8Q1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | P24 | doub | 1.48Å | 1.51Å | |
| O2 | P24 | sing | 1.61Å | 1.51Å | |
| P24 | O27 | sing | 1.61Å | 1.61Å | |
| O27 | C28 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| O33 | C32 | sing | 1.43Å | 1.43Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C32 | sing | 1.53Å | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | C34 | sing | 1.51Å | 1.51Å | |
| O35 | C34 | doub | 1.21Å | 1.22Å | |
| C34 | N36 | sing | 1.35Å | 1.33Å | |
| N36 | C37 | sing | 1.46Å | 1.45Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C42 | N41 | sing | 1.47Å | 1.45Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| S44 | C43 | sing | 1.81Å | 1.76Å | |
| S44 | C1 | sing | 1.71Å | 1.67Å | |
| O40 | C39 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| N41 | C39 | sing | 1.35Å | 1.33Å | |
| C39 | C38 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.51Å | 1.51Å | |
| C1 | O4 | doub | 1.21Å | 1.22Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| P24 | O1 | sing | 1.61Å | 1.27Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.09Å | 1.10Å | |
| N36 | H42 | sing | 0.97Å | 1.00Å | |
| N41 | H43 | sing | 0.97Å | 1.00Å | |
| O33 | H44 | sing | 0.97Å | 0.95Å | |
| O1 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | P24 | O2 | 109.3° | 109.5° |
| O3 | P24 | O27 | 108.1° | 109.4° |
| O3 | P24 | O1 | 78.1° | 109.5° |
| O2 | P24 | O27 | 107.7° | 109.5° |
| O2 | P24 | O1 | 77.9° | 109.5° |
| P24 | O2 | H10 | 109.5° | 114.0° |
| P24 | O27 | C28 | 120.2° | 123.0° |
| O27 | P24 | O1 | 169.0° | 109.5° |
| O27 | C28 | C29 | 110.2° | 109.5° |
| O27 | C28 | H25 | 109.3° | 109.5° |
| O27 | C28 | H26 | 109.3° | 109.4° |
| C28 | C29 | C30 | 110.0° | 109.5° |
| C28 | C29 | C32 | 108.9° | 109.5° |
| C28 | C29 | C31 | 108.4° | 109.5° |
| C29 | C28 | H25 | 109.3° | 109.5° |
| C29 | C28 | H26 | 109.3° | 109.5° |
| O33 | C32 | C29 | 109.1° | 109.5° |
| O33 | C32 | C34 | 109.1° | 109.5° |
| O33 | C32 | H33 | 109.5° | 109.5° |
| C32 | O33 | H44 | 109.5° | 114.0° |
| C30 | C29 | C32 | 109.8° | 109.5° |
| C30 | C29 | C31 | 109.9° | 109.4° |
| C29 | C30 | H27 | 109.5° | 109.5° |
| C29 | C30 | H28 | 109.4° | 109.5° |
| C29 | C30 | H29 | 109.5° | 109.5° |
| C32 | C29 | C31 | 109.8° | 109.5° |
| C29 | C32 | C34 | 112.4° | 109.4° |
| C29 | C32 | H33 | 108.2° | 109.5° |
| C29 | C31 | H30 | 109.5° | 109.4° |
