56 | 117.2° | 60.0° |
| C62 | C59 | H59 | H60 | 119.9° | 120.0° |
| C59 | C62 | H63 | H64 | 120.5° | 119.9° |
| C59 | C62 | C64 | H67 | 54.9° | 59.9° |
| C59 | C62 | C64 | H68 | 61.5° | 60.0° |
| C61 | C63 | C66 | H65 | 120.3° | 120.0° |
| C61 | C63 | C66 | H66 | 120.3° | 120.0° |
| C63 | C61 | C58 | H57 | 108.8° | 60.0° |
| C63 | C61 | C58 | H58 | 11.1° | 60.1° |
| C63 | C61 | H61 | H62 | 120.8° | 120.0° |
| C61 | C63 | H65 | H66 | 119.2° | 120.0° |
| C61 | C63 | C66 | H70 | 180.0° | 60.0° |
| C61 | C63 | C66 | H71 | 60.0° | 60.0° |
| C61 | C63 | C66 | H72 | 60.0° | 180.0° |
| C62 | C64 | C68 | H67 | 121.8° | 120.1° |
| C62 | C64 | C68 | H68 | 121.8° | 120.0° |
| C64 | C62 | C59 | H59 | 150.1° | 60.0° |
| C64 | C62 | C59 | H60 | 30.2° | 60.0° |
| C64 | C62 | H63 | H64 | 120.6° | 120.0° |
| C62 | C64 | H67 | H68 | 114.1° | 120.0° |
| C66 | C63 | C61 | H61 | 54.5° | 60.0° |
| C66 | C63 | C61 | H62 | 66.0° | 60.0° |
| C66 | C63 | H65 | H66 | 119.2° | 120.0° |
| C63 | C66 | H70 | H71 | 120.0° | 120.0° |
| C63 | C66 | H70 | H72 | 120.0° | 120.0° |
| C63 | C66 | H71 | H72 | 120.0° | 120.0° |
| C68 | C64 | C62 | H63 | 63.5° | 60.0° |
| C68 | C64 | C62 | H64 | 56.9° | 60.0° |
| C68 | C64 | H67 | H68 | 114.2° | 119.9° |
| C65 | C67 | C69 | H73 | 122.3° | 120.0° |
| C65 | C67 | C69 | H74 | 122.3° | 119.9° |
| C67 | C65 | H69 | H75 | 114.4° | 120.0° |
| C65 | C67 | H73 | H74 | 112.3° | 120.0° |
| C67 | C65 | N27 | H4 | 15.7° | 0.1° |
| C67 | C69 | N28 | H11 | 1.8° | 0.1° |
| C69 | C67 | C65 | H69 | 109.0° | 60.0° |
| C69 | C67 | H73 | H74 | 112.2° | 120.1° |
| C69 | C67 | C65 | H75 | 7.6° | 60.0° |
| C70 | C71 | N28 | H11 | 19.4° | 0.1° |
| C71 | C70 | H76 | H77 | 118.0° | 120.0° |
| C70 | C71 | H78 | H79 | 125.8° | 120.0° |
| H1 | O7 | C30 | H13 | 101.4° | 57.3° |
| H6 | O16 | C49 | H38 | 69.7° | 179.9° |
| H11 | N28 | C71 | H78 | 137.3° | 119.9° |
| H11 | N28 | C71 | H79 | 98.6° | 120.0° |
| H12 | C29 | C30 | H13 | 30.5° | 0.0° |
| H12 | C29 | C31 | H14 | 176.2° | 146.4° |
| H13 | C30 | C32 | H15 | 126.4° | 146.4° |
| H14 | C31 | C33 | H16 | 35.0° | 175.9° |
| H14 | C31 | C33 | O8 | 85.8° | 55.8° |
| H14 | C31 | C33 | H81 | 153.3° | 64.2° |
| H16 | C33 | O8 | H81 | 118.2° | 119.9° |
| H20 | C40 | C41 | H22 | 45.2° | 60.0° |
| H20 | C40 | C41 | H23 | 166.0° | 180.0° |
| H20 | C40 | C42 | H24 | 152.1° | 180.0° |
| H20 | C40 | C42 | H25 | 85.0° | 60.0° |
| H21 | C40 | C41 | H22 | 164.0° | 180.0° |
| H21 | C40 | C41 | H23 | 75.2° | 60.0° |
| H21 | C40 | C42 | H24 | 33.3° | 60.0° |
| H21 | C40 | C42 | H25 | 156.2° | 180.0° |
| H22 | C41 | C43 | H26 | 133.5° | 180.0° |
| H22 | C41 | C43 | H27 | 108.3° | 60.0° |
| H23 | C41 | C43 | H26 | 12.8° | 60.0° |
| H23 | C41 | C43 | H27 | 130.9° | NaN° |
| H24 | C42 | C44 | H28 | 145.3° | 180.0° |
| H24 | C42 | C44 | H29 | 27.3° | 60.0° |
| H25 | C42 | C44 | H28 | 91.8° | 60.0° |
| H25 | C42 | C44 | H29 | 150.3° | 180.0° |
| H26 | C43 | C45 | H30 | 139.4° | NaN° |
| H26 | C43 | C45 | H31 | 15.7° | 59.9° |
| H27 | C43 | C45 | H30 | 102.4° | 60.0° |
| H27 | C43 | C45 | H31 | 133.9° | 180.0° |
| H28 | C44 | C47 | H34 | 49.1° | 180.0° |
| H28 | C44 | C47 | H35 | 71.3° | 60.0° |
