BFV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | N2 | sing | 1.47Å | 1.48Å | |
| O92 | S90 | doub | 1.42Å | 1.43Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C24 | sing | 1.51Å | 1.50Å | |
| C13 | N2 | sing | 1.47Å | 1.49Å | |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| C31 | N32 | sing | 1.47Å | 1.48Å | |
| C4 | O5 | sing | 1.43Å | 1.45Å | |
| N2 | C1 | sing | 1.47Å | 1.46Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C17 | N19 | sing | 1.46Å | 1.46Å | |
| O5 | C6 | sing | 1.43Å | 1.45Å | |
| C24 | N19 | sing | 1.35Å | 1.35Å | Aromatic |
| C24 | C23 | doub | 1.36Å | 1.36Å | Aromatic |
| S90 | N32 | sing | 1.66Å | 1.62Å | |
| S90 | C94 | sing | 1.81Å | 1.75Å | |
| S90 | O96 | doub | 1.42Å | 1.43Å | |
| N32 | C33 | sing | 1.47Å | 1.47Å | |
| N19 | N21 | sing | 1.40Å | 1.37Å | Aromatic |
| C6 | C1 | sing | 1.53Å | 1.51Å | |
| C23 | C33 | sing | 1.51Å | 1.47Å | |
| C23 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | C39 | sing | 1.48Å | 1.48Å | |
| C39 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C39 | C45 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C82 | C81 | doub | 1.38Å | 1.38Å | Aromatic |
| C82 | C83 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C44 | doub | 1.40Å | 1.40Å | Aromatic |
| C81 | C80 | sing | 1.38Å | 1.38Å | Aromatic |
| C83 | C77 | doub | 1.38Å | 1.39Å | Aromatic |
| C80 | C79 | doub | 1.38Å | 1.39Å | Aromatic |
| C77 | C79 | sing | 1.38Å | 1.39Å | Aromatic |
| C77 | C75 | sing | 1.51Å | 1.52Å | |
| C42 | C43 | doub | 1.38Å | 1.38Å | Aromatic |
| C44 | C43 | sing | 1.40Å | 1.39Å | Aromatic |
| C44 | C54 | sing | 1.43Å | 1.43Å | |
| C75 | N73 | sing | 1.47Å | 1.46Å | |
| N73 | C71 | sing | 1.47Å | 1.46Å | |
| C43 | CL52 | sing | 1.74Å | 1.75Å | |
| C54 | C56 | trip | 1.17Å | 1.19Å | |
| C56 | C58 | sing | 1.43Å | 1.43Å | |
| C60 | C58 | doub | 1.40Å | 1.39Å | Aromatic |
| C60 | C61 | sing | 1.38Å | 1.39Å | Aromatic |
| C71 | C61 | sing | 1.51Å | 1.51Å | |
| C58 | C64 | sing | 1.40Å | 1.39Å | Aromatic |
| C61 | C62 | doub | 1.38Å | 1.39Å | Aromatic |
| C64 | C63 | doub | 1.38Å | 1.38Å | Aromatic |
| C62 | C63 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C41 | H19 | sing | 1.08Å | 1.08Å | |
| C42 | H20 | sing | 1.08Å | 1.08Å | |
| C45 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C60 | H24 | sing | 1.08Å | 1.08Å | |
| C62 | H25 | sing | 1.08Å | 1.08Å | |
| C63 | H26 | sing | 1.08Å | 1.08Å | |
| C64 | H27 | sing | 1.08Å | 1.08Å | |
| C71 | H28 | sing | 1.09Å | 1.10Å | |
| C71 | H29 | sing | 1.09Å | 1.10Å | |
| C75 | H30 | sing | 1.09Å | 1.10Å | |
| C75 | H31 | sing | 1.09Å | 1.10Å | |
| C79 | H32 | sing | 1.08Å | 1.08Å | |
| C80 | H33 | sing | 1.08Å | 1.08Å | |
| C81 | H34 | sing | 1.08Å | 1.08Å | |
| C82 | H35 | sing | 1.08Å | 1.08Å | |
