A1JDM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.38Å | 1.34Å | |
| C2 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | N8 | sing | 1.35Å | 1.39Å | Aromatic |
| N8 | C9 | doub | 1.30Å | 1.31Å | Aromatic |
| C9 | N10 | sing | 1.36Å | 1.37Å | Aromatic |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| C11 | O12 | sing | 1.44Å | 1.42Å | |
| O12 | C13 | sing | 1.45Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | O15 | sing | 1.43Å | 1.44Å | |
| O15 | P16 | sing | 1.61Å | 1.62Å | |
| P16 | O17 | sing | 1.61Å | 1.52Å | |
| P16 | O18 | sing | 1.61Å | 1.51Å | |
| P16 | O19 | doub | 1.48Å | 1.51Å | |
| C13 | C20 | sing | 1.54Å | 1.53Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C21 | F22 | sing | 1.40Å | 1.40Å | |
| C20 | O23 | sing | 1.43Å | 1.45Å | |
| O23 | P24 | sing | 1.61Å | 1.61Å | |
| P24 | O25 | sing | 1.61Å | 1.49Å | |
| P24 | O26 | doub | 1.48Å | 1.48Å | |
| P24 | C27 | sing | 1.81Å | 1.77Å | |
| C27 | C28 | doub | 1.31Å | 1.32Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C29 | C30 | sing | 1.54Å | 1.54Å | |
| C30 | O31 | sing | 1.43Å | 1.43Å | |
| C30 | C32 | sing | 1.55Å | 1.52Å | |
| C32 | C33 | sing | 1.55Å | 1.52Å | |
| C33 | O34 | sing | 1.44Å | 1.42Å | |
| C33 | N35 | sing | 1.46Å | 1.46Å | |
| N35 | C36 | sing | 1.36Å | 1.37Å | Aromatic |
| C36 | N37 | doub | 1.30Å | 1.31Å | Aromatic |
| N37 | C38 | sing | 1.35Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.40Å | 1.39Å | Aromatic |
| C39 | N40 | sing | 1.33Å | 1.34Å | Aromatic |
| N40 | C41 | doub | 1.32Å | 1.34Å | Aromatic |
| C41 | N42 | sing | 1.32Å | 1.34Å | Aromatic |
| N42 | C43 | doub | 1.33Å | 1.35Å | Aromatic |
| C43 | N44 | sing | 1.38Å | 1.34Å | |
| C7 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| N10 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| C21 | C11 | sing | 1.54Å | 1.52Å | |
| O34 | C29 | sing | 1.44Å | 1.44Å | |
| C39 | N35 | sing | 1.37Å | 1.37Å | Aromatic |
| C43 | C38 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H1B | sing | 0.97Å | 1.00Å | |
| N1 | H1A | sing | 0.97Å | 1.00Å | |
| N44 | H44A | sing | 0.97Å | 1.00Å | |
| N44 | H44B | sing | 0.97Å | 1.00Å | |
| O17 | H1 | sing | 0.97Å | 0.95Å | |
| O18 | H2 | sing | 0.97Å | 0.95Å | |
| O25 | H3 | sing | 0.97Å | 0.95Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 118.5° | 120.8° |
| N1 | C2 | C7 | 123.8° | 120.8° |
| C2 | N1 | H1B | 109.5° | 120.0° |
| C2 | N1 | H1A | 109.4° | 120.0° |
| C2 | N3 | C4 | 118.8° | 121.2° |
| N3 | C2 | C7 | 117.7° | 118.4° |
| N3 | C4 | N5 | 128.8° | 122.4° |
| N3 | C4 | H4 | 115.6° | 118.8° |
| C4 | N5 | C6 | 111.1° | 120.7° |
| N5 | C4 | H4 | 115.6° | 118.8° |
| N5 | C6 | C7 | 126.8° | 119.1° |
| N5 | C6 | N10 | 127.4° | 134.9° |
| C6 | C7 | N8 | 110.8° | 107.2° |
