MRJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| O14 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C43 | sing | 1.46Å | 1.46Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | N41 | sing | 1.47Å | 1.45Å | |
| N41 | C39 | sing | 1.35Å | 1.32Å | |
| C39 | C38 | sing | 1.51Å | 1.51Å | |
| C39 | O40 | doub | 1.21Å | 1.22Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C37 | N36 | sing | 1.46Å | 1.45Å | |
| N36 | C34 | sing | 1.35Å | 1.33Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | C32 | sing | 1.53Å | 1.53Å | |
| C28 | O27 | sing | 1.43Å | 1.42Å | |
| C34 | C32 | sing | 1.51Å | 1.50Å | |
| C34 | O35 | doub | 1.21Å | 1.23Å | |
| O33 | C32 | sing | 1.43Å | 1.44Å | |
| O27 | P24 | sing | 1.61Å | 1.60Å | |
| O23 | P24 | sing | 1.61Å | 1.51Å | |
| P24 | O25 | sing | 1.61Å | 1.51Å | |
| O23 | H1 | sing | 0.97Å | 0.95Å | |
| O25 | H2 | sing | 0.97Å | 0.95Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| O33 | H12 | sing | 0.97Å | 0.95Å | |
| N36 | H13 | sing | 0.97Å | 1.00Å | |
| C37 | H14 | sing | 1.09Å | 1.10Å | |
| C37 | H15 | sing | 1.09Å | 1.10Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.09Å | 1.10Å | |
| N41 | H18 | sing | 0.97Å | 1.00Å | |
| C42 | H19 | sing | 1.09Å | 1.10Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.09Å | 1.10Å | |
| C43 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.09Å | 1.10Å | |
| C4 | H35 | sing | 1.09Å | 1.10Å | |
| C5 | H36 | sing | 1.09Å | 1.10Å | |
| C5 | H37 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C6 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.09Å | 1.10Å | |
| C7 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| N1 | H46 | sing | 0.97Å | 1.00Å | |
| P24 | O1 | doub | 1.48Å | 1.62Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 112.1° | 109.5° |
| C11 | C10 | C9 | 111.6° | 109.5° |
| C11 | C10 | H23 | 108.9° | 109.5° |
| C11 | C10 | H24 | 108.9° | 109.5° |
| C10 | C11 | H25 | 108.8° | 109.5° |
| C10 | C11 | H26 | 108.8° | 109.5° |
| C11 | C12 | C13 | 111.3° | 109.5° |
| C12 | C11 | H25 | 108.8° | 109.5° |
| C12 | C11 | H26 | 108.8° | 109.5° |
| C11 | C12 | H27 | 109.0° | 109.5° |
| C11 | C12 | H28 | 109.0° | 109.5° |
| C10 | C9 | C8 | 110.7° | 109.5° |
| C9 | C10 | H23 | 108.9° | 109.4° |
| C9 | C10 | H24 | 108.9° | 109.5° |
| C10 | C9 | H44 | 109.1° | 109.5° |
| C10 | C9 | H45 | 109.1° | 109.5° |
| C13 | C12 | H27 | 109.0° | 109.5° |
| C13 | C12 | H28 | 109.0° | 109.5° |
| C12 | C13 | H29 | 109.5° | 109.5° |