| C83 | H36 | sing | 1.08Å | 1.08Å | |
| C94 | H37 | sing | 1.09Å | 1.10Å | |
| C94 | H38 | sing | 1.09Å | 1.10Å | |
| C94 | H39 | sing | 1.09Å | 1.10Å | |
| N73 | H41 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | N2 | 110.3° | 109.2° |
| C3 | C4 | O5 | 111.6° | 109.3° |
| C4 | C3 | H9 | 109.2° | 109.5° |
| C4 | C3 | H10 | 109.3° | 109.5° |
| C3 | C4 | H17 | 108.9° | 109.5° |
| C3 | C4 | H18 | 108.9° | 109.5° |
| C3 | N2 | C13 | 112.6° | 111.0° |
| C3 | N2 | C1 | 109.6° | 110.8° |
| N2 | C3 | H9 | 109.3° | 109.5° |
| N2 | C3 | H10 | 109.3° | 109.5° |
| O92 | S90 | N32 | 107.2° | 104.3° |
| O92 | S90 | C94 | 108.4° | 110.5° |
| O92 | S90 | O96 | 118.8° | 121.0° |
| C31 | C30 | C24 | 109.6° | 108.8° |
| C30 | C31 | N32 | 109.3° | 109.2° |
| C31 | C30 | H11 | 109.4° | 109.6° |
| C31 | C30 | H12 | 109.4° | 109.6° |
| C30 | C31 | H13 | 109.5° | 109.5° |
| C30 | C31 | H14 | 109.5° | 109.5° |
| C30 | C24 | N19 | 127.2° | 127.7° |
| C30 | C24 | C23 | 125.3° | 124.4° |
| C24 | C30 | H11 | 109.5° | 109.5° |
| C24 | C30 | H12 | 109.4° | 109.5° |
| N2 | C13 | C15 | 114.1° | 109.5° |
| C13 | N2 | C1 | 111.9° | 111.0° |
| N2 | C13 | H3 | 108.3° | 109.5° |
| N2 | C13 | H4 | 108.3° | 109.5° |
| C13 | C15 | C17 | 114.8° | 109.5° |
| C15 | C13 | H3 | 108.3° | 109.5° |
| C15 | C13 | H4 | 108.3° | 109.4° |
| C13 | C15 | H5 | 108.1° | 109.4° |
| C13 | C15 | H6 | 108.1° | 109.5° |
| C31 | N32 | S90 | 117.2° | 120.9° |
| C31 | N32 | C33 | 113.6° | 118.5° |
| N32 | C31 | H13 | 109.5° | 109.5° |
| N32 | C31 | H14 | 109.5° | 109.5° |
| C4 | O5 | C6 | 110.4° | 113.8° |
| O5 | C4 | H17 | 108.9° | 109.5° |
| O5 | C4 | H18 | 108.9° | 109.5° |
| N2 | C1 | C6 | 110.1° | 109.3° |
| N2 | C1 | H1 | 109.3° | 109.5° |
| N2 | C1 | H2 | 109.3° | 109.5° |
| C15 | C17 | N19 | 113.4° | 109.5° |
| C17 | C15 | H5 | 108.1° | 109.5° |
| C17 | C15 | H6 | 108.1° | 109.5° |
| C15 | C17 | H7 | 108.5° | 109.5° |
| C15 | C17 | H8 | 108.5° | 109.5° |
| C17 | N19 | C24 | 128.9° | 125.9° |
| C17 | N19 | N21 | 119.3° | 126.0° |
| N19 | C17 | H7 | 108.5° | 109.5° |
| N19 | C17 | H8 | 108.5° | 109.4° |
| O5 | C6 | C1 | 112.0° | 109.3° |
| O5 | C6 | H22 | 108.8° | 109.5° |
| O5 | C6 | H23 | 108.8° | 109.6° |
| N19 | C24 | C23 | 107.5° | 107.9° |
| C24 | N19 | N21 | 111.9° | 108.1° |
| C24 | C23 | C33 | 122.5° | 123.9° |
| C24 | C23 | C22 | 105.3° | 108.1° |
| N32 | S90 | C94 | 107.3° | 104.5° |
| N32 | S90 | O96 | 106.0° | 104.3° |
| S90 | N32 | C33 | 120.5° | 120.6° |
| C94 | S90 | O96 | 108.6° | 110.6° |
| S90 | C94 | H37 | 109.5° | 109.5° |
| S90 | C94 | H38 | 109.5° | 109.4° |
| S90 | C94 | H39 | 109.5° | 109.4° |
| N32 | C33 | C23 | 104.8° | 107.3° |
| N32 | C33 | H15 | 110.6° | 109.8° |
| N32 | C33 | H16 | 110.6° | 110.0° |
| N19 | N21 | C22 | 104.1° | 108.2° |
| C6 | C1 | H1 | 109.3° | 109.5° |
