LLE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | P24 | sing | 1.72Å | 1.46Å | |
| P24 | O26 | sing | 1.72Å | 1.45Å | |
| P24 | O27 | sing | 1.72Å | 1.54Å | |
| O33 | C32 | sing | 1.43Å | 1.41Å | |
| C28 | O27 | sing | 1.43Å | 1.38Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C32 | C29 | sing | 1.53Å | 1.49Å | |
| C32 | C34 | sing | 1.51Å | 1.48Å | |
| C29 | C31 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| C34 | N36 | sing | 1.35Å | 1.31Å | |
| C34 | O35 | doub | 1.21Å | 1.20Å | |
| N36 | C37 | sing | 1.47Å | 1.44Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | C39 | sing | 1.51Å | 1.50Å | |
| C39 | N41 | sing | 1.35Å | 1.32Å | |
| C39 | O40 | doub | 1.21Å | 1.20Å | |
| N41 | C42 | sing | 1.46Å | 1.45Å | |
| O19 | C11 | sing | 1.43Å | 1.44Å | |
| O23 | C3 | doub | 1.22Å | 1.20Å | |
| S44 | C11 | sing | 1.81Å | 1.78Å | |
| S44 | C12 | sing | 1.81Å | 1.75Å | |
| O20 | C9 | sing | 1.35Å | 1.30Å | |
| C42 | C12 | sing | 1.53Å | 1.53Å | |
| O21 | C7 | sing | 1.35Å | 1.31Å | |
| C11 | C10 | sing | 1.53Å | 1.48Å | |
| C3 | C10 | sing | 1.51Å | 1.48Å | |
| C3 | C2 | sing | 1.39Å | 1.40Å | |
| C9 | C2 | doub | 1.39Å | 1.28Å | |
| C9 | C8 | sing | 1.40Å | 1.43Å | |
| C7 | C8 | doub | 1.38Å | 1.28Å | |
| C7 | C6 | sing | 1.42Å | 1.45Å | |
| O22 | C5 | sing | 1.35Å | 1.32Å | |
| C6 | C5 | doub | 1.35Å | 1.30Å | |
| C5 | C4 | sing | 1.51Å | 1.48Å | |
| O24 | C43 | doub | 1.21Å | 1.20Å | |
| C4 | C43 | sing | 1.51Å | 1.48Å | |
| C43 | C13 | sing | 1.51Å | 1.49Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| O25 | H12 | sing | 0.97Å | 0.95Å | |
| O26 | H13 | sing | 0.97Å | 0.95Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| O33 | H21 | sing | 0.97Å | 0.95Å | |
| N36 | H22 | sing | 0.97Å | 1.00Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| N41 | H27 | sing | 0.97Å | 1.00Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| C42 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| O19 | H33 | sing | 0.97Å | 0.95Å | |
| C2 | H34 | sing | 1.08Å | 1.08Å | |
| O20 | H35 | sing | 0.97Å | 0.95Å | |
| O21 | H36 | sing | 0.97Å | 0.95Å | |
| O22 | H37 | sing | 0.97Å | 0.95Å | |
| P24 | O1 | sing | 1.72Å | 1.55Å | |
| O1 | H39 | sing | 0.97Å | 0.95Å | |
| P24 | H38 | sing | 1.47Å | 38.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | P24 | O26 | 107.4° | 90.0° |
| O25 | P24 | O27 | 116.9° | 90.0° |
| P24 | O25 | H12 | 109.5° | 114.0° |
| O25 | P24 | O1 | 109.3° | 90.0° |
| O25 | P24 | H38 | 133.5° | 180.0° |
| O26 | P24 | O27 | 98.5° | 120.0° |
| P24 | O26 | H13 | 109.5° | 114.0° |