| C29 | C31 | H31 | 109.5° | 109.5° |
| C29 | C31 | H32 | 109.5° | 109.5° |
| C32 | C34 | O35 | 120.2° | 120.0° |
| C32 | C34 | N36 | 117.5° | 120.0° |
| C34 | C32 | H33 | 108.5° | 109.5° |
| O35 | C34 | N36 | 122.3° | 120.0° |
| C34 | N36 | C37 | 122.1° | 120.0° |
| C34 | N36 | H42 | 118.9° | 120.0° |
| N36 | C37 | C38 | 111.7° | 109.5° |
| N36 | C37 | H34 | 108.9° | 109.4° |
| N36 | C37 | H35 | 108.9° | 109.5° |
| C37 | N36 | H42 | 118.9° | 120.0° |
| C16 | C15 | C14 | 110.9° | 109.5° |
| C15 | C16 | H1 | 109.5° | 109.4° |
| C15 | C16 | H2 | 109.4° | 109.4° |
| C15 | C16 | H3 | 109.5° | 109.5° |
| C16 | C15 | H4 | 109.1° | 109.5° |
| C16 | C15 | H5 | 109.1° | 109.5° |
| C15 | C14 | C13 | 111.3° | 109.5° |
| C14 | C15 | H4 | 109.1° | 109.5° |
| C14 | C15 | H5 | 109.1° | 109.5° |
| C15 | C14 | H6 | 109.0° | 109.5° |
| C15 | C14 | H7 | 109.0° | 109.5° |
| C14 | C13 | C12 | 110.4° | 109.5° |
| C13 | C14 | H6 | 109.0° | 109.4° |
| C13 | C14 | H7 | 109.0° | 109.5° |
| C14 | C13 | H8 | 109.3° | 109.4° |
| C14 | C13 | H9 | 109.3° | 109.5° |
| N41 | C42 | C43 | 112.1° | 109.5° |
| C42 | N41 | C39 | 120.9° | 120.0° |
| N41 | C42 | H38 | 108.8° | 109.5° |
| N41 | C42 | H39 | 108.8° | 109.5° |
| C42 | N41 | H43 | 119.6° | 120.0° |
| C42 | C43 | S44 | 109.1° | 109.5° |
| C43 | C42 | H38 | 108.8° | 109.5° |
| C43 | C42 | H39 | 108.8° | 109.5° |
| C42 | C43 | H40 | 109.5° | 109.5° |
| C42 | C43 | H41 | 109.6° | 109.5° |
| C37 | C38 | C39 | 110.1° | 109.5° |
| C38 | C37 | H34 | 108.9° | 109.5° |
| C38 | C37 | H35 | 108.9° | 109.5° |
| C37 | C38 | H36 | 109.3° | 109.5° |
| C37 | C38 | H37 | 109.3° | 109.5° |
| C43 | S44 | C1 | 109.8° | 100.0° |
| S44 | C43 | H40 | 109.6° | 109.5° |
| S44 | C43 | H41 | 109.5° | 109.5° |
| S44 | C1 | C6 | 119.7° | 120.0° |
| S44 | C1 | O4 | 119.8° | 120.0° |
| O40 | C39 | N41 | 122.7° | 120.0° |
| O40 | C39 | C38 | 120.4° | 120.0° |
| C13 | C12 | C11 | 111.9° | 109.5° |
| C12 | C13 | H8 | 109.2° | 109.5° |
| C12 | C13 | H9 | 109.2° | 109.5° |
| C13 | C12 | H11 | 108.8° | 109.4° |
| C13 | C12 | H12 | 108.9° | 109.5° |
| C12 | C11 | C10 | 111.8° | 109.5° |
| C11 | C12 | H11 | 108.9° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C12 | C11 | H13 | 108.9° | 109.5° |
| C12 | C11 | H14 | 108.9° | 109.4° |
| N41 | C39 | C38 | 116.9° | 120.0° |
| C39 | N41 | H43 | 119.6° | 120.0° |