| C12 | C13 | H30 | 109.5° | 109.5° |
| C12 | C13 | H31 | 109.5° | 109.5° |
| C9 | C8 | C7 | 113.2° | 109.5° |
| C9 | C8 | H42 | 108.5° | 109.5° |
| C9 | C8 | H43 | 108.5° | 109.5° |
| C8 | C9 | H44 | 109.2° | 109.5° |
| C8 | C9 | H45 | 109.2° | 109.5° |
| C8 | C7 | C6 | 109.2° | 109.5° |
| C8 | C7 | H40 | 109.5° | 109.5° |
| C8 | C7 | H41 | 109.5° | 109.5° |
| C7 | C8 | H42 | 108.6° | 109.5° |
| C7 | C8 | H43 | 108.6° | 109.4° |
| C7 | C6 | C5 | 111.2° | 109.5° |
| C7 | C6 | H38 | 109.0° | 109.5° |
| C7 | C6 | H39 | 109.1° | 109.4° |
| C6 | C7 | H40 | 109.6° | 109.5° |
| C6 | C7 | H41 | 109.6° | 109.4° |
| C6 | C5 | C4 | 111.3° | 109.4° |
| C6 | C5 | H36 | 109.0° | 109.5° |
| C6 | C5 | H37 | 109.0° | 109.4° |
| C5 | C6 | H38 | 109.0° | 109.5° |
| C5 | C6 | H39 | 109.0° | 109.5° |
| C5 | C4 | C3 | 114.6° | 109.5° |
| C5 | C4 | H34 | 108.2° | 109.5° |
| C5 | C4 | H35 | 108.2° | 109.5° |
| C4 | C5 | H36 | 109.0° | 109.5° |
| C4 | C5 | H37 | 109.0° | 109.5° |
| C4 | C3 | C2 | 106.6° | 109.5° |
| C4 | C3 | H32 | 110.2° | 109.5° |
| C4 | C3 | H33 | 110.2° | 109.4° |
| C3 | C4 | H34 | 108.2° | 109.5° |
| C3 | C4 | H35 | 108.2° | 109.5° |
| C3 | C2 | O14 | 119.5° | 120.0° |
| C3 | C2 | N1 | 118.7° | 120.0° |
| C2 | C3 | H32 | 110.2° | 109.5° |
| C2 | C3 | H33 | 110.2° | 109.5° |
| O14 | C2 | N1 | 120.3° | 120.0° |
| C2 | N1 | C43 | 118.2° | 120.0° |
| C2 | N1 | H46 | 120.8° | 120.0° |
| N1 | C43 | C42 | 112.8° | 109.5° |
| N1 | C43 | H21 | 108.7° | 109.5° |
| N1 | C43 | H22 | 108.6° | 109.5° |
| C43 | N1 | H46 | 120.9° | 120.0° |
| C43 | C42 | N41 | 108.7° | 109.5° |
| C43 | C42 | H19 | 109.7° | 109.5° |
| C43 | C42 | H20 | 109.7° | 109.5° |
| C42 | C43 | H21 | 108.6° | 109.5° |
| C42 | C43 | H22 | 108.6° | 109.4° |
| C42 | N41 | C39 | 123.5° | 120.0° |
| C42 | N41 | H18 | 118.3° | 120.0° |
| N41 | C42 | H19 | 109.6° | 109.5° |
| N41 | C42 | H20 | 109.7° | 109.5° |
| N41 | C39 | C38 | 114.4° | 120.0° |
| N41 | C39 | O40 | 123.8° | 120.0° |
| C39 | N41 | H18 | 118.3° | 120.0° |
| C38 | C39 | O40 | 121.0° | 120.0° |
| C39 | C38 | C37 | 105.1° | 109.5° |
| C39 | C38 | H16 | 110.6° | 109.5° |
| C39 | C38 | H17 | 110.5° | 109.5° |
| C38 | C37 | N36 | 114.5° | 109.5° |
| C38 | C37 | H14 | 108.2° | 109.5° |
| C38 | C37 | H15 | 108.2° | 109.4° |
| C37 | C38 | H16 | 110.6° | 109.5° |
| C37 | C38 | H17 | 110.6° | 109.5° |
| C30 | C29 | C31 | 111.2° | 109.5° |
| C30 | C29 | C28 | 108.7° | 109.5° |
| C30 | C29 | C32 | 109.0° | 109.5° |