| C6 | C1 | H2 | 109.3° | 109.5° |
| C1 | C6 | H22 | 108.8° | 109.5° |
| C1 | C6 | H23 | 108.8° | 109.5° |
| C33 | C23 | C22 | 132.3° | 128.0° |
| C23 | C33 | H15 | 110.6° | 109.9° |
| C23 | C33 | H16 | 110.6° | 109.9° |
| C23 | C22 | N21 | 111.2° | 107.8° |
| C23 | C22 | C39 | 129.5° | 126.1° |
| N21 | C22 | C39 | 119.2° | 126.1° |
| C22 | C39 | C41 | 119.6° | 120.0° |
| C22 | C39 | C45 | 121.0° | 120.0° |
| C41 | C39 | C45 | 119.4° | 120.0° |
| C39 | C41 | C42 | 120.5° | 120.2° |
| C39 | C41 | H19 | 119.7° | 119.9° |
| C39 | C45 | C44 | 120.5° | 119.7° |
| C39 | C45 | H21 | 119.8° | 120.1° |
| C41 | C42 | C43 | 119.7° | 120.3° |
| C42 | C41 | H19 | 119.7° | 120.0° |
| C41 | C42 | H20 | 120.1° | 119.8° |
| C81 | C82 | C83 | 120.2° | 120.0° |
| C82 | C81 | C80 | 119.6° | 120.0° |
| C82 | C81 | H34 | 120.2° | 120.0° |
| C81 | C82 | H35 | 119.9° | 120.0° |
| C82 | C83 | C77 | 120.8° | 120.0° |
| C83 | C82 | H35 | 119.9° | 120.0° |
| C82 | C83 | H36 | 119.6° | 120.0° |
| C45 | C44 | C43 | 118.5° | 119.7° |
| C45 | C44 | C54 | 120.2° | 120.1° |
| C44 | C45 | H21 | 119.7° | 120.1° |
| C81 | C80 | C79 | 120.4° | 120.0° |
| C81 | C80 | H33 | 119.8° | 120.0° |
| C80 | C81 | H34 | 120.2° | 120.0° |
| C83 | C77 | C79 | 118.4° | 120.0° |
| C83 | C77 | C75 | 120.8° | 120.0° |
| C77 | C83 | H36 | 119.6° | 120.0° |
| C80 | C79 | C77 | 120.7° | 120.0° |
| C80 | C79 | H32 | 119.6° | 120.0° |
| C79 | C80 | H33 | 119.8° | 120.0° |
| C79 | C77 | C75 | 120.8° | 120.0° |
| C77 | C79 | H32 | 119.7° | 120.0° |
| C77 | C75 | N73 | 112.9° | 109.5° |
| C77 | C75 | H30 | 108.6° | 109.5° |
| C77 | C75 | H31 | 108.6° | 109.5° |
| C42 | C43 | C44 | 121.3° | 120.1° |
| C42 | C43 | CL52 | 119.3° | 119.9° |
| C43 | C42 | H20 | 120.1° | 119.9° |
| C43 | C44 | C54 | 121.3° | 120.1° |
| C44 | C43 | CL52 | 119.4° | 120.0° |
| C44 | C54 | C56 | 176.6° | 179.9° |
| C75 | N73 | C71 | 112.2° | 111.0° |
| N73 | C75 | H30 | 108.6° | 109.5° |
| N73 | C75 | H31 | 108.6° | 109.5° |
| C75 | N73 | H41 | 108.8° | 111.1° |
| N73 | C71 | C61 | 112.4° | 109.5° |
| N73 | C71 | H28 | 108.7° | 109.5° |
| N73 | C71 | H29 | 108.7° | 109.5° |
| C71 | N73 | H41 | 108.8° | 111.0° |
| C54 | C56 | C58 | 176.7° | 179.9° |
| C56 | C58 | C60 | 119.6° | 120.2° |
| C56 | C58 | C64 | 120.5° | 120.1° |
| C58 | C60 | C61 | 120.5° | 119.9° |
| C60 | C58 | C64 | 120.0° | 119.6° |
| C58 | C60 | H24 | 119.8° | 120.1° |
| C60 | C61 | C71 | 120.0° | 119.9° |
| C60 | C61 | C62 | 118.8° | 120.2° |
| C61 | C60 | H24 | 119.8° | 120.1° |
| C71 | C61 | C62 | 121.1° | 119.9° |
| C61 | C71 | H28 | 108.7° | 109.5° |
| C61 | C71 | H29 | 108.7° | 109.5° |
| C58 | C64 | C63 | 119.7° | 119.8° |
| C58 | C64 | H27 | 120.1° | 120.1° |
| C61 | C62 | C63 | 120.9° | 120.3° |
| C61 | C62 | H25 | 119.6° | 119.9° |
| C64 | C63 | C62 | 120.1° | 120.2° |
