1F7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.49Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| O3C | C3 | sing | 1.43Å | 1.36Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C31 | C29 | sing | 1.53Å | 1.52Å | |
| O40 | C39 | doub | 1.21Å | 1.24Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C39 | C38 | sing | 1.51Å | 1.51Å | |
| C39 | N41 | sing | 1.35Å | 1.43Å | |
| O35 | C34 | doub | 1.21Å | 1.23Å | |
| C29 | C28 | sing | 1.53Å | 1.50Å | |
| C29 | C32 | sing | 1.53Å | 1.51Å | |
| C42 | N41 | sing | 1.47Å | 1.42Å | |
| C42 | C43 | sing | 1.53Å | 1.51Å | |
| C1 | O1C | doub | 1.21Å | 1.22Å | |
| C1 | S44 | sing | 1.71Å | 1.78Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C28 | O3P | sing | 1.43Å | 1.38Å | |
| O3P | P | sing | 1.61Å | 1.58Å | |
| C34 | C32 | sing | 1.51Å | 1.53Å | |
| C34 | N36 | sing | 1.35Å | 1.44Å | |
| S44 | C43 | sing | 1.81Å | 1.80Å | |
| C32 | O33 | sing | 1.43Å | 1.37Å | |
| C37 | N36 | sing | 1.47Å | 1.46Å | |
| O1P | P | doub | 1.48Å | 1.54Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| P | O1 | sing | 1.61Å | 1.52Å | |
| O2P | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O3C | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| O33 | H38 | sing | 0.97Å | 0.95Å | |
| N36 | H39 | sing | 0.97Å | 1.00Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| N41 | H44 | sing | 0.97Å | 1.00Å | |
| C42 | H45 | sing | 1.09Å | 1.10Å | |
| C42 | H46 | sing | 1.09Å | 1.10Å | |
| C43 | H47 | sing | 1.09Å | 1.10Å | |
| C43 | H48 | sing | 1.09Å | 1.10Å | |
| O1 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 117.5° | 109.5° |
| C14 | C13 | H24 | 107.4° | 109.5° |
| C14 | C13 | H25 | 107.4° | 109.5° |
| C13 | C14 | H26 | 109.5° | 109.5° |
| C13 | C14 | H27 | 109.5° | 109.5° |
| C13 | C14 | H28 | 109.4° | 109.5° |
| C6 | C7 | C8 | 118.9° | 109.5° |
| C7 | C6 | C5 | 118.0° | 109.5° |
| C7 | C6 | H10 | 107.3° | 109.5° |
| C7 | C6 | H11 | 107.3° | 109.5° |
| C6 | C7 | H12 | 107.1° | 109.5° |
| C6 | C7 | H13 | 107.1° | 109.5° |
| C7 | C8 | C9 | 115.1° | 109.5° |
| C8 | C7 | H12 | 107.0° | 109.4° |
| C8 | C7 | H13 | 107.0° | 109.5° |
| C7 | C8 | H14 | 108.0° | 109.4° |
| C7 | C8 | H15 | 108.0° | 109.5° |
| C13 | C12 | C11 | 117.8° | 109.5° |
| C13 | C12 | H22 | 107.4° | 109.5° |
| C13 | C12 | H23 | 107.3° | 109.5° |
| C12 | C13 | H24 | 107.5° | 109.5° |
| C12 | C13 | H25 | 107.4° | 109.5° |
| C10 | C9 | C8 | 119.4° | 109.5° |
| C9 | C10 | C11 | 116.2° | 109.5° |
| C10 | C9 | H16 | 106.9° | 109.5° |
| C10 | C9 | H17 | 106.9° | 109.5° |
| C9 | C10 | H18 | 107.8° | 109.4° |