| C29 | C30 | H5 | 109.5° | 109.5° |
| C29 | C30 | H6 | 109.4° | 109.5° |
| C29 | C30 | H7 | 109.5° | 109.5° |
| C37 | N36 | C34 | 124.0° | 120.0° |
| C37 | N36 | H13 | 118.0° | 120.0° |
| N36 | C37 | H14 | 108.2° | 109.5° |
| N36 | C37 | H15 | 108.2° | 109.5° |
| N36 | C34 | C32 | 114.5° | 120.0° |
| N36 | C34 | O35 | 123.6° | 120.0° |
| C34 | N36 | H13 | 118.0° | 120.0° |
| C31 | C29 | C28 | 107.5° | 109.5° |
| C31 | C29 | C32 | 110.4° | 109.4° |
| C29 | C31 | H8 | 109.5° | 109.5° |
| C29 | C31 | H9 | 109.5° | 109.4° |
| C29 | C31 | H10 | 109.5° | 109.4° |
| C28 | C29 | C32 | 110.2° | 109.4° |
| C29 | C28 | O27 | 109.0° | 109.4° |
| C29 | C28 | H3 | 109.6° | 109.5° |
| C29 | C28 | H4 | 109.6° | 109.5° |
| C29 | C32 | C34 | 113.8° | 109.5° |
| C29 | C32 | O33 | 109.9° | 109.5° |
| C29 | C32 | H11 | 108.4° | 109.5° |
| C28 | O27 | P24 | 120.2° | 123.0° |
| O27 | C28 | H3 | 109.6° | 109.5° |
| O27 | C28 | H4 | 109.6° | 109.4° |
| C32 | C34 | O35 | 121.6° | 120.0° |
| C34 | C32 | O33 | 106.3° | 109.5° |
| C34 | C32 | H11 | 108.8° | 109.4° |
| O33 | C32 | H11 | 109.6° | 109.4° |
| C32 | O33 | H12 | 109.5° | 113.9° |
| O27 | P24 | O23 | 111.2° | 109.5° |
| O27 | P24 | O25 | 109.5° | 109.5° |
| O27 | P24 | O1 | 103.0° | 109.4° |
| O23 | P24 | O25 | 112.8° | 109.5° |
| P24 | O23 | H1 | 109.5° | 114.0° |
| O23 | P24 | O1 | 109.9° | 109.5° |
| P24 | O25 | H2 | 109.5° | 114.0° |
| O25 | P24 | O1 | 110.1° | 109.5° |
| H3 | C28 | H4 | 109.4° | 109.5° |
| H5 | C30 | H6 | 109.5° | 109.5° |
| H5 | C30 | H7 | 109.4° | 109.4° |
| H6 | C30 | H7 | 109.5° | 109.4° |
| H8 | C31 | H9 | 109.4° | 109.5° |
| H8 | C31 | H10 | 109.5° | 109.5° |
| H9 | C31 | H10 | 109.5° | 109.5° |
| H14 | C37 | H15 | 109.5° | 109.5° |
| H16 | C38 | H17 | 109.5° | 109.5° |
| H19 | C42 | H20 | 109.5° | 109.4° |
| H21 | C43 | H22 | 109.5° | 109.5° |
| H23 | C10 | H24 | 109.5° | 109.5° |
| H25 | C11 | H26 | 109.4° | 109.5° |
| H27 | C12 | H28 | 109.5° | 109.5° |
| H29 | C13 | H30 | 109.5° | 109.5° |
| H29 | C13 | H31 | 109.5° | 109.4° |
| H30 | C13 | H31 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| H34 | C4 | H35 | 109.5° | 109.4° |
| H36 | C5 | H37 | 109.5° | 109.5° |
| H38 | C6 | H39 | 109.5° | 109.5° |
| H40 | C7 | H41 | 109.5° | 109.5° |
| H42 | C8 | H43 | 109.5° | 109.5° |
| H44 | C9 | H45 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H25 | 120.4° | 120.0° |
| C10 | C11 | C12 | H26 | 120.4° | 120.0° |
| C11 | C10 | C9 | H23 | 120.3° | 120.0° |