| C39 | C38 | H36 | 109.3° | 109.5° |
| C39 | C38 | H37 | 109.3° | 109.5° |
| C11 | C10 | C9 | 110.0° | 109.4° |
| C10 | C11 | H13 | 108.9° | 109.5° |
| C10 | C11 | H14 | 108.9° | 109.4° |
| C11 | C10 | H15 | 109.4° | 109.5° |
| C11 | C10 | H16 | 109.3° | 109.4° |
| C10 | C9 | C8 | 112.1° | 109.4° |
| C9 | C10 | H15 | 109.3° | 109.5° |
| C9 | C10 | H16 | 109.3° | 109.5° |
| C10 | C9 | H17 | 108.8° | 109.5° |
| C10 | C9 | H18 | 108.8° | 109.5° |
| C7 | C8 | C9 | 110.7° | 109.5° |
| C8 | C7 | C6 | 110.9° | 109.5° |
| C7 | C8 | H19 | 109.1° | 109.5° |
| C7 | C8 | H20 | 109.1° | 109.4° |
| C8 | C7 | H21 | 109.1° | 109.5° |
| C8 | C7 | H22 | 109.1° | 109.4° |
| C8 | C9 | H17 | 108.8° | 109.4° |
| C8 | C9 | H18 | 108.8° | 109.4° |
| C9 | C8 | H19 | 109.1° | 109.5° |
| C9 | C8 | H20 | 109.2° | 109.5° |
| C6 | C1 | O4 | 120.4° | 120.0° |
| C1 | C6 | C7 | 110.3° | 109.5° |
| C1 | C6 | H23 | 109.3° | 109.5° |
| C1 | C6 | H24 | 109.3° | 109.4° |
| C6 | C7 | H21 | 109.1° | 109.5° |
| C6 | C7 | H22 | 109.1° | 109.4° |
| C7 | C6 | H23 | 109.3° | 109.5° |
| C7 | C6 | H24 | 109.3° | 109.4° |
| P24 | O1 | H45 | 109.5° | 114.0° |
| H1 | C16 | H2 | 109.5° | 109.5° |
| H1 | C16 | H3 | 109.4° | 109.5° |
| H2 | C16 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H6 | C14 | H7 | 109.4° | 109.4° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.4° | 109.4° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H19 | C8 | H20 | 109.5° | 109.5° |
| H21 | C7 | H22 | 109.5° | 109.5° |
| H23 | C6 | H24 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H27 | C30 | H29 | 109.5° | 109.4° |
| H28 | C30 | H29 | 109.5° | 109.4° |
| H30 | C31 | H31 | 109.4° | 109.4° |
| H30 | C31 | H32 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H34 | C37 | H35 | 109.4° | 109.5° |
| H36 | C38 | H37 | 109.5° | 109.4° |
| H38 | C42 | H39 | 109.4° | 109.5° |
| H40 | C43 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | P24 | O2 | O27 | 117.2° | 119.9° |
| O3 | P24 | O2 | O1 | 72.6° | 120.0° |
| O3 | P24 | O27 | O1 | 123.0° | 120.0° |
| O3 | P24 | O27 | C28 | 178.2° | 55.0° |
| O3 | P24 | O2 | H10 | 0.0° | 60.0° |
| O3 | P24 | O1 | H45 | 0.0° | 180.0° |
| O2 | P24 | O27 | O1 | 119.1° | 120.1° |
| O2 | P24 | O27 | C28 | 63.8° | 175.0° |
| O2 | P24 | O1 | H45 | 113.0° | 60.0° |
| P24 | O27 | C28 | C29 | 164.1° | 179.9° |
| O27 | P24 | O2 | H10 | 117.2° | 180.0° |