| C64 | C63 | H26 | 119.9° | 119.9° |
| C63 | C64 | H27 | 120.1° | 120.1° |
| C63 | C62 | H25 | 119.5° | 119.8° |
| C62 | C63 | H26 | 119.9° | 119.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.4° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H11 | C30 | H12 | 109.5° | 109.7° |
| H13 | C31 | H14 | 109.5° | 109.5° |
| H15 | C33 | H16 | 109.5° | 109.8° |
| H17 | C4 | H18 | 109.5° | 109.6° |
| H22 | C6 | H23 | 109.4° | 109.4° |
| H28 | C71 | H29 | 109.5° | 109.4° |
| H30 | C75 | H31 | 109.5° | 109.4° |
| H37 | C94 | H38 | 109.5° | 109.5° |
| H37 | C94 | H39 | 109.5° | 109.5° |
| H38 | C94 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | N2 | H9 | 120.1° | 120.0° |
| C4 | C3 | N2 | H10 | 120.1° | 119.9° |
| C4 | C3 | N2 | C13 | 151.1° | 177.6° |
| C3 | C4 | O5 | H17 | 120.3° | 119.9° |
| C3 | C4 | O5 | H18 | 120.3° | 119.9° |
| C4 | C3 | N2 | C1 | 25.8° | 58.6° |
| C3 | C4 | O5 | C6 | 64.9° | 58.6° |
| C4 | C3 | H9 | H10 | 119.6° | 120.2° |
| C3 | C4 | H17 | H18 | 119.0° | 120.1° |
| C3 | N2 | C13 | C1 | 124.1° | 123.6° |
| C3 | N2 | C13 | C15 | 47.1° | 170.0° |
| N2 | C3 | C4 | O5 | 37.9° | 56.8° |
| C3 | N2 | C1 | C6 | 66.3° | 58.6° |
| C3 | N2 | C1 | H1 | 173.6° | 61.4° |
| C3 | N2 | C1 | H2 | 53.8° | 178.6° |
| C3 | N2 | C13 | H3 | 167.8° | 70.0° |
| C3 | N2 | C13 | H4 | 73.6° | 50.0° |
| N2 | C3 | H9 | H10 | 119.6° | 120.1° |
| N2 | C3 | C4 | H17 | 82.4° | 176.8° |
| N2 | C3 | C4 | H18 | 158.2° | 63.1° |
| O92 | S90 | N32 | C31 | 30.0° | 26.1° |
| O92 | S90 | N32 | C94 | 116.3° | 116.1° |
| O92 | S90 | N32 | O96 | 127.8° | 127.8° |
| O92 | S90 | C94 | O96 | 130.3° | 136.7° |
| O92 | S90 | N32 | C33 | 175.5° | 153.7° |
| O92 | S90 | C94 | H37 | 180.0° | 51.6° |
| O92 | S90 | C94 | H38 | 60.0° | 171.7° |
| O92 | S90 | C94 | H39 | 60.0° | 68.4° |
| C31 | C30 | C24 | H11 | 120.0° | 119.8° |
| C31 | C30 | C24 | H12 | 120.0° | 119.8° |
| C30 | C31 | N32 | H13 | 119.9° | 119.9° |
| C30 | C31 | N32 | H14 | 120.0° | 119.9° |
| C31 | C30 | C24 | N19 | 175.7° | 162.3° |
| C31 | C30 | C24 | C23 | 3.7° | 18.3° |
| C30 | C31 | N32 | S90 | 143.6° | 115.5° |
| C30 | C31 | N32 | C33 | 68.5° | 64.2° |
| C31 | C30 | H11 | H12 | 119.9° | 120.4° |
| C30 | C31 | H13 | H14 | 120.1° | 120.1° |
| C24 | C30 | C31 | N32 | 34.8° | 45.4° |
| C30 | C24 | N19 | C17 | 0.5° | 0.8° |
| C30 | C24 | N19 | C23 | 179.6° | 179.5° |
| C30 | C24 | N19 | N21 | 179.9° | 179.5° |
| C30 | C24 | C23 | C33 | 0.6° | 0.8° |
| C30 | C24 | C23 | C22 | 179.8° | 179.2° |
| C24 | C30 | H11 | H12 | 119.9° | 120.3° |
| C24 | C30 | C31 | H13 | 85.1° | 165.3° |
| C24 | C30 | C31 | H14 | 154.8° | 74.5° |
| N2 | C13 | C15 | H3 | 120.7° | 120.0° |
| N2 | C13 | C15 | H4 | 120.7° | 120.0° |
| N2 | C13 | C15 | C17 | 173.0° | 180.0° |
| C13 | N2 | C1 | C6 | 168.0° | 177.6° |