| C11 | C10 | C9 | H24 | 120.3° | 120.0° |
| C10 | C11 | C12 | C13 | 98.4° | 180.0° |
| C11 | C10 | C9 | C8 | 179.6° | 180.0° |
| C11 | C10 | H23 | H24 | 119.0° | 120.0° |
| C10 | C11 | H25 | H26 | 118.8° | 120.0° |
| C10 | C11 | C12 | H27 | 21.9° | 60.0° |
| C10 | C11 | C12 | H28 | 141.3° | 60.0° |
| C11 | C10 | C9 | H44 | 60.2° | 60.0° |
| C11 | C10 | C9 | H45 | 59.4° | 60.0° |
| C12 | C11 | C10 | C9 | 83.6° | 180.0° |
| C11 | C12 | C13 | H27 | 120.3° | 120.0° |
| C11 | C12 | C13 | H28 | 120.3° | 120.0° |
| C12 | C11 | C10 | H23 | 36.7° | 60.0° |
| C12 | C11 | C10 | H24 | 156.0° | 60.0° |
| C12 | C11 | H25 | H26 | 118.8° | 120.0° |
| C11 | C12 | H27 | H28 | 119.1° | 120.0° |
| C11 | C12 | C13 | H29 | 180.0° | 59.9° |
| C11 | C12 | C13 | H30 | 60.0° | 180.0° |
| C11 | C12 | C13 | H31 | 60.0° | 60.0° |
| C10 | C9 | C8 | H44 | 120.2° | 120.0° |
| C10 | C9 | C8 | H45 | 120.2° | 120.0° |
| C10 | C9 | C8 | C7 | 176.1° | 180.0° |
| C9 | C10 | H23 | H24 | 119.0° | 120.0° |
| C9 | C10 | C11 | H25 | 36.8° | 60.0° |
| C9 | C10 | C11 | H26 | 156.0° | 60.0° |
| C10 | C9 | C8 | H42 | 55.6° | 60.0° |
| C10 | C9 | C8 | H43 | 63.3° | 60.1° |
| C10 | C9 | H44 | H45 | 119.4° | 120.0° |
| C13 | C12 | C11 | H25 | 141.2° | 60.0° |
| C13 | C12 | C11 | H26 | 22.0° | 60.0° |
| C13 | C12 | H27 | H28 | 119.2° | 120.0° |
| C12 | C13 | H29 | H30 | 120.0° | 120.0° |
| C12 | C13 | H29 | H31 | 120.0° | 120.0° |
| C12 | C13 | H30 | H31 | 120.0° | 120.0° |
| C9 | C8 | C7 | H42 | 120.5° | 120.0° |
| C9 | C8 | C7 | H43 | 120.6° | 120.0° |
| C9 | C8 | C7 | C6 | 141.8° | 180.0° |
| C8 | C9 | C10 | H23 | 59.2° | 60.0° |
| C8 | C9 | C10 | H24 | 60.1° | 60.0° |
| C9 | C8 | C7 | H40 | 98.2° | 60.0° |
| C9 | C8 | C7 | H41 | 21.8° | 60.0° |
| C9 | C8 | H42 | H43 | 118.3° | 120.0° |
| C8 | C9 | H44 | H45 | 119.5° | 120.0° |
| C8 | C7 | C6 | H40 | 119.9° | 120.1° |
| C8 | C7 | C6 | H41 | 120.0° | 120.0° |
| C8 | C7 | C6 | C5 | 151.4° | 180.0° |
| C8 | C7 | C6 | H38 | 31.2° | 60.0° |
| C8 | C7 | C6 | H39 | 88.3° | 60.1° |
| C8 | C7 | H40 | H41 | 120.1° | 120.0° |
| C7 | C8 | H42 | H43 | 118.3° | 120.0° |
| C7 | C8 | C9 | H44 | 63.7° | 60.0° |
| C7 | C8 | C9 | H45 | 56.0° | 60.0° |
| C7 | C6 | C5 | H38 | 120.3° | 120.0° |
| C7 | C6 | C5 | H39 | 120.3° | 119.9° |
| C7 | C6 | C5 | C4 | 163.9° | 180.0° |
| C7 | C6 | C5 | H36 | 75.8° | 60.0° |
| C7 | C6 | C5 | H37 | 43.7° | 60.1° |
| C7 | C6 | H38 | H39 | 119.2° | 120.0° |
| C6 | C7 | H40 | H41 | 120.1° | 119.9° |