| C9 | C10 | H19 | 107.7° | 109.5° |
| C9 | C8 | H14 | 108.0° | 109.5° |
| C9 | C8 | H15 | 108.0° | 109.5° |
| C8 | C9 | H16 | 106.9° | 109.5° |
| C8 | C9 | H17 | 106.9° | 109.5° |
| C6 | C5 | C4 | 114.9° | 109.5° |
| C6 | C5 | H8 | 108.1° | 109.5° |
| C6 | C5 | H9 | 108.1° | 109.5° |
| C5 | C6 | H10 | 107.3° | 109.5° |
| C5 | C6 | H11 | 107.3° | 109.5° |
| C12 | C11 | C10 | 117.1° | 109.5° |
| C12 | C11 | H20 | 107.5° | 109.5° |
| C12 | C11 | H21 | 107.5° | 109.5° |
| C11 | C12 | H22 | 107.4° | 109.5° |
| C11 | C12 | H23 | 107.4° | 109.5° |
| C11 | C10 | H18 | 107.8° | 109.5° |
| C11 | C10 | H19 | 107.8° | 109.5° |
| C10 | C11 | H20 | 107.5° | 109.4° |
| C10 | C11 | H21 | 107.5° | 109.5° |
| C5 | C4 | C3 | 119.5° | 109.5° |
| C5 | C4 | H6 | 106.9° | 109.4° |
| C5 | C4 | H7 | 106.9° | 109.5° |
| C4 | C5 | H8 | 108.1° | 109.5° |
| C4 | C5 | H9 | 108.1° | 109.5° |
| C4 | C3 | O3C | 109.3° | 109.5° |
| C4 | C3 | C2 | 112.6° | 109.5° |
| C4 | C3 | H4 | 107.8° | 109.5° |
| C3 | C4 | H6 | 106.9° | 109.5° |
| C3 | C4 | H7 | 106.9° | 109.5° |
| O3C | C3 | C2 | 109.4° | 109.5° |
| O3C | C3 | H4 | 110.0° | 109.5° |
| C3 | O3C | H5 | 109.5° | 114.0° |
| C3 | C2 | C1 | 118.8° | 109.5° |
| C3 | C2 | H2 | 107.1° | 109.5° |
| C3 | C2 | H3 | 107.1° | 109.4° |
| C2 | C3 | H4 | 107.8° | 109.4° |
| C31 | C29 | C30 | 108.8° | 109.4° |
| C31 | C29 | C28 | 106.1° | 109.5° |
| C31 | C29 | C32 | 116.3° | 109.5° |
| C29 | C31 | H34 | 109.5° | 109.4° |
| C29 | C31 | H35 | 109.5° | 109.5° |
| C29 | C31 | H36 | 109.5° | 109.4° |
| O40 | C39 | C38 | 120.0° | 120.1° |
| O40 | C39 | N41 | 121.6° | 120.0° |
| C30 | C29 | C28 | 111.6° | 109.5° |
| C30 | C29 | C32 | 105.3° | 109.5° |
| C29 | C30 | H31 | 109.5° | 109.5° |
| C29 | C30 | H32 | 109.5° | 109.5° |
| C29 | C30 | H33 | 109.5° | 109.4° |
| C2 | C1 | O1C | 121.3° | 120.0° |
| C2 | C1 | S44 | 116.9° | 120.0° |
| C1 | C2 | H2 | 107.1° | 109.5° |
| C1 | C2 | H3 | 107.1° | 109.4° |
| C38 | C39 | N41 | 118.4° | 120.0° |
| C39 | C38 | C37 | 114.9° | 109.4° |
| C39 | C38 | H42 | 108.1° | 109.5° |
| C39 | C38 | H43 | 108.1° | 109.5° |
| C39 | N41 | C42 | 118.8° | 120.0° |
| C39 | N41 | H44 | 120.6° | 120.0° |
| O35 | C34 | C32 | 123.9° | 120.0° |
| O35 | C34 | N36 | 120.1° | 120.0° |
| C28 | C29 | C32 | 108.9° | 109.5° |
| C29 | C28 | O3P | 115.5° | 109.5° |
| C29 | C28 | H29 | 107.9° | 109.4° |
| C29 | C28 | H30 | 107.9° | 109.5° |
| C29 | C32 | C34 | 116.9° | 109.4° |
| C29 | C32 | O33 | 115.1° | 109.5° |
| C29 | C32 | H37 | 105.5° | 109.5° |
| N41 | C42 | C43 | 114.3° | 109.5° |
| C42 | N41 | H44 | 120.6° | 120.0° |