| O26 | P24 | O1 | 110.4° | 120.0° |
| O26 | P24 | H38 | 118.4° | 90.0° |
| P24 | O27 | C28 | 120.8° | 114.0° |
| O27 | P24 | O1 | 113.6° | 120.0° |
| O27 | P24 | H38 | 65.6° | 90.0° |
| O33 | C32 | C29 | 103.3° | 109.5° |
| O33 | C32 | C34 | 112.4° | 109.5° |
| O33 | C32 | H20 | 109.6° | 109.5° |
| C32 | O33 | H21 | 109.5° | 114.0° |
| O27 | C28 | C29 | 109.7° | 109.5° |
| O27 | C28 | H10 | 109.4° | 109.4° |
| O27 | C28 | H11 | 109.4° | 109.5° |
| C28 | C29 | C32 | 102.9° | 109.4° |
| C28 | C29 | C31 | 113.5° | 109.5° |
| C28 | C29 | C30 | 108.3° | 109.5° |
| C29 | C28 | H10 | 109.4° | 109.5° |
| C29 | C28 | H11 | 109.4° | 109.5° |
| C29 | C32 | C34 | 114.2° | 109.5° |
| C32 | C29 | C31 | 111.9° | 109.5° |
| C32 | C29 | C30 | 111.0° | 109.5° |
| C29 | C32 | H20 | 108.5° | 109.5° |
| C32 | C34 | N36 | 117.5° | 120.0° |
| C32 | C34 | O35 | 119.2° | 120.0° |
| C34 | C32 | H20 | 108.6° | 109.4° |
| C31 | C29 | C30 | 109.1° | 109.5° |
| C29 | C31 | H17 | 109.5° | 109.5° |
| C29 | C31 | H18 | 109.5° | 109.5° |
| C29 | C31 | H19 | 109.5° | 109.4° |
| C29 | C30 | H14 | 109.5° | 109.5° |
| C29 | C30 | H15 | 109.5° | 109.5° |
| C29 | C30 | H16 | 109.5° | 109.5° |
| N36 | C34 | O35 | 123.2° | 120.0° |
| C34 | N36 | C37 | 122.8° | 120.0° |
| C34 | N36 | H22 | 118.6° | 120.0° |
| N36 | C37 | C38 | 112.5° | 109.5° |
| C37 | N36 | H22 | 118.6° | 120.0° |
| N36 | C37 | H23 | 108.7° | 109.4° |
| N36 | C37 | H24 | 108.7° | 109.5° |
| C37 | C38 | C39 | 110.0° | 109.5° |
| C38 | C37 | H23 | 108.7° | 109.4° |
| C38 | C37 | H24 | 108.7° | 109.5° |
| C37 | C38 | H25 | 109.4° | 109.5° |
| C37 | C38 | H26 | 109.4° | 109.5° |
| C38 | C39 | N41 | 117.7° | 120.0° |
| C38 | C39 | O40 | 119.3° | 120.0° |
| C39 | C38 | H25 | 109.3° | 109.5° |
| C39 | C38 | H26 | 109.3° | 109.4° |
| N41 | C39 | O40 | 122.9° | 120.0° |
| C39 | N41 | C42 | 123.4° | 120.0° |
| C39 | N41 | H27 | 118.3° | 120.0° |
| N41 | C42 | C12 | 119.4° | 109.4° |
| C42 | N41 | H27 | 118.3° | 120.0° |
| N41 | C42 | H28 | 106.9° | 109.5° |
| N41 | C42 | H29 | 106.9° | 109.5° |
| O19 | C11 | S44 | 106.5° | 109.5° |
| O19 | C11 | C10 | 113.2° | 109.5° |
| O19 | C11 | H32 | 111.9° | 109.5° |
| C11 | O19 | H33 | 109.5° | 114.0° |
| O23 | C3 | C10 | 124.5° | 120.0° |
| O23 | C3 | C2 | 123.2° | 120.0° |
| C11 | S44 | C12 | 124.4° | 103.0° |
| S44 | C11 | C10 | 106.0° | 109.5° |
| S44 | C11 | H32 | 107.5° | 109.5° |
| S44 | C12 | C42 | 109.9° | 109.5° |
| S44 | C12 | H30 | 109.4° | 109.5° |
| S44 | C12 | H31 | 109.4° | 109.4° |
| O20 | C9 | C2 | 123.0° | 120.0° |
| O20 | C9 | C8 | 130.1° | 120.0° |