| C6 | C7 | C8 | H42 | 21.3° | 60.0° |
| C6 | C7 | C8 | H43 | 97.6° | 60.1° |
| C6 | C5 | C4 | H36 | 120.3° | 120.0° |
| C6 | C5 | C4 | H37 | 120.3° | 119.9° |
| C6 | C5 | C4 | C3 | 177.2° | 180.0° |
| C6 | C5 | C4 | H34 | 62.0° | 60.0° |
| C6 | C5 | C4 | H35 | 56.5° | 60.0° |
| C6 | C5 | H36 | H37 | 119.1° | 120.0° |
| C5 | C6 | H38 | H39 | 119.2° | 120.0° |
| C5 | C6 | C7 | H40 | 88.6° | 59.9° |
| C5 | C6 | C7 | H41 | 31.5° | 60.0° |
| C5 | C4 | C3 | H34 | 120.7° | 120.0° |
| C5 | C4 | C3 | H35 | 120.8° | 120.0° |
| C5 | C4 | C3 | C2 | 173.2° | 180.0° |
| C5 | C4 | C3 | H32 | 53.6° | 60.0° |
| C5 | C4 | C3 | H33 | 67.3° | 60.0° |
| C5 | C4 | H34 | H35 | 117.7° | 120.0° |
| C4 | C5 | H36 | H37 | 119.1° | 120.0° |
| C4 | C5 | C6 | H38 | 43.7° | 60.0° |
| C4 | C5 | C6 | H39 | 75.8° | 60.1° |
| C4 | C3 | C2 | H32 | 119.5° | 120.0° |
| C4 | C3 | C2 | H33 | 119.6° | 119.9° |
| C4 | C3 | C2 | O14 | 34.1° | 0.0° |
| C4 | C3 | C2 | N1 | 160.1° | 180.0° |
| C4 | C3 | H32 | H33 | 121.4° | 119.9° |
| C3 | C4 | H34 | H35 | 117.7° | 120.0° |
| C3 | C4 | C5 | H36 | 57.0° | 60.0° |
| C3 | C4 | C5 | H37 | 62.5° | 60.1° |
| C3 | C2 | O14 | N1 | 165.6° | 179.9° |
| C3 | C2 | N1 | C43 | 170.5° | 180.0° |
| C2 | C3 | H32 | H33 | 121.3° | 120.0° |
| C2 | C3 | C4 | H34 | 66.1° | 59.9° |
| C2 | C3 | C4 | H35 | 52.4° | 60.0° |
| C3 | C2 | N1 | H46 | 9.5° | 0.1° |
| O14 | C2 | N1 | C43 | 4.8° | 0.1° |
| O14 | C2 | C3 | H32 | 85.4° | 120.0° |
| O14 | C2 | C3 | H33 | 153.7° | 120.0° |
| O14 | C2 | N1 | H46 | 175.2° | 180.0° |
| C2 | N1 | C43 | H46 | 180.0° | 179.9° |
| C2 | N1 | C43 | C42 | 174.4° | 180.0° |
| C2 | N1 | C43 | H21 | 65.1° | 59.9° |
| C2 | N1 | C43 | H22 | 53.9° | 60.1° |
| N1 | C2 | C3 | H32 | 80.4° | 59.9° |
| N1 | C2 | C3 | H33 | 40.5° | 60.1° |
| N1 | C43 | C42 | H21 | 120.5° | 120.1° |
| N1 | C43 | C42 | H22 | 120.5° | 120.0° |
| N1 | C43 | C42 | N41 | 77.7° | 180.0° |
| N1 | C43 | C42 | H19 | 162.4° | 59.9° |
| N1 | C43 | C42 | H20 | 42.1° | 60.0° |
| N1 | C43 | H21 | H22 | 118.5° | 120.0° |
| C43 | C42 | N41 | H19 | 119.9° | 120.0° |
| C43 | C42 | N41 | H20 | 119.9° | 120.0° |
| C43 | C42 | N41 | C39 | 164.8° | 180.0° |
| C43 | C42 | N41 | H18 | 15.2° | 0.0° |
| C43 | C42 | H19 | H20 | 120.4° | 120.0° |
| C42 | C43 | H21 | H22 | 118.5° | 119.9° |
| C42 | C43 | N1 | H46 | 5.6° | 0.1° |
| C42 | N41 | C39 | H18 | 180.0° | 180.0° |
| C42 | N41 | C39 | C38 | 177.7° | 180.0° |
| C42 | N41 | C39 | O40 | 7.4° | 0.0° |