| C13 | N2 | C1 | H1 | 47.9° | 62.4° |
| C13 | N2 | C1 | H2 | 71.9° | 57.6° |
| N2 | C13 | H3 | H4 | 117.8° | 120.0° |
| N2 | C13 | C15 | H5 | 52.2° | 60.0° |
| N2 | C13 | C15 | H6 | 66.2° | 60.0° |
| C13 | N2 | C3 | H9 | 88.7° | 57.7° |
| C13 | N2 | C3 | H10 | 31.0° | 62.5° |
| C15 | C13 | N2 | C1 | 77.0° | 66.4° |
| C13 | C15 | C17 | H5 | 120.8° | 120.0° |
| C13 | C15 | C17 | H6 | 120.8° | 120.0° |
| C13 | C15 | C17 | N19 | 74.8° | 180.0° |
| C15 | C13 | H3 | H4 | 117.9° | 120.0° |
| C13 | C15 | H5 | H6 | 117.6° | 120.0° |
| C13 | C15 | C17 | H7 | 45.8° | 60.0° |
| C13 | C15 | C17 | H8 | 164.7° | 60.0° |
| C31 | N32 | S90 | C33 | 145.5° | 179.8° |
| C31 | N32 | S90 | C94 | 86.3° | 90.0° |
| C31 | N32 | S90 | O96 | 157.8° | 153.9° |
| C31 | N32 | C33 | C23 | 60.8° | 44.0° |
| N32 | C31 | C30 | H11 | 85.2° | 74.3° |
| N32 | C31 | C30 | H12 | 154.9° | 165.2° |
| N32 | C31 | H13 | H14 | 120.1° | 120.2° |
| C31 | N32 | C33 | H15 | 58.4° | 75.5° |
| C31 | N32 | C33 | H16 | 179.9° | 163.5° |
| C4 | O5 | C6 | C1 | 23.8° | 58.6° |
| O5 | C4 | C3 | H9 | 82.2° | 176.8° |
| O5 | C4 | C3 | H10 | 158.0° | 63.1° |
| O5 | C4 | H17 | H18 | 119.0° | 120.1° |
| C4 | O5 | C6 | H22 | 96.6° | 61.3° |
| C4 | O5 | C6 | H23 | 144.2° | 178.7° |
| N2 | C1 | C6 | O5 | 40.1° | 56.9° |
| N2 | C1 | C6 | H1 | 120.1° | 120.0° |
| N2 | C1 | C6 | H2 | 120.1° | 120.0° |
| N2 | C1 | H1 | H2 | 119.7° | 120.1° |
| C1 | N2 | C13 | H3 | 43.7° | 53.6° |
| C1 | N2 | C13 | H4 | 162.3° | 173.6° |
| C1 | N2 | C3 | H9 | 145.9° | 178.5° |
| C1 | N2 | C3 | H10 | 94.3° | 61.3° |
| N2 | C1 | C6 | H22 | 160.5° | 63.1° |
| N2 | C1 | C6 | H23 | 80.3° | 176.9° |
| C15 | C17 | N19 | H7 | 120.6° | 120.0° |
| C15 | C17 | N19 | H8 | 120.6° | 120.0° |
| C15 | C17 | N19 | C24 | 117.4° | 90.0° |
| C15 | C17 | N19 | N21 | 63.0° | 90.3° |
| C17 | C15 | C13 | H3 | 66.4° | 60.0° |
| C17 | C15 | C13 | H4 | 52.3° | 60.0° |
| C17 | C15 | H5 | H6 | 117.6° | 120.0° |
| C15 | C17 | H7 | H8 | 118.2° | 120.0° |
| C17 | N19 | C24 | N21 | 179.6° | 179.7° |
| C17 | N19 | C24 | C23 | 179.9° | 179.7° |
| C17 | N19 | N21 | C22 | 179.9° | 180.0° |
| N19 | C17 | C15 | H5 | 164.5° | 60.0° |
| N19 | C17 | C15 | H6 | 46.1° | 60.0° |
| N19 | C17 | H7 | H8 | 118.2° | 120.0° |
| O5 | C6 | C1 | H22 | 120.4° | 119.9° |
| O5 | C6 | C1 | H23 | 120.4° | 120.1° |
| O5 | C6 | C1 | H1 | 160.2° | 63.1° |
| O5 | C6 | C1 | H2 | 80.0° | 176.8° |
| C6 | O5 | C4 | H17 | 55.4° | 178.6° |
| C6 | O5 | C4 | H18 | 174.8° | 61.3° |
| O5 | C6 | H22 | H23 | 118.8° | 120.1° |
| N19 | C24 | C23 | C33 | 179.8° | 179.7° |
| N19 | C24 | C23 | C22 | 0.2° | 0.3° |
| C24 | N19 | N21 | C22 | 0.3° | 0.3° |
| C24 | N19 | C17 | H7 | 3.2° | 30.0° |
| C24 | N19 | C17 | H8 | 122.0° | 150.0° |
| N19 | C24 | C30 | H11 | 64.3° | 77.9° |
| N19 | C24 | C30 | H12 | 55.7° | 42.4° |