| C9 | O20 | H35 | 109.5° | 113.9° |
| C12 | C42 | H28 | 106.9° | 109.5° |
| C12 | C42 | H29 | 106.9° | 109.4° |
| C42 | C12 | H30 | 109.4° | 109.5° |
| C42 | C12 | H31 | 109.4° | 109.5° |
| O21 | C7 | C8 | 123.8° | 120.1° |
| O21 | C7 | C6 | 122.7° | 120.0° |
| C7 | O21 | H36 | 109.5° | 114.0° |
| C11 | C10 | C3 | 111.9° | 109.5° |
| C11 | C10 | H5 | 108.8° | 109.4° |
| C11 | C10 | H6 | 108.9° | 109.5° |
| C10 | C11 | H32 | 111.3° | 109.4° |
| C10 | C3 | C2 | 112.3° | 120.0° |
| C3 | C10 | H5 | 108.8° | 109.5° |
| C3 | C10 | H6 | 108.8° | 109.5° |
| C3 | C2 | C9 | 122.8° | 120.0° |
| C3 | C2 | H34 | 118.6° | 120.0° |
| C2 | C9 | C8 | 106.9° | 120.0° |
| C9 | C2 | H34 | 118.6° | 120.0° |
| C9 | C8 | C7 | 129.7° | 120.0° |
| C9 | C8 | H4 | 115.1° | 120.0° |
| C8 | C7 | C6 | 113.4° | 120.0° |
| C7 | C8 | H4 | 115.2° | 120.0° |
| C7 | C6 | C5 | 116.7° | 120.0° |
| C7 | C6 | H3 | 121.6° | 120.0° |
| O22 | C5 | C6 | 120.3° | 120.0° |
| O22 | C5 | C4 | 121.9° | 120.0° |
| C5 | O22 | H37 | 109.5° | 113.9° |
| C6 | C5 | C4 | 117.8° | 120.0° |
| C5 | C6 | H3 | 121.6° | 120.0° |
| C5 | C4 | C43 | 104.2° | 109.5° |
| C5 | C4 | H1 | 110.8° | 109.5° |
| C5 | C4 | H2 | 110.7° | 109.4° |
| O24 | C43 | C4 | 117.6° | 120.0° |
| O24 | C43 | C13 | 124.4° | 120.0° |
| C4 | C43 | C13 | 118.0° | 120.0° |
| C43 | C4 | H1 | 110.8° | 109.5° |
| C43 | C4 | H2 | 110.8° | 109.4° |
| C43 | C13 | H7 | 109.5° | 109.5° |
| C43 | C13 | H8 | 109.5° | 109.5° |
| C43 | C13 | H9 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.4° | 109.4° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.4° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.4° |
| H14 | C30 | H15 | 109.4° | 109.4° |
| H14 | C30 | H16 | 109.5° | 109.5° |
| H15 | C30 | H16 | 109.5° | 109.5° |
| H17 | C31 | H18 | 109.5° | 109.5° |
| H17 | C31 | H19 | 109.5° | 109.5° |
| H18 | C31 | H19 | 109.5° | 109.4° |
| H23 | C37 | H24 | 109.4° | 109.5° |
| H25 | C38 | H26 | 109.4° | 109.4° |
| H28 | C42 | H29 | 109.5° | 109.5° |
| H30 | C12 | H31 | 109.5° | 109.4° |
| P24 | O1 | H39 | 109.5° | 114.0° |
| O1 | P24 | H38 | 48.0° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | P24 | O26 | O27 | 121.8° | 90.0° |
| O25 | P24 | O26 | O1 | 119.1° | 90.0° |
| O25 | P24 | O26 | H38 | 171.5° | 180.0° |
| O25 | P24 | O27 | O1 | 128.7° | 90.0° |
| O25 | P24 | O27 | H38 | 128.1° | 180.0° |
| O25 | P24 | O27 | C28 | 54.7° | 90.0° |
| O25 | P24 | O26 | H13 | 180.0° | 180.0° |
| O25 | P24 | O1 | H38 | 131.7° | 180.0° |
| O25 | P24 | O1 | H39 | 180.0° | 90.0° |
| O26 | P24 | O27 | O1 | 116.7° | 180.0° |