| N41 | C42 | H45 | 108.3° | 109.5° |
| N41 | C42 | H46 | 108.3° | 109.4° |
| C42 | C43 | S44 | 117.5° | 109.5° |
| C43 | C42 | H45 | 108.2° | 109.5° |
| C43 | C42 | H46 | 108.3° | 109.5° |
| C42 | C43 | H47 | 107.5° | 109.5° |
| C42 | C43 | H48 | 107.5° | 109.5° |
| O1C | C1 | S44 | 119.6° | 120.0° |
| C1 | S44 | C43 | 110.8° | 100.0° |
| C38 | C37 | N36 | 113.4° | 109.5° |
| C38 | C37 | H40 | 108.5° | 109.5° |
| C38 | C37 | H41 | 108.5° | 109.5° |
| C37 | C38 | H42 | 108.1° | 109.5° |
| C37 | C38 | H43 | 108.1° | 109.4° |
| C28 | O3P | P | 119.1° | 123.0° |
| O3P | C28 | H29 | 107.9° | 109.4° |
| O3P | C28 | H30 | 108.0° | 109.5° |
| O3P | P | O1P | 110.4° | 109.5° |
| O3P | P | O2P | 110.4° | 109.5° |
| O3P | P | O1 | 95.0° | 109.4° |
| C32 | C34 | N36 | 116.0° | 120.0° |
| C34 | C32 | O33 | 106.2° | 109.5° |
| C34 | C32 | H37 | 105.3° | 109.5° |
| C34 | N36 | C37 | 117.7° | 120.1° |
| C34 | N36 | H39 | 121.1° | 120.0° |
| S44 | C43 | H47 | 107.4° | 109.5° |
| S44 | C43 | H48 | 107.4° | 109.5° |
| O33 | C32 | H37 | 107.1° | 109.4° |
| C32 | O33 | H38 | 109.5° | 114.0° |
| C37 | N36 | H39 | 121.1° | 120.0° |
| N36 | C37 | H40 | 108.5° | 109.4° |
| N36 | C37 | H41 | 108.5° | 109.5° |
| O1P | P | O2P | 107.4° | 109.5° |
| O1P | P | O1 | 121.5° | 109.5° |
| O2P | P | O1 | 111.4° | 109.5° |
| P | O2P | H1 | 109.5° | 114.0° |
| P | O1 | H49 | 109.5° | 114.0° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.4° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H24 | C13 | H25 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.4° | 109.5° |
| H26 | C14 | H28 | 109.5° | 109.4° |
| H27 | C14 | H28 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.5° | 109.4° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H31 | C30 | H33 | 109.5° | 109.5° |
| H32 | C30 | H33 | 109.5° | 109.5° |
| H34 | C31 | H35 | 109.5° | 109.5° |
| H34 | C31 | H36 | 109.5° | 109.5° |
| H35 | C31 | H36 | 109.4° | 109.5° |
| H40 | C37 | H41 | 109.5° | 109.4° |
| H42 | C38 | H43 | 109.5° | 109.5° |
| H45 | C42 | H46 | 109.5° | 109.5° |
| H47 | C43 | H48 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H24 | 121.2° | 120.0° |
| C14 | C13 | C12 | H25 | 121.1° | 120.0° |
| C14 | C13 | C12 | C11 | 40.4° | 180.0° |
| C14 | C13 | C12 | H22 | 80.8° | 60.0° |
| C14 | C13 | C12 | H23 | 161.6° | 60.0° |
| C14 | C13 | H24 | H25 | 116.4° | 120.0° |
| C13 | C14 | H26 | H27 | 120.0° | 120.0° |
| C13 | C14 | H26 | H28 | 120.0° | 120.0° |
| C13 | C14 | H27 | H28 | 120.0° | 120.0° |
| C6 | C7 | C8 | H12 | 121.3° | 120.0° |
| C6 | C7 | C8 | H13 | 121.4° | 120.0° |