| C24 | C23 | C33 | N32 | 25.8° | 11.2° |
| C23 | C24 | N19 | N21 | 0.3° | 0.0° |
| C24 | C23 | C33 | C22 | 179.4° | 179.9° |
| C24 | C23 | C22 | N21 | 0.1° | 0.4° |
| C24 | C23 | C22 | C39 | 179.6° | 179.8° |
| C23 | C24 | C30 | H11 | 116.3° | 101.5° |
| C23 | C24 | C30 | H12 | 123.8° | 138.2° |
| C24 | C23 | C33 | H15 | 93.5° | 108.1° |
| C24 | C23 | C33 | H16 | 145.1° | 130.8° |
| N32 | S90 | C94 | O96 | 114.2° | 111.7° |
| S90 | N32 | C33 | C23 | 152.5° | 135.8° |
| S90 | N32 | C31 | H13 | 96.4° | 4.4° |
| S90 | N32 | C31 | H14 | 23.7° | 124.5° |
| S90 | N32 | C33 | H15 | 88.2° | 104.8° |
| S90 | N32 | C33 | H16 | 33.3° | 16.3° |
| N32 | S90 | C94 | H37 | 64.5° | 60.0° |
| N32 | S90 | C94 | H38 | 55.5° | 60.1° |
| N32 | S90 | C94 | H39 | 175.5° | 180.0° |
| C94 | S90 | N32 | C33 | 59.2° | 90.3° |
| S90 | C94 | H37 | H38 | 120.0° | 120.0° |
| S90 | C94 | H37 | H39 | 120.0° | 120.0° |
| S90 | C94 | H38 | H39 | 120.0° | 119.9° |
| O96 | S90 | N32 | C33 | 56.7° | 25.9° |
| O96 | S90 | C94 | H37 | 49.7° | 171.6° |
| O96 | S90 | C94 | H38 | 169.7° | 51.6° |
| O96 | S90 | C94 | H39 | 70.3° | 68.3° |
| N32 | C33 | C23 | H15 | 119.3° | 119.4° |
| N32 | C33 | C23 | H16 | 119.3° | 119.6° |
| N32 | C33 | C23 | C22 | 153.6° | 168.8° |
| C33 | N32 | C31 | H13 | 51.4° | 175.9° |
| C33 | N32 | C31 | H14 | 171.5° | 55.7° |
| N32 | C33 | H15 | H16 | 122.2° | 121.1° |
| N19 | N21 | C22 | C23 | 0.1° | 0.4° |
| N19 | N21 | C22 | C39 | 179.8° | 179.8° |
| N21 | N19 | C17 | H7 | 176.4° | 149.7° |
| N21 | N19 | C17 | H8 | 57.6° | 29.7° |
| C6 | C1 | H1 | H2 | 119.7° | 120.1° |
| C1 | C6 | H22 | H23 | 118.8° | 120.1° |
| C33 | C23 | C22 | N21 | 179.6° | 179.5° |
| C33 | C23 | C22 | C39 | 0.1° | 0.3° |
| C23 | C33 | H15 | H16 | 122.1° | 121.1° |
| C23 | C22 | N21 | C39 | 179.7° | 179.8° |
| C23 | C22 | C39 | C41 | 130.3° | 34.9° |
| C23 | C22 | C39 | C45 | 49.4° | 144.7° |
| C22 | C23 | C33 | H15 | 87.1° | 71.8° |
| C22 | C23 | C33 | H16 | 34.3° | 49.2° |
| N21 | C22 | C39 | C41 | 49.3° | 145.3° |
| N21 | C22 | C39 | C45 | 130.9° | 35.0° |
| C22 | C39 | C41 | C45 | 179.7° | 179.7° |
| C22 | C39 | C41 | C42 | 179.6° | 180.0° |
| C22 | C39 | C45 | C44 | 180.0° | 179.7° |
| C22 | C39 | C41 | H19 | 0.4° | 0.0° |
| C22 | C39 | C45 | H21 | 0.0° | 0.1° |
| C39 | C41 | C42 | H19 | 180.0° | 179.9° |
| C41 | C39 | C45 | C44 | 0.3° | 0.6° |
| C39 | C41 | C42 | C43 | 0.5° | 0.0° |
| C39 | C41 | C42 | H20 | 179.5° | 179.9° |
| C41 | C39 | C45 | H21 | 179.7° | 179.7° |
| C45 | C39 | C41 | C42 | 0.1° | 0.4° |
| C39 | C45 | C44 | H21 | 180.0° | 179.6° |
| C39 | C45 | C44 | C43 | 0.3° | 0.6° |
| C39 | C45 | C44 | C54 | 179.8° | 179.6° |
| C45 | C39 | C41 | H19 | 179.9° | 179.7° |
| C41 | C42 | C43 | H20 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.5° | 0.0° |