| N41 | C42 | H19 | H20 | 120.4° | 120.0° |
| N41 | C42 | C43 | H21 | 42.8° | 60.0° |
| N41 | C42 | C43 | H22 | 161.8° | 60.0° |
| N41 | C39 | C38 | O40 | 170.7° | 180.0° |
| N41 | C39 | C38 | C37 | 90.5° | 180.0° |
| N41 | C39 | C38 | H16 | 150.2° | 60.0° |
| N41 | C39 | C38 | H17 | 28.8° | 60.0° |
| C39 | N41 | C42 | H19 | 75.3° | 60.0° |
| C39 | N41 | C42 | H20 | 45.0° | 60.0° |
| C39 | C38 | C37 | H16 | 119.3° | 120.0° |
| C39 | C38 | C37 | H17 | 119.3° | 120.0° |
| C39 | C38 | C37 | N36 | 160.3° | 180.0° |
| C39 | C38 | C37 | H14 | 39.6° | 60.0° |
| C39 | C38 | C37 | H15 | 78.9° | 60.0° |
| C39 | C38 | H16 | H17 | 122.0° | 120.0° |
| C38 | C39 | N41 | H18 | 2.2° | 0.0° |
| O40 | C39 | C38 | C37 | 80.2° | 0.0° |
| O40 | C39 | C38 | H16 | 39.1° | 120.0° |
| O40 | C39 | C38 | H17 | 160.5° | 120.0° |
| O40 | C39 | N41 | H18 | 172.6° | 180.0° |
| C38 | C37 | N36 | H14 | 120.8° | 120.0° |
| C38 | C37 | N36 | H15 | 120.7° | 119.9° |
| C38 | C37 | N36 | C34 | 68.1° | 180.0° |
| C38 | C37 | N36 | H13 | 111.9° | 0.1° |
| C38 | C37 | H14 | H15 | 117.7° | 119.9° |
| C37 | C38 | H16 | H17 | 122.0° | 120.0° |
| C30 | C29 | C31 | C28 | 118.8° | 120.0° |
| C30 | C29 | C31 | C32 | 121.0° | 120.0° |
| C30 | C29 | C28 | C32 | 119.3° | 120.0° |
| C30 | C29 | C28 | O27 | 174.7° | 60.0° |
| C30 | C29 | C32 | C34 | 57.9° | 65.6° |
| C30 | C29 | C32 | O33 | 61.2° | 174.4° |
| C30 | C29 | C28 | H3 | 65.3° | 180.0° |
| C30 | C29 | C28 | H4 | 54.8° | 59.9° |
| C29 | C30 | H5 | H6 | 120.0° | 120.1° |
| C29 | C30 | H5 | H7 | 120.0° | 120.0° |
| C29 | C30 | H6 | H7 | 120.0° | 120.0° |
| C30 | C29 | C31 | H8 | 180.0° | 173.2° |
| C30 | C29 | C31 | H9 | 60.0° | 66.7° |
| C30 | C29 | C31 | H10 | 60.0° | 53.2° |
| C30 | C29 | C32 | H11 | 179.1° | 54.4° |
| C37 | N36 | C34 | H13 | 180.0° | 179.9° |
| C37 | N36 | C34 | C32 | 173.9° | 175.2° |
| C37 | N36 | C34 | O35 | 0.3° | 4.7° |
| N36 | C37 | H14 | H15 | 117.7° | 120.0° |
| N36 | C37 | C38 | H16 | 80.3° | 60.0° |
| N36 | C37 | C38 | H17 | 41.1° | 60.0° |
| N36 | C34 | C32 | C29 | 112.3° | 70.7° |
| N36 | C34 | C32 | O35 | 174.4° | 179.9° |
| N36 | C34 | C32 | O33 | 8.8° | 169.2° |
| N36 | C34 | C32 | H11 | 126.7° | 49.3° |
| C34 | N36 | C37 | H14 | 171.1° | 59.9° |
| C34 | N36 | C37 | H15 | 52.6° | 60.1° |
| C31 | C29 | C28 | C32 | 120.3° | 120.0° |
| C31 | C29 | C28 | O27 | 64.8° | 60.1° |
| C31 | C29 | C32 | C34 | 64.5° | 174.3° |
| C31 | C29 | C32 | O33 | 176.5° | 54.3° |
| C31 | C29 | C28 | H3 | 55.1° | 60.0° |