| C6 | C7 | C8 | C9 | 143.4° | 180.0° |
| C7 | C6 | C5 | H10 | 121.2° | 120.0° |
| C7 | C6 | C5 | H11 | 121.2° | 120.0° |
| C7 | C6 | C5 | C4 | 155.4° | 180.0° |
| C7 | C6 | C5 | H8 | 34.6° | 60.0° |
| C7 | C6 | C5 | H9 | 83.8° | 60.0° |
| C7 | C6 | H10 | H11 | 116.1° | 120.0° |
| C6 | C7 | H12 | H13 | 115.7° | 120.0° |
| C6 | C7 | C8 | H14 | 22.6° | 60.0° |
| C6 | C7 | C8 | H15 | 95.7° | 60.0° |
| C7 | C8 | C9 | C10 | 135.3° | 180.0° |
| C7 | C8 | C9 | H14 | 120.8° | 120.0° |
| C7 | C8 | C9 | H15 | 120.8° | 120.0° |
| C8 | C7 | C6 | C5 | 74.3° | 180.0° |
| C8 | C7 | C6 | H10 | 46.9° | 60.0° |
| C8 | C7 | C6 | H11 | 164.5° | 60.0° |
| C8 | C7 | H12 | H13 | 115.7° | 120.0° |
| C7 | C8 | H14 | H15 | 117.4° | 120.0° |
| C7 | C8 | C9 | H16 | 103.3° | 60.0° |
| C7 | C8 | C9 | H17 | 13.9° | 59.9° |
| C13 | C12 | C11 | H22 | 121.2° | 120.0° |
| C13 | C12 | C11 | H23 | 121.2° | 120.0° |
| C13 | C12 | C11 | C10 | 158.9° | 180.0° |
| C13 | C12 | C11 | H20 | 79.9° | 60.0° |
| C13 | C12 | C11 | H21 | 37.8° | 60.0° |
| C13 | C12 | H22 | H23 | 116.2° | 120.0° |
| C12 | C13 | H24 | H25 | 116.4° | 120.0° |
| C12 | C13 | C14 | H26 | 180.0° | 60.0° |
| C12 | C13 | C14 | H27 | 60.0° | 60.0° |
| C12 | C13 | C14 | H28 | 60.0° | 180.0° |
| C10 | C9 | C8 | H16 | 121.4° | 120.0° |
| C10 | C9 | C8 | H17 | 121.4° | 120.1° |
| C9 | C10 | C11 | C12 | 138.8° | 180.0° |
| C9 | C10 | C11 | H18 | 121.0° | 120.0° |
| C9 | C10 | C11 | H19 | 121.0° | 120.0° |
| C10 | C9 | C8 | H14 | 103.9° | 60.0° |
| C10 | C9 | C8 | H15 | 14.5° | 60.0° |
| C10 | C9 | H16 | H17 | 115.5° | 119.9° |
| C9 | C10 | H18 | H19 | 116.9° | 120.0° |
| C9 | C10 | C11 | H20 | 100.1° | 60.0° |
| C9 | C10 | C11 | H21 | 17.7° | 60.0° |
| C8 | C9 | C10 | C11 | 131.5° | 180.0° |
| C9 | C8 | C7 | H12 | 95.2° | 60.0° |
| C9 | C8 | C7 | H13 | 22.0° | 60.0° |
| C9 | C8 | H14 | H15 | 117.4° | 120.0° |
| C8 | C9 | H16 | H17 | 115.5° | 120.0° |
| C8 | C9 | C10 | H18 | 10.5° | 60.0° |
| C8 | C9 | C10 | H19 | 107.5° | 60.0° |
| C6 | C5 | C4 | H8 | 120.8° | 120.0° |
| C6 | C5 | C4 | H9 | 120.8° | 120.0° |
| C6 | C5 | C4 | C3 | 130.2° | NaN° |
| C6 | C5 | C4 | H6 | 8.8° | 60.0° |
| C6 | C5 | C4 | H7 | 108.4° | 60.0° |
| C6 | C5 | H8 | H9 | 117.5° | 120.0° |
| C5 | C6 | H10 | H11 | 116.1° | 120.0° |
| C5 | C6 | C7 | H12 | 47.0° | 60.0° |
| C5 | C6 | C7 | H13 | 164.3° | 60.0° |
| C12 | C11 | C10 | H20 | 121.1° | 120.0° |
| C12 | C11 | C10 | H21 | 121.1° | 120.0° |
| C12 | C11 | C10 | H18 | 100.2° | 60.0° |
| C12 | C11 | C10 | H19 | 17.8° | 60.0° |
| C12 | C11 | H20 | H21 | 116.5° | 120.0° |
| C11 | C12 | H22 | H23 | 116.2° | 120.0° |