| O26 | P24 | O27 | H38 | 117.3° | 90.0° |
| O26 | P24 | O27 | C28 | 169.2° | 0.0° |
| O26 | P24 | O25 | H12 | 180.0° | 180.0° |
| O26 | P24 | O1 | H38 | 110.3° | 90.0° |
| O26 | P24 | O1 | H39 | 62.0° | 0.0° |
| P24 | O27 | C28 | C29 | 131.6° | 180.0° |
| P24 | O27 | C28 | H10 | 11.5° | 60.0° |
| P24 | O27 | C28 | H11 | 108.4° | 59.9° |
| O27 | P24 | O25 | H12 | 70.5° | 59.9° |
| O27 | P24 | O26 | H13 | 58.3° | 90.0° |
| O27 | P24 | O1 | H38 | 0.8° | 90.0° |
| O27 | P24 | O1 | H39 | 47.5° | 180.0° |
| O33 | C32 | C29 | C28 | 64.6° | 56.8° |
| O33 | C32 | C29 | C34 | 122.4° | 120.1° |
| O33 | C32 | C29 | H20 | 116.3° | 120.0° |
| O33 | C32 | C34 | H20 | 121.5° | 120.0° |
| O33 | C32 | C29 | C31 | 173.2° | 63.2° |
| O33 | C32 | C29 | C30 | 51.1° | 176.8° |
| O33 | C32 | C34 | N36 | 7.3° | 168.6° |
| O33 | C32 | C34 | O35 | 175.7° | 11.4° |
| O27 | C28 | C29 | H10 | 120.0° | 120.0° |
| O27 | C28 | C29 | H11 | 120.0° | 120.1° |
| O27 | C28 | C29 | C32 | 145.3° | 180.0° |
| O27 | C28 | C29 | C31 | 24.2° | 60.0° |
| O27 | C28 | C29 | C30 | 97.1° | 60.1° |
| O27 | C28 | H10 | H11 | 119.9° | 120.0° |
| C28 | O27 | P24 | O1 | 74.1° | 180.0° |
| C28 | O27 | P24 | H38 | 73.4° | 90.0° |
| C28 | C29 | C32 | C31 | 122.2° | 120.0° |
| C28 | C29 | C32 | C30 | 115.6° | 120.0° |
| C28 | C29 | C32 | C34 | 173.1° | 63.3° |
| C28 | C29 | C31 | C30 | 120.8° | 120.0° |
| C29 | C28 | H10 | H11 | 119.9° | 120.0° |
| C28 | C29 | C30 | H14 | 180.0° | 66.4° |
| C28 | C29 | C30 | H15 | 60.0° | 173.6° |
| C28 | C29 | C30 | H16 | 60.0° | 53.6° |
| C28 | C29 | C31 | H17 | 180.0° | 64.8° |
| C28 | C29 | C31 | H18 | 60.0° | 175.1° |
| C28 | C29 | C31 | H19 | 60.0° | 55.2° |
| C28 | C29 | C32 | H20 | 51.8° | 176.8° |
| C29 | C32 | C34 | H20 | 121.2° | 120.0° |
| C32 | C29 | C31 | C30 | 123.2° | 120.0° |
| C29 | C32 | C34 | N36 | 124.6° | 71.4° |
| C29 | C32 | C34 | O35 | 58.4° | 108.7° |
| C32 | C29 | C28 | H10 | 25.3° | 60.0° |
| C32 | C29 | C28 | H11 | 94.7° | 60.0° |
| C32 | C29 | C30 | H14 | 67.7° | 173.6° |
| C32 | C29 | C30 | H15 | 52.3° | 53.7° |
| C32 | C29 | C30 | H16 | 172.3° | 66.3° |
| C32 | C29 | C31 | H17 | 64.1° | 55.1° |
| C32 | C29 | C31 | H18 | 175.9° | 64.9° |
| C32 | C29 | C31 | H19 | 55.9° | 175.2° |
| C29 | C32 | O33 | H21 | 180.0° | 60.0° |
| C34 | C32 | C29 | C31 | 50.9° | 176.7° |
| C34 | C32 | C29 | C30 | 71.3° | 56.7° |
| C32 | C34 | N36 | O35 | 176.8° | 179.9° |
| C32 | C34 | N36 | C37 | 178.7° | 174.8° |
| C34 | C32 | O33 | H21 | 56.4° | 60.0° |
| C32 | C34 | N36 | H22 | 1.3° | 5.2° |
| C31 | C29 | C28 | H10 | 95.8° | 60.0° |