| P24 | O27 | C28 | H25 | 44.0° | 59.9° |
| P24 | O27 | C28 | H26 | 75.7° | 60.1° |
| O27 | P24 | O1 | H45 | 125.4° | 60.1° |
| O27 | C28 | C29 | H25 | 120.1° | 120.0° |
| O27 | C28 | C29 | H26 | 120.1° | 119.9° |
| O27 | C28 | C29 | C30 | 56.3° | 60.0° |
| O27 | C28 | C29 | C32 | 64.0° | 180.0° |
| O27 | C28 | C29 | C31 | 176.5° | 60.0° |
| C28 | O27 | P24 | O1 | 55.2° | 64.9° |
| O27 | C28 | H25 | H26 | 119.7° | 119.9° |
| C28 | C29 | C32 | O33 | 41.9° | 65.6° |
| C28 | C29 | C30 | C32 | 119.8° | 120.0° |
| C28 | C29 | C30 | C31 | 119.3° | 120.0° |
| C28 | C29 | C32 | C31 | 118.6° | 120.0° |
| C28 | C29 | C32 | C34 | 162.9° | 54.4° |
| C29 | C28 | H25 | H26 | 119.6° | 120.0° |
| C28 | C29 | C30 | H27 | 180.0° | 66.3° |
| C28 | C29 | C30 | H28 | 60.0° | 173.6° |
| C28 | C29 | C30 | H29 | 60.0° | 53.6° |
| C28 | C29 | C31 | H30 | 180.0° | 64.6° |
| C28 | C29 | C31 | H31 | 60.0° | 175.5° |
| C28 | C29 | C31 | H32 | 60.0° | 55.4° |
| C28 | C29 | C32 | H33 | 77.3° | 174.4° |
| O33 | C32 | C29 | C30 | 78.6° | 174.4° |
| O33 | C32 | C29 | C34 | 121.1° | 120.0° |
| O33 | C32 | C29 | H33 | 119.1° | 120.0° |
| O33 | C32 | C29 | C31 | 160.4° | 54.4° |
| O33 | C32 | C34 | H33 | 119.3° | 120.0° |
| O33 | C32 | C34 | O35 | 15.7° | 8.5° |
| O33 | C32 | C34 | N36 | 164.1° | 171.5° |
| C30 | C29 | C32 | C31 | 121.0° | 120.0° |
| C30 | C29 | C32 | C34 | 42.5° | 65.6° |
| C30 | C29 | C28 | H25 | 63.8° | 60.0° |
| C30 | C29 | C28 | H26 | 176.4° | 179.9° |
| C29 | C30 | H27 | H28 | 120.0° | 120.1° |
| C29 | C30 | H27 | H29 | 120.0° | 120.0° |
| C29 | C30 | H28 | H29 | 120.0° | 120.0° |
| C30 | C29 | C31 | H30 | 59.7° | 175.4° |
| C30 | C29 | C31 | H31 | 60.3° | 55.4° |
| C30 | C29 | C31 | H32 | 179.8° | 64.6° |
| C30 | C29 | C32 | H33 | 162.3° | 54.4° |
| C29 | C32 | C34 | H33 | 119.6° | 120.0° |
| C29 | C32 | C34 | O35 | 105.4° | 111.5° |
| C29 | C32 | C34 | N36 | 74.8° | 68.5° |
| C32 | C29 | C28 | H25 | 175.9° | 60.0° |
| C32 | C29 | C28 | H26 | 56.1° | 60.0° |
| C32 | C29 | C30 | H27 | 60.2° | 173.7° |
| C32 | C29 | C30 | H28 | 59.8° | 53.6° |
| C32 | C29 | C30 | H29 | 179.8° | 66.4° |
| C32 | C29 | C31 | H30 | 61.1° | 55.4° |
| C32 | C29 | C31 | H31 | 178.9° | 64.5° |
| C32 | C29 | C31 | H32 | 58.9° | 175.4° |
| C29 | C32 | O33 | H44 | 116.1° | 60.0° |
| C31 | C29 | C32 | C34 | 78.5° | 174.4° |
| C31 | C29 | C28 | H25 | 56.4° | 180.0° |