| C11 | C12 | C13 | H24 | 161.6° | 60.0° |
| C11 | C12 | C13 | H25 | 80.7° | 60.0° |
| C11 | C10 | C9 | H16 | 10.1° | 60.0° |
| C11 | C10 | C9 | H17 | 107.1° | 59.9° |
| C11 | C10 | H18 | H19 | 116.9° | 120.0° |
| C10 | C11 | H20 | H21 | 116.5° | 120.0° |
| C10 | C11 | C12 | H22 | 37.7° | 60.0° |
| C10 | C11 | C12 | H23 | 79.9° | 60.0° |
| C5 | C4 | C3 | H6 | 121.4° | 120.0° |
| C5 | C4 | C3 | H7 | 121.4° | 120.0° |
| C5 | C4 | C3 | O3C | 179.8° | 65.0° |
| C5 | C4 | C3 | C2 | 58.4° | 174.9° |
| C5 | C4 | C3 | H4 | 60.3° | 55.0° |
| C5 | C4 | H6 | H7 | 115.4° | 120.0° |
| C4 | C5 | H8 | H9 | 117.6° | 120.0° |
| C4 | C5 | C6 | H10 | 83.4° | 60.0° |
| C4 | C5 | C6 | H11 | 34.2° | 60.0° |
| C4 | C3 | O3C | C2 | 123.7° | 120.0° |
| C4 | C3 | O3C | H4 | 118.1° | 120.0° |
| C4 | C3 | C2 | H4 | 118.7° | 120.0° |
| C4 | C3 | C2 | C1 | 74.7° | 175.0° |
| C4 | C3 | C2 | H2 | 164.0° | 55.0° |
| C4 | C3 | C2 | H3 | 46.6° | 65.1° |
| C4 | C3 | O3C | H5 | 180.0° | 60.0° |
| C3 | C4 | H6 | H7 | 115.5° | 120.0° |
| C3 | C4 | C5 | H8 | 109.0° | 60.0° |
| C3 | C4 | C5 | H9 | 9.4° | 60.0° |
| O3C | C3 | C2 | H4 | 119.6° | 120.0° |
| O3C | C3 | C2 | C1 | 163.6° | 65.0° |
| O3C | C3 | C2 | H2 | 42.3° | 175.0° |
| O3C | C3 | C2 | H3 | 75.1° | 55.0° |
| O3C | C3 | C4 | H6 | 58.4° | 175.0° |
| O3C | C3 | C4 | H7 | 58.8° | 55.0° |
| C3 | C2 | C1 | H2 | 121.3° | 120.0° |
| C3 | C2 | C1 | H3 | 121.3° | 119.9° |
| C3 | C2 | C1 | O1C | 55.5° | 0.1° |
| C3 | C2 | C1 | S44 | 141.7° | 180.0° |
| C3 | C2 | H2 | H3 | 115.8° | 120.0° |
| C2 | C3 | O3C | H5 | 56.3° | 60.0° |
| C2 | C3 | C4 | H6 | 179.8° | 55.0° |
| C2 | C3 | C4 | H7 | 63.0° | 65.0° |
| C31 | C29 | C30 | C28 | 116.7° | 120.0° |
| C31 | C29 | C30 | C32 | 125.3° | 120.0° |
| C31 | C29 | C28 | C32 | 125.8° | 120.0° |
| C31 | C29 | C28 | O3P | 38.7° | 59.9° |
| C31 | C29 | C32 | C34 | 50.4° | 65.4° |
| C31 | C29 | C32 | O33 | 75.2° | 174.6° |
| C31 | C29 | C28 | H29 | 82.1° | 60.0° |
| C31 | C29 | C28 | H30 | 159.6° | 180.0° |
| C31 | C29 | C30 | H31 | 180.0° | 54.7° |
| C31 | C29 | C30 | H32 | 60.0° | 65.3° |
| C31 | C29 | C30 | H33 | 60.0° | 174.7° |
| C29 | C31 | H34 | H35 | 120.0° | 120.0° |
| C29 | C31 | H34 | H36 | 120.0° | 119.9° |
| C29 | C31 | H35 | H36 | 120.0° | 120.0° |
| C31 | C29 | C32 | H37 | 167.0° | 54.6° |
| O40 | C39 | C38 | N41 | 179.8° | 180.0° |
| O40 | C39 | N41 | C42 | 0.4° | 0.0° |
| O40 | C39 | C38 | C37 | 76.4° | 0.0° |
| O40 | C39 | C38 | H42 | 44.4° | 120.0° |
| O40 | C39 | C38 | H43 | 162.8° | 120.0° |
| O40 | C39 | N41 | H44 | 179.6° | 180.0° |
| C30 | C29 | C28 | C32 | 115.8° | 120.0° |