| H29 | C44 | C47 | H34 | 167.0° | 60.0° |
| H29 | C44 | C47 | H35 | 46.6° | 179.9° |
| H30 | C45 | C48 | H36 | 153.5° | 180.0° |
| H30 | C45 | C48 | H37 | 34.3° | 60.0° |
| H31 | C45 | C48 | H36 | 82.9° | 60.0° |
| H31 | C45 | C48 | H37 | 158.0° | 180.0° |
| H34 | C47 | C50 | H39 | 164.0° | 180.0° |
| H34 | C47 | C50 | H40 | 42.4° | 60.0° |
| H35 | C47 | C50 | H39 | 75.6° | 60.0° |
| H35 | C47 | C50 | H40 | 162.8° | 180.0° |
| H36 | C48 | C51 | H41 | 151.7° | 180.0° |
| H36 | C48 | C51 | H42 | 88.7° | 60.0° |
| H37 | C48 | C51 | H41 | 32.6° | 60.0° |
| H37 | C48 | C51 | H42 | 152.2° | 180.0° |
| H39 | C50 | C52 | H43 | 179.9° | 180.0° |
| H39 | C50 | C52 | H44 | 61.0° | 60.0° |
| H40 | C50 | C52 | H43 | 58.5° | 60.0° |
| H40 | C50 | C52 | H44 | 177.4° | 180.0° |
| H41 | C51 | C53 | H45 | 94.0° | 180.0° |
| H41 | C51 | C53 | H46 | 147.4° | 60.0° |
| H42 | C51 | C53 | H45 | 25.6° | 60.0° |
| H42 | C51 | C53 | H46 | 93.0° | 180.0° |
| H43 | C52 | C56 | H53 | 143.6° | 180.0° |
| H43 | C52 | C56 | H54 | 97.7° | 60.0° |
| H44 | C52 | C56 | H53 | 24.7° | 60.1° |
| H44 | C52 | C56 | H54 | 143.4° | 179.9° |
| H45 | C53 | C57 | H55 | 141.1° | 180.0° |
| H45 | C53 | C57 | H56 | 99.1° | 60.0° |
| H46 | C53 | C57 | H55 | 22.5° | 60.0° |
| H46 | C53 | C57 | H56 | 142.3° | 180.0° |
| H47 | C54 | H48 | H49 | 120.0° | 120.0° |
| H50 | C55 | H51 | H52 | 120.0° | 120.0° |
| H53 | C56 | C58 | H57 | 171.6° | NaN° |
| H53 | C56 | C58 | H58 | 68.6° | 60.0° |
| H54 | C56 | C58 | H57 | 52.9° | 60.0° |
| H54 | C56 | C58 | H58 | 172.8° | 180.0° |
| H55 | C57 | C59 | H59 | 122.6° | 180.0° |
| H55 | C57 | C59 | H60 | 117.5° | 60.0° |
| H56 | C57 | C59 | H59 | 2.8° | 60.0° |
| H56 | C57 | C59 | H60 | 122.7° | 180.0° |
| H57 | C58 | C61 | H61 | 131.5° | NaN° |
| H57 | C58 | C61 | H62 | 10.9° | 60.0° |
| H58 | C58 | C61 | H61 | 108.7° | 60.0° |
| H58 | C58 | C61 | H62 | 130.8° | 180.0° |
| H59 | C59 | C62 | H63 | 90.1° | 179.9° |
| H59 | C59 | C62 | H64 | 30.3° | 60.0° |
| H60 | C59 | C62 | H63 | 150.0° | 60.0° |
| H60 | C59 | C62 | H64 | 89.6° | 180.0° |
| H61 | C61 | C63 | H65 | 174.8° | NaN° |
| H61 | C61 | C63 | H66 | 65.7° | 60.0° |
| H62 | C61 | C63 | H65 | 54.3° | 60.0° |
| H62 | C61 | C63 | H66 | 173.7° | 180.0° |
| H63 | C62 | C64 | H67 | 174.7° | 180.0° |
| H63 | C62 | C64 | H68 | 58.3° | 60.0° |
| H64 | C62 | C64 | H67 | 64.9° | 60.0° |
| H64 | C62 | C64 | H68 | 178.7° | 180.0° |
| H65 | C63 | C66 | H70 | 59.8° | 180.0° |
| H65 | C63 | C66 | H71 | 179.7° | 60.0° |
| H65 | C63 | C66 | H72 | 60.2° | 60.0° |
| H66 | C63 | C66 | H70 | 59.7° | 60.0° |
| H66 | C63 | C66 | H71 | 60.3° | 180.0° |
| H66 | C63 | C66 | H72 | 179.7° | 60.0° |
| H69 | C65 | C67 | H73 | 128.7° | 180.0° |
| H69 | C65 | C67 | H74 | 13.3° | 60.0° |
| H69 | C65 | N27 | H4 | 106.0° | 120.0° |
| H70 | C66 | H71 | H72 | 120.0° | 119.9° |
| H73 | C67 | C65 | H75 | 114.7° | 60.0° |
| H74 | C67 | C65 | H75 | 129.9° | 180.0° |
| H76 | C70 | C71 | H78 | 51.2° | 60.0° |
| H76 | C70 | C71 | H79 | 175.4° | 180.0° |
| H77 | C70 | C71 | H78 | 170.0° | 179.9° |
| H77 | C70 | C71 | H79 | 65.9° | 60.0° |
| H4 | N27 | C65 | H75 | 137.4° | 120.0° |