| C6 | C7 | C2 | 116.9° | 118.2° |
| C7 | C6 | N10 | 105.9° | 106.0° |
| C7 | N8 | C9 | 103.6° | 109.4° |
| N8 | C7 | C2 | 132.4° | 134.7° |
| N8 | C9 | N10 | 114.3° | 110.0° |
| N8 | C9 | H9 | 122.9° | 125.0° |
| C9 | N10 | C11 | 127.4° | 126.3° |
| C9 | N10 | C6 | 105.5° | 107.5° |
| N10 | C9 | H9 | 122.9° | 125.0° |
| N10 | C11 | O12 | 108.5° | 110.3° |
| C11 | N10 | C6 | 127.0° | 126.3° |
| N10 | C11 | C21 | 115.6° | 110.5° |
| N10 | C11 | H11 | 109.1° | 110.3° |
| C11 | O12 | C13 | 111.2° | 105.2° |
| O12 | C11 | C21 | 105.7° | 104.8° |
| O12 | C11 | H11 | 109.6° | 110.4° |
| O12 | C13 | C14 | 109.1° | 110.4° |
| O12 | C13 | C20 | 105.5° | 104.8° |
| O12 | C13 | H13 | 109.9° | 110.5° |
| C13 | C14 | O15 | 110.0° | 109.5° |
| C14 | C13 | C20 | 114.4° | 110.4° |
| C14 | C13 | H13 | 109.1° | 110.4° |
| C13 | C14 | H14B | 109.3° | 109.5° |
| C13 | C14 | H14A | 109.3° | 109.4° |
| C14 | O15 | P16 | 118.6° | 123.0° |
| O15 | C14 | H14B | 109.4° | 109.5° |
| O15 | C14 | H14A | 109.4° | 109.5° |
| O15 | P16 | O17 | 105.7° | 109.5° |
| O15 | P16 | O18 | 106.0° | 109.4° |
| O15 | P16 | O19 | 105.6° | 109.5° |
| O17 | P16 | O18 | 112.6° | 109.5° |
| O17 | P16 | O19 | 113.1° | 109.5° |
| P16 | O17 | H1 | 109.5° | 114.0° |
| O18 | P16 | O19 | 113.0° | 109.5° |
| P16 | O18 | H2 | 109.5° | 113.9° |
| C13 | C20 | C21 | 102.7° | 104.1° |
| C13 | C20 | O23 | 108.5° | 110.5° |
| C20 | C13 | H13 | 108.8° | 110.4° |
| C13 | C20 | H20 | 109.2° | 110.5° |
| C20 | C21 | F22 | 110.3° | 110.5° |
| C21 | C20 | O23 | 116.4° | 110.5° |
| C20 | C21 | C11 | 102.7° | 104.1° |
| C21 | C20 | H20 | 109.3° | 110.5° |
| C20 | C21 | H21 | 111.4° | 110.4° |
| F22 | C21 | C11 | 106.9° | 110.6° |
| F22 | C21 | H21 | 113.5° | 110.6° |
| C20 | O23 | P24 | 132.0° | 123.0° |
| O23 | C20 | H20 | 110.3° | 110.5° |
| O23 | P24 | O25 | 107.4° | 109.5° |
| O23 | P24 | O26 | 107.8° | 109.5° |
| O23 | P24 | C27 | 102.7° | 109.5° |
| O25 | P24 | O26 | 114.6° | 109.5° |
| O25 | P24 | C27 | 109.4° | 109.4° |
| P24 | O25 | H3 | 109.5° | 114.0° |
| O26 | P24 | C27 | 114.1° | 109.5° |
| P24 | C27 | C28 | 122.2° | 120.0° |
| P24 | C27 | H27 | 118.9° | 120.0° |
| C27 | C28 | C29 | 124.4° | 120.0° |
| C28 | C27 | H27 | 118.9° | 120.0° |
| C27 | C28 | H28 | 117.8° | 120.0° |
| C28 | C29 | C30 | 114.6° | 109.9° |
| C28 | C29 | O34 | 109.8° | 109.9° |
| C29 | C28 | H28 | 117.8° | 120.0° |
| C28 | C29 | H29 | 108.7° | 109.9° |
| C29 | C30 | O31 | 109.9° | 110.5° |
| C29 | C30 | C32 | 102.0° | 104.2° |
| C30 | C29 | O34 | 105.9° | 107.2° |
| C30 | C29 | H29 | 108.3° | 109.9° |
| C29 | C30 | H30 | 110.5° | 110.4° |
| O31 | C30 | C32 | 111.1° | 110.5° |
| O31 | C30 | H30 | 112.1° | 110.4° |
| C30 | O31 | H31 | 109.5° | 114.0° |
| C30 | C32 | C33 | 102.2° | 102.1° |