| C30 | C29 | C28 | O3P | 157.1° | 60.0° |
| C30 | C29 | C32 | C34 | 70.1° | 174.6° |
| C30 | C29 | C32 | O33 | 164.3° | 54.7° |
| C30 | C29 | C28 | H29 | 36.2° | 180.0° |
| C30 | C29 | C28 | H30 | 82.0° | 60.0° |
| C29 | C30 | H31 | H32 | 120.0° | 120.0° |
| C29 | C30 | H31 | H33 | 120.0° | 120.0° |
| C29 | C30 | H32 | H33 | 120.0° | 119.9° |
| C30 | C29 | C31 | H34 | 180.0° | 172.9° |
| C30 | C29 | C31 | H35 | 60.0° | 67.1° |
| C30 | C29 | C31 | H36 | 60.0° | 52.9° |
| C30 | C29 | C32 | H37 | 46.5° | 65.3° |
| C2 | C1 | O1C | S44 | 162.4° | 179.9° |
| C2 | C1 | S44 | C43 | 154.9° | 180.0° |
| C1 | C2 | H2 | H3 | 115.8° | 120.0° |
| C1 | C2 | C3 | H4 | 44.0° | 55.1° |
| C38 | C39 | N41 | C42 | 179.8° | 180.0° |
| C39 | C38 | C37 | H42 | 120.8° | 120.0° |
| C39 | C38 | C37 | H43 | 120.8° | 120.0° |
| C39 | C38 | C37 | N36 | 179.7° | 180.0° |
| C39 | C38 | C37 | H40 | 59.7° | 60.0° |
| C39 | C38 | C37 | H41 | 59.1° | 60.0° |
| C39 | C38 | H42 | H43 | 117.5° | 120.0° |
| C38 | C39 | N41 | H44 | 0.2° | 0.0° |
| C39 | N41 | C42 | H44 | 180.0° | 180.0° |
| C39 | N41 | C42 | C43 | 88.0° | 180.0° |
| N41 | C39 | C38 | C37 | 103.8° | 180.0° |
| N41 | C39 | C38 | H42 | 135.4° | 60.0° |
| N41 | C39 | C38 | H43 | 17.0° | 60.0° |
| C39 | N41 | C42 | H45 | 151.3° | 60.0° |
| C39 | N41 | C42 | H46 | 32.7° | 60.0° |
| O35 | C34 | C32 | C29 | 39.8° | 106.1° |
| O35 | C34 | C32 | N36 | 179.3° | 179.9° |
| O35 | C34 | C32 | O33 | 90.2° | 13.8° |
| O35 | C34 | N36 | C37 | 1.0° | 4.9° |
| O35 | C34 | C32 | H37 | 156.4° | 133.8° |
| O35 | C34 | N36 | H39 | 179.0° | 175.0° |
| C29 | C28 | O3P | H29 | 120.9° | 120.0° |
| C29 | C28 | O3P | H30 | 120.9° | 120.1° |
| C29 | C28 | O3P | P | 116.2° | 180.0° |
| C28 | C29 | C32 | C34 | 170.1° | 54.6° |
| C28 | C29 | C32 | O33 | 44.5° | 65.4° |
| C29 | C28 | H29 | H30 | 117.2° | 120.0° |
| C28 | C29 | C30 | H31 | 63.3° | 65.3° |
| C28 | C29 | C30 | H32 | 56.7° | 174.7° |
| C28 | C29 | C30 | H33 | 176.7° | 54.7° |
| C28 | C29 | C31 | H34 | 59.8° | 52.9° |
| C28 | C29 | C31 | H35 | 179.8° | 172.9° |
| C28 | C29 | C31 | H36 | 60.2° | 67.1° |
| C28 | C29 | C32 | H37 | 73.3° | 174.7° |
| C32 | C29 | C28 | O3P | 87.1° | 179.9° |
| C29 | C32 | C34 | O33 | 130.0° | 120.0° |
| C29 | C32 | C34 | H37 | 116.7° | 120.1° |
| C29 | C32 | C34 | N36 | 141.0° | 73.9° |
| C29 | C32 | O33 | H37 | 116.9° | 120.0° |
| C32 | C29 | C28 | H29 | 152.0° | 60.0° |
| C32 | C29 | C28 | H30 | 33.8° | 60.0° |
| C32 | C29 | C30 | H31 | 54.7° | 174.7° |
| C32 | C29 | C30 | H32 | 174.7° | 54.6° |
| C32 | C29 | C30 | H33 | 65.3° | 65.3° |