| C31 | C29 | C28 | H11 | 144.2° | 180.0° |
| C31 | C29 | C30 | H14 | 56.0° | 53.6° |
| C31 | C29 | C30 | H15 | 176.0° | 66.3° |
| C31 | C29 | C30 | H16 | 64.0° | 173.7° |
| C29 | C31 | H17 | H18 | 120.0° | 120.0° |
| C29 | C31 | H17 | H19 | 120.0° | 120.0° |
| C29 | C31 | H18 | H19 | 120.0° | 119.9° |
| C31 | C29 | C32 | H20 | 70.4° | 56.8° |
| C30 | C29 | C28 | H10 | 142.9° | 180.0° |
| C30 | C29 | C28 | H11 | 22.9° | 60.0° |
| C29 | C30 | H14 | H15 | 120.0° | 120.0° |
| C29 | C30 | H14 | H16 | 120.0° | 120.1° |
| C29 | C30 | H15 | H16 | 120.0° | 120.0° |
| C30 | C29 | C31 | H17 | 59.2° | 175.1° |
| C30 | C29 | C31 | H18 | 60.8° | 55.1° |
| C30 | C29 | C31 | H19 | 179.2° | 64.8° |
| C30 | C29 | C32 | H20 | 167.4° | 63.2° |
| C34 | N36 | C37 | H22 | 180.0° | 179.9° |
| C34 | N36 | C37 | C38 | 143.6° | 180.0° |
| N36 | C34 | C32 | H20 | 114.1° | 48.6° |
| C34 | N36 | C37 | H23 | 23.1° | 60.1° |
| C34 | N36 | C37 | H24 | 95.9° | 59.9° |
| O35 | C34 | N36 | C37 | 1.9° | 5.3° |
| O35 | C34 | C32 | H20 | 62.8° | 131.4° |
| O35 | C34 | N36 | H22 | 178.1° | 174.8° |
| N36 | C37 | C38 | H23 | 120.5° | 119.9° |
| N36 | C37 | C38 | H24 | 120.5° | 120.0° |
| N36 | C37 | C38 | C39 | 172.8° | 180.0° |
| N36 | C37 | H23 | H24 | 118.6° | 120.0° |
| N36 | C37 | C38 | H25 | 52.7° | 60.0° |
| N36 | C37 | C38 | H26 | 67.1° | 60.0° |
| C37 | C38 | C39 | H25 | 120.1° | 120.0° |
| C37 | C38 | C39 | H26 | 120.1° | 120.0° |
| C37 | C38 | C39 | N41 | 154.0° | 180.0° |
| C37 | C38 | C39 | O40 | 26.0° | 0.0° |
| C38 | C37 | N36 | H22 | 36.4° | 0.0° |
| C38 | C37 | H23 | H24 | 118.6° | 120.0° |
| C37 | C38 | H25 | H26 | 119.8° | 120.0° |
| C38 | C39 | N41 | O40 | 180.0° | 180.0° |
| C38 | C39 | N41 | C42 | 129.4° | 180.0° |
| C39 | C38 | C37 | H23 | 66.8° | 60.0° |
| C39 | C38 | C37 | H24 | 52.3° | 60.0° |
| C39 | C38 | H25 | H26 | 119.7° | 120.0° |
| C38 | C39 | N41 | H27 | 50.6° | 0.0° |
| C39 | N41 | C42 | H27 | 180.0° | 180.0° |
| C39 | N41 | C42 | C12 | 89.2° | 180.0° |
| N41 | C39 | C38 | H25 | 33.9° | 60.0° |
| N41 | C39 | C38 | H26 | 85.9° | 60.0° |
| C39 | N41 | C42 | H28 | 32.2° | 60.0° |
| C39 | N41 | C42 | H29 | 149.4° | 60.1° |
| O40 | C39 | N41 | C42 | 50.6° | 0.0° |
| O40 | C39 | C38 | H25 | 146.1° | 120.0° |
| O40 | C39 | C38 | H26 | 94.1° | 120.0° |
| O40 | C39 | N41 | H27 | 129.4° | 180.0° |
| N41 | C42 | C12 | S44 | 59.3° | 180.0° |
| N41 | C42 | C12 | H28 | 121.4° | 120.0° |
| N41 | C42 | C12 | H29 | 121.4° | 120.0° |
| N41 | C42 | H28 | H29 | 115.5° | 120.1° |
| N41 | C42 | C12 | H30 | 179.4° | 60.0° |