| C31 | C29 | C28 | H26 | 63.3° | 60.0° |
| C31 | C29 | C30 | H27 | 60.7° | 53.7° |
| C31 | C29 | C30 | H28 | 179.3° | 66.4° |
| C31 | C29 | C30 | H29 | 59.3° | 173.6° |
| C29 | C31 | H30 | H31 | 120.0° | 120.0° |
| C29 | C31 | H30 | H32 | 120.0° | 120.0° |
| C29 | C31 | H31 | H32 | 120.0° | 120.0° |
| C31 | C29 | C32 | H33 | 41.3° | 65.6° |
| C32 | C34 | O35 | N36 | 179.8° | 180.0° |
| C32 | C34 | N36 | C37 | 153.1° | 175.6° |
| C32 | C34 | N36 | H42 | 27.0° | 4.4° |
| C34 | C32 | O33 | H44 | 7.0° | 60.0° |
| O35 | C34 | N36 | C37 | 26.7° | 4.4° |
| O35 | C34 | C32 | H33 | 135.0° | 128.5° |
| O35 | C34 | N36 | H42 | 153.3° | 175.6° |
| C34 | N36 | C37 | H42 | 180.0° | 180.0° |
| C34 | N36 | C37 | C38 | 143.2° | 180.0° |
| N36 | C34 | C32 | H33 | 44.8° | 51.5° |
| C34 | N36 | C37 | H34 | 22.9° | 60.1° |
| C34 | N36 | C37 | H35 | 96.4° | 59.9° |
| N36 | C37 | C38 | H34 | 120.3° | 120.0° |
| N36 | C37 | C38 | H35 | 120.4° | 120.1° |
| N36 | C37 | C38 | C39 | 58.6° | 179.9° |
| N36 | C37 | H34 | H35 | 119.0° | 120.0° |
| N36 | C37 | C38 | H36 | 178.6° | 60.0° |
| N36 | C37 | C38 | H37 | 61.6° | 60.0° |
| C16 | C15 | C14 | H4 | 120.2° | 120.0° |
| C16 | C15 | C14 | H5 | 120.2° | 120.0° |
| C16 | C15 | C14 | C13 | 175.5° | 180.0° |
| C15 | C16 | H1 | H2 | 120.0° | 119.9° |
| C15 | C16 | H1 | H3 | 120.0° | 120.0° |
| C15 | C16 | H2 | H3 | 120.0° | 120.0° |
| C16 | C15 | H4 | H5 | 119.4° | 120.0° |
| C16 | C15 | C14 | H6 | 64.2° | 60.0° |
| C16 | C15 | C14 | H7 | 55.2° | 60.0° |
| C15 | C14 | C13 | H6 | 120.3° | 120.1° |
| C15 | C14 | C13 | H7 | 120.3° | 120.0° |
| C15 | C14 | C13 | C12 | 166.9° | 180.0° |
| C14 | C15 | C16 | H1 | 180.0° | 180.0° |
| C14 | C15 | C16 | H2 | 60.0° | 60.0° |
| C14 | C15 | C16 | H3 | 60.0° | 60.0° |
| C14 | C15 | H4 | H5 | 119.3° | 120.0° |
| C15 | C14 | H6 | H7 | 119.1° | 120.0° |
| C15 | C14 | C13 | H8 | 46.8° | 60.0° |
| C15 | C14 | C13 | H9 | 72.9° | 60.0° |
| C14 | C13 | C12 | H8 | 120.1° | 120.0° |
| C14 | C13 | C12 | H9 | 120.2° | 120.0° |
| C14 | C13 | C12 | C11 | 168.5° | 180.0° |
| C13 | C14 | C15 | H4 | 55.3° | 60.0° |
| C13 | C14 | C15 | H5 | 64.3° | 60.0° |
| C13 | C14 | H6 | H7 | 119.2° | 119.9° |
| C14 | C13 | H8 | H9 | 119.6° | 120.0° |
| C14 | C13 | C12 | H11 | 71.1° | 60.0° |
| C14 | C13 | C12 | H12 | 48.2° | 59.9° |
| N41 | C42 | C43 | H38 | 120.4° | 120.0° |
| N41 | C42 | C43 | H39 | 120.4° | 120.0° |