| C32 | C29 | C31 | H34 | 61.4° | 67.1° |
| C32 | C29 | C31 | H35 | 58.6° | 52.8° |
| C32 | C29 | C31 | H36 | 178.6° | 172.9° |
| C29 | C32 | O33 | H38 | 180.0° | 60.0° |
| N41 | C42 | C43 | H45 | 120.7° | 120.0° |
| N41 | C42 | C43 | H46 | 120.7° | 120.0° |
| N41 | C42 | C43 | S44 | 169.9° | 180.0° |
| N41 | C42 | H45 | H46 | 117.8° | 120.0° |
| N41 | C42 | C43 | H47 | 68.9° | 60.0° |
| N41 | C42 | C43 | H48 | 48.8° | 59.9° |
| C42 | C43 | S44 | C1 | 26.3° | 180.0° |
| C42 | C43 | S44 | H47 | 121.2° | 120.0° |
| C42 | C43 | S44 | H48 | 121.2° | 120.0° |
| C43 | C42 | N41 | H44 | 92.0° | 0.0° |
| C43 | C42 | H45 | H46 | 117.8° | 120.0° |
| C42 | C43 | H47 | H48 | 116.4° | 120.0° |
| O1C | C1 | S44 | C43 | 42.0° | 0.0° |
| O1C | C1 | C2 | H2 | 65.8° | 120.0° |
| O1C | C1 | C2 | H3 | 176.8° | 120.0° |
| S44 | C1 | C2 | H2 | 97.0° | 60.0° |
| S44 | C1 | C2 | H3 | 20.4° | 60.1° |
| C1 | S44 | C43 | H47 | 147.5° | 60.0° |
| C1 | S44 | C43 | H48 | 94.9° | 60.0° |
| C38 | C37 | N36 | C34 | 85.3° | 180.0° |
| C38 | C37 | N36 | H40 | 120.6° | 120.0° |
| C38 | C37 | N36 | H41 | 120.6° | 120.1° |
| C38 | C37 | N36 | H39 | 94.8° | 0.0° |
| C38 | C37 | H40 | H41 | 118.2° | 120.1° |
| C37 | C38 | H42 | H43 | 117.6° | 120.0° |
| C28 | O3P | P | O1P | 172.4° | 54.9° |
| C28 | O3P | P | O2P | 53.8° | 65.1° |
| C28 | O3P | P | O1 | 61.3° | 174.9° |
| O3P | C28 | H29 | H30 | 117.3° | 120.0° |
| O3P | P | O1P | O2P | 120.5° | 120.0° |
| O3P | P | O1P | O1 | 109.7° | 120.0° |
| O3P | P | O2P | O1 | 104.2° | 120.0° |
| O3P | P | O2P | H1 | 120.5° | 60.0° |
| P | O3P | C28 | H29 | 122.9° | 60.1° |
| P | O3P | C28 | H30 | 4.7° | 59.9° |
| O3P | P | O1 | H49 | 117.7° | 180.0° |
| C34 | C32 | O33 | H37 | 112.1° | 120.0° |
| C32 | C34 | N36 | C37 | 179.7° | 175.0° |
| C34 | C32 | O33 | H38 | 49.0° | 60.0° |
| C32 | C34 | N36 | H39 | 0.3° | 5.0° |
| N36 | C34 | C32 | O33 | 89.1° | 166.1° |
| C34 | N36 | C37 | H39 | 180.0° | 180.0° |
| N36 | C34 | C32 | H37 | 24.3° | 46.1° |
| C34 | N36 | C37 | H40 | 154.1° | 60.0° |
| C34 | N36 | C37 | H41 | 35.3° | 59.9° |
| S44 | C43 | C42 | H45 | 49.2° | 60.0° |
| S44 | C43 | C42 | H46 | 69.4° | 60.0° |
| S44 | C43 | H47 | H48 | 116.3° | 120.0° |
| N36 | C37 | H40 | H41 | 118.2° | 119.9° |
| N36 | C37 | C38 | H42 | 58.9° | 60.0° |
| N36 | C37 | C38 | H43 | 59.5° | 60.0° |
| O1P | P | O2P | O1 | 135.3° | 120.0° |
| O1P | P | O2P | H1 | 0.0° | 180.0° |
| O1P | P | O1 | H49 | 0.0° | 60.0° |
| O2P | P | O1 | H49 | 128.1° | 60.0° |
| O1 | P | O2P | H1 | 135.3° | 60.0° |
| H2 | C2 | C3 | H4 | 77.3° | 65.0° |