| N41 | C42 | C12 | H31 | 60.7° | 60.0° |
| O19 | C11 | S44 | C10 | 120.8° | 120.0° |
| O19 | C11 | S44 | H32 | 120.1° | 120.0° |
| O19 | C11 | S44 | C12 | 142.6° | 70.0° |
| O19 | C11 | C10 | H32 | 127.0° | 120.0° |
| O19 | C11 | C10 | C3 | 11.9° | 65.0° |
| O19 | C11 | C10 | H5 | 108.5° | 55.0° |
| O19 | C11 | C10 | H6 | 132.2° | 175.0° |
| O23 | C3 | C10 | C11 | 3.1° | 0.0° |
| O23 | C3 | C10 | C2 | 177.5° | 180.0° |
| O23 | C3 | C2 | C9 | 4.1° | 0.0° |
| O23 | C3 | C10 | H5 | 117.2° | 120.0° |
| O23 | C3 | C10 | H6 | 123.5° | 120.0° |
| O23 | C3 | C2 | H34 | 175.8° | 179.9° |
| C11 | S44 | C12 | C42 | 121.7° | 180.0° |
| S44 | C11 | C10 | H32 | 116.6° | 120.0° |
| S44 | C11 | C10 | C3 | 128.2° | 175.0° |
| S44 | C11 | C10 | H5 | 7.9° | 65.0° |
| S44 | C11 | C10 | H6 | 111.4° | 54.9° |
| C11 | S44 | C12 | H30 | 1.6° | 60.0° |
| C11 | S44 | C12 | H31 | 118.3° | 60.0° |
| S44 | C11 | O19 | H33 | 127.4° | 60.0° |
| S44 | C12 | C42 | H30 | 120.0° | 120.0° |
| S44 | C12 | C42 | H31 | 120.1° | 120.0° |
| C12 | S44 | C11 | C10 | 96.6° | 170.0° |
| S44 | C12 | C42 | H28 | 179.2° | 60.0° |
| S44 | C12 | C42 | H29 | 62.1° | 60.0° |
| S44 | C12 | H30 | H31 | 119.8° | 120.0° |
| C12 | S44 | C11 | H32 | 22.5° | 50.0° |
| O20 | C9 | C2 | C3 | 1.2° | 0.0° |
| O20 | C9 | C2 | C8 | 179.7° | 180.0° |
| O20 | C9 | C8 | C7 | 31.1° | 4.6° |
| O20 | C9 | C8 | H4 | 148.9° | 175.4° |
| O20 | C9 | C2 | H34 | 178.8° | 179.9° |
| C12 | C42 | N41 | H27 | 90.8° | 0.0° |
| C12 | C42 | H28 | H29 | 115.5° | 120.0° |
| C42 | C12 | H30 | H31 | 119.8° | 120.0° |
| O21 | C7 | C8 | C9 | 4.1° | 10.0° |
| O21 | C7 | C8 | C6 | 178.3° | 179.9° |
| O21 | C7 | C6 | C5 | 19.3° | 17.7° |
| O21 | C7 | C6 | H3 | 160.7° | 162.4° |
| O21 | C7 | C8 | H4 | 175.9° | 170.0° |
| C11 | C10 | C3 | H5 | 120.4° | 120.0° |
| C11 | C10 | C3 | H6 | 120.4° | 120.0° |
| C11 | C10 | C3 | C2 | 179.4° | 180.0° |
| C11 | C10 | H5 | H6 | 118.9° | 120.0° |
| C10 | C11 | O19 | H33 | 11.3° | 60.0° |
| C10 | C3 | C2 | C9 | 178.4° | 180.0° |
| C3 | C10 | H5 | H6 | 118.8° | 120.0° |
| C3 | C10 | C11 | H32 | 115.2° | 55.0° |
| C10 | C3 | C2 | H34 | 1.7° | 0.0° |
| C3 | C2 | C9 | H34 | 180.0° | 179.9° |
| C3 | C2 | C9 | C8 | 179.1° | 180.0° |
| C2 | C3 | C10 | H5 | 60.2° | 60.0° |
| C2 | C3 | C10 | H6 | 59.0° | 60.0° |
| C2 | C9 | C8 | C7 | 149.2° | 175.4° |
| C2 | C9 | C8 | H4 | 30.7° | 4.6° |
| C2 | C9 | O20 | H35 | 2.7° | 173.7° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 177.6° | 170.1° |
| C8 | C9 | C2 | H34 | 0.8° | 0.0° |
| C8 | C9 | O20 | H35 | 177.7° | 6.3° |