| N41 | C42 | C43 | S44 | 169.3° | 180.0° |
| C42 | N41 | C39 | O40 | 3.7° | 0.0° |
| C42 | N41 | C39 | H43 | 180.0° | 179.9° |
| C42 | N41 | C39 | C38 | 176.3° | 180.0° |
| N41 | C42 | H38 | H39 | 118.8° | 120.0° |
| N41 | C42 | C43 | H40 | 70.7° | 60.0° |
| N41 | C42 | C43 | H41 | 49.4° | 60.0° |
| C42 | C43 | S44 | H40 | 119.9° | 120.0° |
| C42 | C43 | S44 | H41 | 120.0° | 120.0° |
| C42 | C43 | S44 | C1 | 153.7° | 180.0° |
| C43 | C42 | N41 | C39 | 97.0° | 180.0° |
| C43 | C42 | H38 | H39 | 118.8° | 120.0° |
| C42 | C43 | H40 | H41 | 120.2° | 120.0° |
| C43 | C42 | N41 | H43 | 83.0° | 0.1° |
| C37 | C38 | C39 | O40 | 98.3° | 0.1° |
| C37 | C38 | C39 | N41 | 81.7° | 180.0° |
| C37 | C38 | C39 | H36 | 120.1° | 120.0° |
| C37 | C38 | C39 | H37 | 120.1° | 120.1° |
| C38 | C37 | H34 | H35 | 119.0° | 120.0° |
| C37 | C38 | H36 | H37 | 119.7° | 120.0° |
| C38 | C37 | N36 | H42 | 36.8° | 0.0° |
| C43 | S44 | C1 | C6 | 136.3° | 180.0° |
| C43 | S44 | C1 | O4 | 43.8° | 0.0° |
| S44 | C43 | C42 | H38 | 48.9° | 60.0° |
| S44 | C43 | C42 | H39 | 70.3° | 60.0° |
| S44 | C43 | H40 | H41 | 120.2° | 120.0° |
| S44 | C1 | C6 | O4 | 179.8° | 180.0° |
| S44 | C1 | C6 | C7 | 130.6° | 180.0° |
| S44 | C1 | C6 | H23 | 10.5° | 60.0° |
| S44 | C1 | C6 | H24 | 109.2° | 60.0° |
| C1 | S44 | C43 | H40 | 86.4° | 60.0° |
| C1 | S44 | C43 | H41 | 33.7° | 60.0° |
| O40 | C39 | N41 | C38 | 180.0° | 179.9° |
| O40 | C39 | C38 | H36 | 141.6° | 120.1° |
| O40 | C39 | C38 | H37 | 21.8° | 120.0° |
| O40 | C39 | N41 | H43 | 176.4° | 179.9° |
| C13 | C12 | C11 | H11 | 120.3° | 120.0° |
| C13 | C12 | C11 | H12 | 120.4° | 120.0° |
| C13 | C12 | C11 | C10 | 83.6° | 180.0° |
| C12 | C13 | C14 | H6 | 72.8° | 60.0° |
| C12 | C13 | C14 | H7 | 46.7° | 59.9° |
| C12 | C13 | H8 | H9 | 119.5° | 120.0° |
| C13 | C12 | H11 | H12 | 118.9° | 119.9° |
| C13 | C12 | C11 | H13 | 156.0° | 60.0° |
| C13 | C12 | C11 | H14 | 36.7° | 60.0° |
| C12 | C11 | C10 | H13 | 120.4° | 120.0° |
| C12 | C11 | C10 | H14 | 120.4° | 119.9° |
| C12 | C11 | C10 | C9 | 165.6° | 180.0° |
| C11 | C12 | C13 | H8 | 48.4° | 60.0° |
| C11 | C12 | C13 | H9 | 71.3° | 60.0° |
| C11 | C12 | H11 | H12 | 118.9° | 120.1° |
| C12 | C11 | H13 | H14 | 119.0° | 120.0° |
| C12 | C11 | C10 | H15 | 74.3° | 59.9° |
| C12 | C11 | C10 | H16 | 45.6° | 60.0° |
| N41 | C39 | C38 | H36 | 38.4° | 60.0° |