| C31 | C29 | C28 | H4 | 175.2° | 180.0° |
| C31 | C29 | C30 | H5 | 180.0° | 65.3° |
| C31 | C29 | C30 | H6 | 60.0° | 174.7° |
| C31 | C29 | C30 | H7 | 60.0° | 54.7° |
| C29 | C31 | H8 | H9 | 120.0° | 120.0° |
| C29 | C31 | H8 | H10 | 120.0° | 120.0° |
| C29 | C31 | H9 | H10 | 120.0° | 119.9° |
| C31 | C29 | C32 | H11 | 56.7° | 65.7° |
| C29 | C28 | O27 | H3 | 119.9° | 120.0° |
| C29 | C28 | O27 | H4 | 119.9° | 120.0° |
| C28 | C29 | C32 | C34 | 177.0° | 54.4° |
| C28 | C29 | C32 | O33 | 58.0° | 65.7° |
| C29 | C28 | O27 | P24 | 117.0° | 180.0° |
| C29 | C28 | H3 | H4 | 120.2° | 120.1° |
| C28 | C29 | C30 | H5 | 61.9° | 174.7° |
| C28 | C29 | C30 | H6 | 58.1° | 54.6° |
| C28 | C29 | C30 | H7 | 178.1° | 65.4° |
| C28 | C29 | C31 | H8 | 61.2° | 53.2° |
| C28 | C29 | C31 | H9 | 178.8° | 173.2° |
| C28 | C29 | C31 | H10 | 58.8° | 66.9° |
| C28 | C29 | C32 | H11 | 61.8° | 174.3° |
| C32 | C29 | C28 | O27 | 55.4° | 180.0° |
| C29 | C32 | C34 | O33 | 121.1° | 120.1° |
| C29 | C32 | C34 | H11 | 121.0° | 120.0° |
| C29 | C32 | C34 | O35 | 73.3° | 109.2° |
| C29 | C32 | O33 | H11 | 119.0° | 120.0° |
| C32 | C29 | C28 | H3 | 175.4° | 60.0° |
| C32 | C29 | C28 | H4 | 64.5° | 60.1° |
| C32 | C29 | C30 | H5 | 58.1° | 54.7° |
| C32 | C29 | C30 | H6 | 178.1° | 65.3° |
| C32 | C29 | C30 | H7 | 61.8° | 174.7° |
| C32 | C29 | C31 | H8 | 58.9° | 66.8° |
| C32 | C29 | C31 | H9 | 61.0° | 53.3° |
| C32 | C29 | C31 | H10 | 179.0° | 173.2° |
| C29 | C32 | O33 | H12 | 180.0° | 60.0° |
| C28 | O27 | P24 | O23 | 37.9° | 64.9° |
| C28 | O27 | P24 | O25 | 163.2° | 175.0° |
| O27 | C28 | H3 | H4 | 120.2° | 120.0° |
| C28 | O27 | P24 | O1 | 79.7° | 55.0° |
| C34 | C32 | O33 | H11 | 117.4° | 119.9° |
| C34 | C32 | O33 | H12 | 56.4° | 60.1° |
| C32 | C34 | N36 | H13 | 6.1° | 4.9° |
| O35 | C34 | C32 | O33 | 165.6° | 10.9° |
| O35 | C34 | C32 | H11 | 47.6° | 130.8° |
| O35 | C34 | N36 | H13 | 179.7° | 175.3° |
| O27 | P24 | O23 | O25 | 123.4° | 120.0° |
| O27 | P24 | O23 | O1 | 113.4° | 119.9° |
| O27 | P24 | O25 | O1 | 112.5° | 120.0° |
| O27 | P24 | O23 | H1 | 113.4° | 60.1° |
| O27 | P24 | O25 | H2 | 112.5° | 180.0° |
| P24 | O27 | C28 | H3 | 123.1° | 59.9° |
| P24 | O27 | C28 | H4 | 3.0° | 60.1° |
| O23 | P24 | O25 | O1 | 123.1° | 120.0° |
| O23 | P24 | O25 | H2 | 123.1° | 60.0° |
| O25 | P24 | O23 | H1 | 123.2° | 60.0° |
| H1 | O23 | P24 | O1 | 0.0° | 180.0° |
| H2 | O25 | P24 | O1 | 0.0° | 60.0° |
| H5 | C30 | H6 | H7 | 120.0° | 120.0° |