| H3 | C2 | C3 | H4 | 165.4° | 175.0° |
| H4 | C3 | O3C | H5 | 61.9° | 180.0° |
| H4 | C3 | C4 | H6 | 61.1° | 65.0° |
| H4 | C3 | C4 | H7 | 178.3° | 175.0° |
| H6 | C4 | C5 | H8 | 129.6° | 180.0° |
| H6 | C4 | C5 | H9 | 112.0° | 60.0° |
| H7 | C4 | C5 | H8 | 12.4° | 60.0° |
| H7 | C4 | C5 | H9 | 130.8° | 180.0° |
| H8 | C5 | C6 | H10 | 155.8° | 180.0° |
| H8 | C5 | C6 | H11 | 86.6° | 60.0° |
| H9 | C5 | C6 | H10 | 37.4° | 60.0° |
| H9 | C5 | C6 | H11 | 155.0° | 180.0° |
| H10 | C6 | C7 | H12 | 168.3° | 180.0° |
| H10 | C6 | C7 | H13 | 74.4° | 60.0° |
| H11 | C6 | C7 | H12 | 74.2° | 60.0° |
| H11 | C6 | C7 | H13 | 43.1° | 180.0° |
| H12 | C7 | C8 | H14 | 143.9° | 180.0° |
| H12 | C7 | C8 | H15 | 25.6° | 60.0° |
| H13 | C7 | C8 | H14 | 98.8° | 60.0° |
| H13 | C7 | C8 | H15 | 142.9° | NaN° |
| H14 | C8 | C9 | H16 | 17.5° | 180.0° |
| H14 | C8 | C9 | H17 | 134.7° | 60.1° |
| H15 | C8 | C9 | H16 | 135.8° | 60.1° |
| H15 | C8 | C9 | H17 | 107.0° | 180.0° |
| H16 | C9 | C10 | H18 | 110.9° | 180.0° |
| H16 | C9 | C10 | H19 | 131.1° | 60.1° |
| H17 | C9 | C10 | H18 | 131.9° | 60.1° |
| H17 | C9 | C10 | H19 | 13.9° | 180.0° |
| H18 | C10 | C11 | H20 | 20.9° | 180.0° |
| H18 | C10 | C11 | H21 | 138.7° | 60.0° |
| H19 | C10 | C11 | H20 | 139.0° | 60.0° |
| H19 | C10 | C11 | H21 | 103.2° | 180.0° |
| H20 | C11 | C12 | H22 | 158.9° | 180.0° |
| H20 | C11 | C12 | H23 | 41.2° | 60.0° |
| H21 | C11 | C12 | H22 | 83.4° | 60.0° |
| H21 | C11 | C12 | H23 | 159.0° | 180.0° |
| H22 | C12 | C13 | H24 | 40.3° | 180.0° |
| H22 | C12 | C13 | H25 | 158.1° | 60.0° |
| H23 | C12 | C13 | H24 | 77.2° | 60.0° |
| H23 | C12 | C13 | H25 | 40.5° | 180.0° |
| H24 | C13 | C14 | H26 | 58.8° | 180.0° |
| H24 | C13 | C14 | H27 | 61.1° | 60.0° |
| H24 | C13 | C14 | H28 | 178.8° | 60.1° |
| H25 | C13 | C14 | H26 | 58.9° | 60.0° |
| H25 | C13 | C14 | H27 | 178.9° | 180.0° |
| H25 | C13 | C14 | H28 | 61.1° | 60.0° |
| H26 | C14 | H27 | H28 | 120.0° | 120.0° |
| H31 | C30 | H32 | H33 | 120.0° | 120.1° |
| H34 | C31 | H35 | H36 | 120.0° | 120.1° |
| H37 | C32 | O33 | H38 | 63.1° | 180.0° |
| H39 | N36 | C37 | H40 | 25.8° | 120.0° |
| H39 | N36 | C37 | H41 | 144.7° | 120.1° |
| H40 | C37 | C38 | H42 | 179.5° | 179.9° |
| H40 | C37 | C38 | H43 | 61.0° | 60.0° |
| H41 | C37 | C38 | H42 | 61.7° | 60.1° |
| H41 | C37 | C38 | H43 | 179.9° | 180.0° |
| H44 | N41 | C42 | H45 | 28.7° | 120.0° |
| H44 | N41 | C42 | H46 | 147.3° | 120.0° |
| H45 | C42 | C43 | H47 | 170.4° | 180.0° |
| H45 | C42 | C43 | H48 | 71.9° | 60.0° |
| H46 | C42 | C43 | H47 | 51.8° | 60.0° |
| H46 | C42 | C43 | H48 | 169.5° | 179.9° |