| N41 | C39 | C38 | H37 | 158.2° | 59.9° |
| C39 | N41 | C42 | H38 | 23.4° | 60.0° |
| C39 | N41 | C42 | H39 | 142.6° | 60.0° |
| C39 | C38 | C37 | H34 | 61.8° | 60.0° |
| C39 | C38 | C37 | H35 | 178.9° | 60.0° |
| C39 | C38 | H36 | H37 | 119.7° | 120.0° |
| C38 | C39 | N41 | H43 | 3.6° | 0.0° |
| C11 | C10 | C9 | H15 | 120.1° | 120.1° |
| C11 | C10 | C9 | H16 | 120.1° | 120.0° |
| C11 | C10 | C9 | C8 | 173.1° | 180.0° |
| C10 | C11 | C12 | H11 | 36.7° | 60.0° |
| C10 | C11 | C12 | H12 | 156.0° | 60.0° |
| C10 | C11 | H13 | H14 | 118.9° | 120.0° |
| C11 | C10 | H15 | H16 | 119.7° | 119.9° |
| C11 | C10 | C9 | H17 | 52.7° | 60.0° |
| C11 | C10 | C9 | H18 | 66.5° | 60.1° |
| C10 | C9 | C8 | C7 | 158.9° | 180.0° |
| C10 | C9 | C8 | H17 | 120.4° | 120.0° |
| C10 | C9 | C8 | H18 | 120.4° | 120.0° |
| C9 | C10 | C11 | H13 | 45.3° | 60.0° |
| C9 | C10 | C11 | H14 | 74.0° | 60.1° |
| C9 | C10 | H15 | H16 | 119.7° | 120.0° |
| C10 | C9 | H17 | H18 | 118.8° | 120.1° |
| C10 | C9 | C8 | H19 | 38.7° | 60.0° |
| C10 | C9 | C8 | H20 | 80.9° | 60.0° |
| C7 | C8 | C9 | H19 | 120.2° | 120.0° |
| C7 | C8 | C9 | H20 | 120.2° | 120.0° |
| C8 | C7 | C6 | C1 | 162.2° | 180.0° |
| C8 | C7 | C6 | H21 | 120.2° | 120.0° |
| C8 | C7 | C6 | H22 | 120.2° | 119.9° |
| C7 | C8 | C9 | H17 | 38.5° | 60.0° |
| C7 | C8 | C9 | H18 | 80.7° | 60.0° |
| C7 | C8 | H19 | H20 | 119.4° | 120.0° |
| C8 | C7 | H21 | H22 | 119.3° | 120.0° |
| C8 | C7 | C6 | H23 | 42.1° | 60.0° |
| C8 | C7 | C6 | H24 | 77.7° | 60.1° |
| C9 | C8 | C7 | C6 | 157.2° | 180.0° |
| C8 | C9 | C10 | H15 | 66.7° | 60.0° |
| C8 | C9 | C10 | H16 | 53.1° | 60.0° |
| C8 | C9 | H17 | H18 | 118.8° | 119.9° |
| C9 | C8 | H19 | H20 | 119.5° | 120.0° |
| C9 | C8 | C7 | H21 | 82.6° | 60.0° |
| C9 | C8 | C7 | H22 | 37.0° | 60.0° |
| C1 | C6 | C7 | H23 | 120.1° | 120.0° |
| C1 | C6 | C7 | H24 | 120.1° | 119.9° |
| C1 | C6 | C7 | H21 | 42.0° | 59.9° |
| C1 | C6 | C7 | H22 | 77.6° | 60.1° |
| C1 | C6 | H23 | H24 | 119.6° | 120.0° |
| O4 | C1 | C6 | C7 | 49.2° | 0.1° |
| O4 | C1 | C6 | H23 | 169.3° | 120.0° |
| O4 | C1 | C6 | H24 | 71.0° | 120.0° |
| C6 | C7 | C8 | H19 | 82.7° | 60.0° |
| C6 | C7 | C8 | H20 | 37.0° | 60.1° |
| C6 | C7 | H21 | H22 | 119.3° | 120.0° |
| C7 | C6 | H23 | H24 | 119.6° | 120.0° |
| O1 | P24 | O2 | H10 | 72.6° | 60.0° |
| H1 | C16 | H2 | H3 | 120.0° | 120.1° |
| H1 | C16 | C15 | H4 | 59.8° | 59.9° |