| C41 | C42 | C43 | CL52 | 179.9° | 180.0° |
| C81 | C82 | C83 | H35 | 180.0° | 179.7° |
| C82 | C81 | C80 | H34 | 180.0° | 180.0° |
| C81 | C82 | C83 | C77 | 0.1° | 0.6° |
| C82 | C81 | C80 | C79 | 0.0° | 0.0° |
| C82 | C81 | C80 | H33 | 180.0° | 180.0° |
| C81 | C82 | C83 | H36 | 179.9° | 180.0° |
| C83 | C82 | C81 | C80 | 0.1° | 0.3° |
| C82 | C83 | C77 | H36 | 180.0° | 179.4° |
| C82 | C83 | C77 | C79 | 0.0° | 0.6° |
| C82 | C83 | C77 | C75 | 180.0° | 179.7° |
| C83 | C82 | C81 | H34 | 179.9° | 179.8° |
| C45 | C44 | C43 | C42 | 0.1° | 0.3° |
| C45 | C44 | C43 | C54 | 179.5° | 179.8° |
| C45 | C44 | C43 | CL52 | 179.7° | 179.8° |
| C45 | C44 | C54 | C56 | 23.0° | 27.0° |
| C81 | C80 | C79 | H33 | 180.0° | 179.9° |
| C81 | C80 | C79 | C77 | 0.1° | 0.0° |
| C81 | C80 | C79 | H32 | 179.8° | 180.0° |
| C80 | C81 | C82 | H35 | 179.9° | 180.0° |
| C83 | C77 | C79 | C80 | 0.1° | 0.3° |
| C83 | C77 | C79 | C75 | 180.0° | 179.7° |
| C83 | C77 | C75 | N73 | 158.8° | 90.3° |
| C83 | C77 | C75 | H30 | 80.7° | 29.7° |
| C83 | C77 | C75 | H31 | 38.3° | 149.7° |
| C83 | C77 | C79 | H32 | 179.8° | 179.7° |
| C77 | C83 | C82 | H35 | 179.9° | 179.7° |
| C80 | C79 | C77 | H32 | 180.0° | 179.9° |
| C80 | C79 | C77 | C75 | 179.9° | 180.0° |
| C79 | C80 | C81 | H34 | 180.0° | 179.9° |
| C79 | C77 | C75 | N73 | 21.2° | 90.0° |
| C79 | C77 | C75 | H30 | 99.3° | 150.0° |
| C79 | C77 | C75 | H31 | 141.7° | 30.0° |
| C77 | C79 | C80 | H33 | 179.9° | 180.0° |
| C79 | C77 | C83 | H36 | 180.0° | 180.0° |
| C77 | C75 | N73 | H30 | 120.5° | 120.0° |
| C77 | C75 | N73 | H31 | 120.5° | 120.0° |
| C77 | C75 | N73 | C71 | 124.2° | 180.0° |
| C77 | C75 | H30 | H31 | 118.4° | 120.0° |
| C75 | C77 | C79 | H32 | 0.2° | 0.1° |
| C75 | C77 | C83 | H36 | 0.0° | 0.3° |
| C77 | C75 | N73 | H41 | 115.4° | 56.0° |
| C42 | C43 | C44 | CL52 | 179.5° | 180.0° |
| C42 | C43 | C44 | C54 | 179.4° | 179.9° |
| C43 | C42 | C41 | H19 | 179.5° | 180.0° |
| C43 | C44 | C54 | C56 | 157.5° | 152.8° |
| C44 | C43 | C42 | H20 | 179.4° | 180.0° |
| C43 | C44 | C45 | H21 | 179.7° | 179.8° |
| C54 | C44 | C43 | CL52 | 0.1° | 0.0° |
| C44 | C54 | C56 | C58 | 118.1° | 158.0° |
| C54 | C44 | C45 | H21 | 0.2° | 0.0° |
| C75 | N73 | C71 | H41 | 120.4° | 124.0° |
| C75 | N73 | C71 | C61 | 119.5° | 180.0° |
| C75 | N73 | C71 | H28 | 0.9° | 60.0° |
| C75 | N73 | C71 | H29 | 120.0° | 60.0° |
| N73 | C75 | H30 | H31 | 118.4° | 120.0° |
| N73 | C71 | C61 | C60 | 33.7° | 90.0° |
| N73 | C71 | C61 | H28 | 120.4° | 120.0° |
| N73 | C71 | C61 | H29 | 120.4° | 120.0° |
| N73 | C71 | C61 | C62 | 146.3° | 90.0° |
| N73 | C71 | H28 | H29 | 118.6° | 120.0° |
| C71 | N73 | C75 | H30 | 3.7° | 60.0° |
| C71 | N73 | C75 | H31 | 115.3° | 60.0° |
| CL52 | C43 | C42 | H20 | 0.1° | 0.0° |
| C54 | C56 | C58 | C60 | 156.1° | 5.5° |