| H8 | C31 | H9 | H10 | 120.0° | 120.1° |
| H11 | C32 | O33 | H12 | 61.0° | 180.0° |
| H13 | N36 | C37 | H14 | 8.9° | 120.0° |
| H13 | N36 | C37 | H15 | 127.4° | 120.0° |
| H14 | C37 | C38 | H16 | 158.9° | 180.0° |
| H14 | C37 | C38 | H17 | 79.7° | 60.0° |
| H15 | C37 | C38 | H16 | 40.4° | 60.0° |
| H15 | C37 | C38 | H17 | 161.8° | 180.0° |
| H18 | N41 | C42 | H19 | 104.7° | 120.0° |
| H18 | N41 | C42 | H20 | 135.1° | 120.0° |
| H19 | C42 | C43 | H21 | 77.1° | 180.0° |
| H19 | C42 | C43 | H22 | 41.9° | 60.0° |
| H20 | C42 | C43 | H21 | 162.6° | 60.0° |
| H20 | C42 | C43 | H22 | 78.3° | 180.0° |
| H21 | C43 | N1 | H46 | 114.9° | 120.0° |
| H22 | C43 | N1 | H46 | 126.1° | 120.0° |
| H23 | C10 | C11 | H25 | 157.1° | 59.9° |
| H23 | C10 | C11 | H26 | 83.7° | 179.9° |
| H23 | C10 | C9 | H44 | 179.4° | 180.0° |
| H23 | C10 | C9 | H45 | 60.9° | 60.0° |
| H24 | C10 | C11 | H25 | 83.6° | 180.0° |
| H24 | C10 | C11 | H26 | 35.6° | 60.0° |
| H24 | C10 | C9 | H44 | 60.1° | 60.0° |
| H24 | C10 | C9 | H45 | 179.7° | 180.0° |
| H25 | C11 | C12 | H27 | 98.5° | NaN° |
| H25 | C11 | C12 | H28 | 20.9° | 60.0° |
| H26 | C11 | C12 | H27 | 142.3° | 60.0° |
| H26 | C11 | C12 | H28 | 98.3° | 180.0° |
| H27 | C12 | C13 | H29 | 59.7° | 60.0° |
| H27 | C12 | C13 | H30 | 179.8° | 60.0° |
| H27 | C12 | C13 | H31 | 60.2° | 180.0° |
| H28 | C12 | C13 | H29 | 59.7° | 179.9° |
| H28 | C12 | C13 | H30 | 60.3° | 60.0° |
| H28 | C12 | C13 | H31 | 179.7° | 60.0° |
| H29 | C13 | H30 | H31 | 120.0° | 120.0° |
| H32 | C3 | C4 | H34 | 174.4° | 180.0° |
| H32 | C3 | C4 | H35 | 67.1° | 60.0° |
| H33 | C3 | C4 | H34 | 53.5° | 60.0° |
| H33 | C3 | C4 | H35 | 171.9° | 180.0° |
| H34 | C4 | C5 | H36 | 177.7° | 180.0° |
| H34 | C4 | C5 | H37 | 58.2° | 60.0° |
| H35 | C4 | C5 | H36 | 63.8° | 60.0° |
| H35 | C4 | C5 | H37 | 176.8° | 179.9° |
| H36 | C5 | C6 | H38 | 164.0° | 180.0° |
| H36 | C5 | C6 | H39 | 44.5° | 59.9° |
| H37 | C5 | C6 | H38 | 76.6° | 60.0° |
| H37 | C5 | C6 | H39 | 163.9° | 179.9° |
| H38 | C6 | C7 | H40 | 151.1° | 180.0° |
| H38 | C6 | C7 | H41 | 88.8° | 60.0° |
| H39 | C6 | C7 | H40 | 31.6° | 60.0° |
| H39 | C6 | C7 | H41 | 151.7° | 180.0° |
| H40 | C7 | C8 | H42 | 141.2° | 180.0° |
| H40 | C7 | C8 | H43 | 22.3° | 60.0° |
| H41 | C7 | C8 | H42 | 98.7° | 60.0° |
| H41 | C7 | C8 | H43 | 142.4° | 180.0° |
| H42 | C8 | C9 | H44 | 175.7° | 60.0° |
| H42 | C8 | C9 | H45 | 64.6° | 180.0° |
| H43 | C8 | C9 | H44 | 56.9° | 179.9° |
| H43 | C8 | C9 | H45 | 176.6° | 60.0° |