| H1 | C16 | C15 | H5 | 59.8° | 60.0° |
| H2 | C16 | C15 | H4 | 60.2° | 60.0° |
| H2 | C16 | C15 | H5 | 179.8° | 179.9° |
| H3 | C16 | C15 | H4 | 179.8° | 179.9° |
| H3 | C16 | C15 | H5 | 60.2° | 60.0° |
| H4 | C15 | C14 | H6 | 175.6° | 180.0° |
| H4 | C15 | C14 | H7 | 65.0° | 60.0° |
| H5 | C15 | C14 | H6 | 56.0° | 60.0° |
| H5 | C15 | C14 | H7 | 175.4° | 180.0° |
| H6 | C14 | C13 | H8 | 167.1° | 180.0° |
| H6 | C14 | C13 | H9 | 47.4° | 60.1° |
| H7 | C14 | C13 | H8 | 73.5° | 60.0° |
| H7 | C14 | C13 | H9 | 166.8° | 180.0° |
| H8 | C13 | C12 | H11 | 168.8° | 180.0° |
| H8 | C13 | C12 | H12 | 72.0° | 60.0° |
| H9 | C13 | C12 | H11 | 49.1° | 60.0° |
| H9 | C13 | C12 | H12 | 168.3° | 180.0° |
| H11 | C12 | C11 | H13 | 83.6° | 180.0° |
| H11 | C12 | C11 | H14 | 157.1° | 60.0° |
| H12 | C12 | C11 | H13 | 35.7° | 60.0° |
| H12 | C12 | C11 | H14 | 83.6° | 180.0° |
| H13 | C11 | C10 | H15 | 165.4° | 179.9° |
| H13 | C11 | C10 | H16 | 74.8° | 60.0° |
| H14 | C11 | C10 | H15 | 46.1° | 60.0° |
| H14 | C11 | C10 | H16 | 165.9° | 179.9° |
| H15 | C10 | C9 | H17 | 172.9° | 179.9° |
| H15 | C10 | C9 | H18 | 53.7° | 60.0° |
| H16 | C10 | C9 | H17 | 67.3° | 59.9° |
| H16 | C10 | C9 | H18 | 173.4° | 180.0° |
| H17 | C9 | C8 | H19 | 81.7° | 180.0° |
| H17 | C9 | C8 | H20 | 158.6° | 60.0° |
| H18 | C9 | C8 | H19 | 159.1° | 60.0° |
| H18 | C9 | C8 | H20 | 39.5° | 179.9° |
| H19 | C8 | C7 | H21 | 37.6° | 180.0° |
| H19 | C8 | C7 | H22 | 157.1° | 60.0° |
| H20 | C8 | C7 | H21 | 157.2° | 60.0° |
| H20 | C8 | C7 | H22 | 83.2° | 180.0° |
| H21 | C7 | C6 | H23 | 78.2° | 180.0° |
| H21 | C7 | C6 | H24 | 162.1° | 60.0° |
| H22 | C7 | C6 | H23 | 162.3° | 60.0° |
| H22 | C7 | C6 | H24 | 42.5° | 180.0° |
| H27 | C30 | H28 | H29 | 120.0° | 120.0° |
| H30 | C31 | H31 | H32 | 120.0° | 120.0° |
| H33 | C32 | O33 | H44 | 125.6° | 179.9° |
| H34 | C37 | C38 | H36 | 58.3° | 60.0° |
| H34 | C37 | C38 | H37 | 178.1° | 180.0° |
| H34 | C37 | N36 | H42 | 157.1° | 120.0° |
| H35 | C37 | C38 | H36 | 61.0° | 180.0° |
| H35 | C37 | C38 | H37 | 58.8° | 60.0° |
| H35 | C37 | N36 | H42 | 83.6° | 120.0° |
| H38 | C42 | C43 | H40 | 168.9° | 60.0° |
| H38 | C42 | C43 | H41 | 71.0° | 180.0° |
| H38 | C42 | N41 | H43 | 156.6° | 120.1° |
| H39 | C42 | C43 | H40 | 49.7° | 180.0° |
| H39 | C42 | C43 | H41 | 169.8° | 60.0° |
| H39 | C42 | N41 | H43 | 37.4° | 119.9° |