| C54 | C56 | C58 | C64 | 24.3° | 174.7° |
| C56 | C58 | C60 | C64 | 179.6° | 179.7° |
| C56 | C58 | C60 | C61 | 179.6° | 180.0° |
| C56 | C58 | C64 | C63 | 179.6° | 179.8° |
| C56 | C58 | C60 | H24 | 0.3° | 0.1° |
| C56 | C58 | C64 | H27 | 0.4° | 0.0° |
| C58 | C60 | C61 | H24 | 180.0° | 180.0° |
| C58 | C60 | C61 | C71 | 179.9° | 180.0° |
| C58 | C60 | C61 | C62 | 0.1° | 0.0° |
| C60 | C58 | C64 | C63 | 0.0° | 0.5° |
| C60 | C58 | C64 | H27 | 180.0° | 179.7° |
| C60 | C61 | C71 | C62 | 180.0° | 180.0° |
| C61 | C60 | C58 | C64 | 0.0° | 0.3° |
| C60 | C61 | C62 | C63 | 0.1° | 0.1° |
| C60 | C61 | C62 | H25 | 179.9° | 180.0° |
| C60 | C61 | C71 | H28 | 154.1° | 150.0° |
| C60 | C61 | C71 | H29 | 86.7° | 30.0° |
| C71 | C61 | C62 | C63 | 179.9° | 180.0° |
| C71 | C61 | C60 | H24 | 0.1° | 0.1° |
| C71 | C61 | C62 | H25 | 0.1° | 0.0° |
| C61 | C71 | H28 | H29 | 118.7° | 120.0° |
| C61 | C71 | N73 | H41 | 120.1° | 56.0° |
| C58 | C64 | C63 | H27 | 180.0° | 179.8° |
| C58 | C64 | C63 | C62 | 0.0° | 0.5° |
| C64 | C58 | C60 | H24 | 180.0° | 179.8° |
| C58 | C64 | C63 | H26 | 180.0° | 179.7° |
| C61 | C62 | C63 | C64 | 0.1° | 0.2° |
| C61 | C62 | C63 | H25 | 180.0° | 179.9° |
| C62 | C61 | C60 | H24 | 179.9° | 179.9° |
| C61 | C62 | C63 | H26 | 179.9° | 180.0° |
| C62 | C61 | C71 | H28 | 25.9° | 30.0° |
| C62 | C61 | C71 | H29 | 93.2° | 149.9° |
| C64 | C63 | C62 | H26 | 180.0° | 179.8° |
| C64 | C63 | C62 | H25 | 179.9° | 179.8° |
| C62 | C63 | C64 | H27 | 180.0° | 179.8° |
| H1 | C1 | C6 | H22 | 79.4° | 176.9° |
| H1 | C1 | C6 | H23 | 39.8° | 56.9° |
| H2 | C1 | C6 | H22 | 40.4° | 56.9° |
| H2 | C1 | C6 | H23 | 159.6° | 63.1° |
| H3 | C13 | C15 | H5 | 172.9° | 60.0° |
| H3 | C13 | C15 | H6 | 54.4° | 180.0° |
| H4 | C13 | C15 | H5 | 68.5° | 180.0° |
| H4 | C13 | C15 | H6 | 173.1° | 60.0° |
| H5 | C15 | C17 | H7 | 75.0° | 180.0° |
| H5 | C15 | C17 | H8 | 43.9° | 60.0° |
| H6 | C15 | C17 | H7 | 166.6° | 60.0° |
| H6 | C15 | C17 | H8 | 74.5° | 180.0° |
| H9 | C3 | C4 | H17 | 157.4° | 63.3° |
| H9 | C3 | C4 | H18 | 38.1° | 56.9° |
| H10 | C3 | C4 | H17 | 37.7° | 56.9° |
| H10 | C3 | C4 | H18 | 81.6° | 177.0° |
| H11 | C30 | C31 | H13 | 154.9° | 45.6° |
| H11 | C30 | C31 | H14 | 34.8° | 165.7° |
| H12 | C30 | C31 | H13 | 34.9° | 74.9° |
| H12 | C30 | C31 | H14 | 85.2° | 45.3° |
| H19 | C41 | C42 | H20 | 0.5° | 0.0° |
| H25 | C62 | C63 | H26 | 0.1° | 0.0° |
| H26 | C63 | C64 | H27 | 0.0° | 0.0° |
| H28 | C71 | N73 | H41 | 119.5° | 64.1° |
| H29 | C71 | N73 | H41 | 0.4° | 176.0° |
| H30 | C75 | N73 | H41 | 124.1° | 176.0° |
| H31 | C75 | N73 | H41 | 5.1° | 64.0° |
| H32 | C79 | C80 | H33 | 0.2° | 0.1° |
| H33 | C80 | C81 | H34 | 0.0° | 0.0° |
| H34 | C81 | C82 | H35 | 0.1° | 0.0° |
| H35 | C82 | C83 | H36 | 0.1° | 0.2° |
| H37 | C94 | H38 | H39 | 120.0° | 120.1° |