| C8 | C7 | C6 | C5 | 159.1° | 162.4° |
| C8 | C7 | C6 | H3 | 20.9° | 17.5° |
| C8 | C7 | O21 | H36 | 180.0° | 174.2° |
| C7 | C6 | C5 | O22 | 0.6° | 19.3° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 179.3° | 160.6° |
| C6 | C7 | C8 | H4 | 2.4° | 9.9° |
| C6 | C7 | O21 | H36 | 1.8° | 5.8° |
| O22 | C5 | C6 | C4 | 180.0° | 179.9° |
| O22 | C5 | C4 | C43 | 27.2° | 85.0° |
| O22 | C5 | C4 | H1 | 92.0° | 35.1° |
| O22 | C5 | C4 | H2 | 146.3° | 155.0° |
| O22 | C5 | C6 | H3 | 179.4° | 160.6° |
| C6 | C5 | C4 | C43 | 152.9° | 94.9° |
| C6 | C5 | C4 | H1 | 88.0° | 145.0° |
| C6 | C5 | C4 | H2 | 33.7° | 25.0° |
| C6 | C5 | O22 | H37 | 179.9° | 7.3° |
| C5 | C4 | C43 | O24 | 76.4° | 0.1° |
| C5 | C4 | C43 | H1 | 119.2° | 120.0° |
| C5 | C4 | C43 | H2 | 119.1° | 119.9° |
| C5 | C4 | C43 | C13 | 102.0° | 180.0° |
| C5 | C4 | H1 | H2 | 122.4° | 119.9° |
| C4 | C5 | C6 | H3 | 0.7° | 19.5° |
| C4 | C5 | O22 | H37 | 0.2° | 172.8° |
| O24 | C43 | C4 | C13 | 178.4° | 179.9° |
| O24 | C43 | C4 | H1 | 42.8° | 120.0° |
| O24 | C43 | C4 | H2 | 164.4° | 120.0° |
| O24 | C43 | C13 | H7 | 0.0° | 120.0° |
| O24 | C43 | C13 | H8 | 120.0° | 0.1° |
| O24 | C43 | C13 | H9 | 120.0° | 120.0° |
| C43 | C4 | H1 | H2 | 122.4° | 120.0° |
| C4 | C43 | C13 | H7 | 178.3° | 60.1° |
| C4 | C43 | C13 | H8 | 61.7° | 180.0° |
| C4 | C43 | C13 | H9 | 58.3° | 59.9° |
| C13 | C43 | C4 | H1 | 138.8° | 59.9° |
| C13 | C43 | C4 | H2 | 17.1° | 60.1° |
| C43 | C13 | H7 | H8 | 120.0° | 120.0° |
| C43 | C13 | H7 | H9 | 120.0° | 120.0° |
| C43 | C13 | H8 | H9 | 120.0° | 120.1° |
| H5 | C10 | C11 | H32 | 124.5° | 175.0° |
| H6 | C10 | C11 | H32 | 5.2° | 65.1° |
| H7 | C13 | H8 | H9 | 120.0° | 120.0° |
| H12 | O25 | P24 | O1 | 60.2° | 60.0° |
| H12 | O25 | P24 | H38 | 10.4° | 65.2° |
| H13 | O26 | P24 | O1 | 60.9° | 90.0° |
| H13 | O26 | P24 | H38 | 8.5° | 0.0° |
| H14 | C30 | H15 | H16 | 120.0° | 120.0° |
| H17 | C31 | H18 | H19 | 120.0° | 120.1° |
| H20 | C32 | O33 | H21 | 64.5° | 180.0° |
| H22 | N36 | C37 | H23 | 156.9° | 120.0° |
| H22 | N36 | C37 | H24 | 84.1° | 120.0° |
| H23 | C37 | C38 | H25 | 173.2° | 179.9° |
| H23 | C37 | C38 | H26 | 53.3° | 60.0° |
| H24 | C37 | C38 | H25 | 67.8° | 60.0° |
| H24 | C37 | C38 | H26 | 172.4° | 180.0° |
| H27 | N41 | C42 | H28 | 147.7° | 120.0° |
| H27 | N41 | C42 | H29 | 30.6° | 119.9° |
| H28 | C42 | C12 | H30 | 59.2° | 180.0° |
| H28 | C42 | C12 | H31 | 60.7° | 60.0° |
| H29 | C42 | C12 | H30 | 58.0° | 60.0° |
| H29 | C42 | C12 | H31 | 177.9° | 180.0° |
| H32 | C11 | O19 | H33 | 115.4° | 180.0° |
| H39 | O1 | P24 | H38 | 48.3° | 90.0° |