| C32 | C30 | H30 | 110.7° | 110.6° |
| C30 | C32 | H32B | 111.3° | 110.9° |
| C30 | C32 | H32A | 111.3° | 110.9° |
| C32 | C33 | O34 | 105.8° | 103.5° |
| C32 | C33 | N35 | 115.2° | 110.6° |
| C33 | C32 | H32B | 111.2° | 110.9° |
| C33 | C32 | H32A | 111.3° | 111.0° |
| C32 | C33 | H33 | 108.5° | 110.6° |
| O34 | C33 | N35 | 108.1° | 110.7° |
| C33 | O34 | C29 | 110.5° | 107.0° |
| O34 | C33 | H33 | 109.9° | 110.6° |
| C33 | N35 | C36 | 127.4° | 126.3° |
| C33 | N35 | C39 | 126.9° | 126.3° |
| N35 | C33 | H33 | 109.3° | 110.7° |
| N35 | C36 | N37 | 114.2° | 110.0° |
| C36 | N35 | C39 | 105.7° | 107.4° |
| N35 | C36 | H36 | 122.9° | 125.0° |
| C36 | N37 | C38 | 103.7° | 109.4° |
| N37 | C36 | H36 | 122.9° | 125.1° |
| N37 | C38 | C39 | 110.7° | 107.2° |
| N37 | C38 | C43 | 132.4° | 134.7° |
| C38 | C39 | N40 | 126.7° | 119.1° |
| C38 | C39 | N35 | 105.8° | 106.0° |
| C39 | C38 | C43 | 116.9° | 118.1° |
| C39 | N40 | C41 | 111.1° | 120.6° |
| N40 | C39 | N35 | 127.5° | 134.9° |
| N40 | C41 | N42 | 128.8° | 122.5° |
| N40 | C41 | H41 | 115.6° | 118.8° |
| C41 | N42 | C43 | 118.8° | 121.2° |
| N42 | C41 | H41 | 115.6° | 118.8° |
| N42 | C43 | N44 | 118.5° | 120.7° |
| N42 | C43 | C38 | 117.6° | 118.5° |
| N44 | C43 | C38 | 123.8° | 120.8° |
| C43 | N44 | H44A | 109.5° | 120.0° |
| C43 | N44 | H44B | 109.5° | 120.1° |
| C21 | C11 | H11 | 108.2° | 110.4° |
| C11 | C21 | H21 | 111.5° | 110.5° |
| O34 | C29 | H29 | 109.5° | 110.0° |
| H14B | C14 | H14A | 109.4° | 109.4° |
| H32B | C32 | H32A | 109.4° | 110.8° |
| H1B | N1 | H1A | 109.5° | 120.0° |
| H44A | N44 | H44B | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | C7 | 179.1° | 179.8° |
| N1 | C2 | N3 | C4 | 179.0° | 179.8° |
| N1 | C2 | C7 | C6 | 178.9° | 179.8° |
| N1 | C2 | C7 | N8 | 0.4° | 0.3° |
| C2 | N1 | H1B | H1A | 120.0° | 180.0° |
| C2 | N3 | C4 | N5 | 0.0° | 0.0° |
| N3 | C2 | C7 | C6 | 0.2° | 0.0° |
| N3 | C2 | C7 | N8 | 179.5° | 180.0° |
| C2 | N3 | C4 | H4 | 180.0° | 180.0° |
| N3 | C2 | N1 | H1B | 0.0° | 0.0° |
| N3 | C2 | N1 | H1A | 120.0° | 180.0° |
| N3 | C4 | N5 | H4 | 180.0° | 180.0° |
| N3 | C4 | N5 | C6 | 0.0° | 0.0° |
| C4 | N3 | C2 | C7 | 0.1° | 0.0° |
| C4 | N5 | C6 | C7 | 0.1° | 0.0° |
| C4 | N5 | C6 | N10 | 179.3° | 180.0° |
| N5 | C6 | C7 | N10 | 179.5° | 180.0° |
| N5 | C6 | C7 | N8 | 179.6° | 180.0° |
| N5 | C6 | N10 | C9 | 179.6° | 180.0° |
| N5 | C6 | N10 | C11 | 3.0° | 0.0° |
| N5 | C6 | C7 | C2 | 0.2° | 0.0° |
| C6 | N5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C7 | N8 | C2 | 179.3° | 180.0° |
| C6 | C7 | N8 | C9 | 0.0° | 0.0° |
| C7 | C6 | N10 | C9 | 0.1° | 0.0° |
| C7 | C6 | N10 | C11 | 176.5° | 180.0° |
| C7 | N8 | C9 | N10 | 0.0° | 0.0° |
| N8 | C7 | C6 | N10 | 0.1° | 0.0° |
| C7 | N8 | C9 | H9 | 180.0° | 180.0° |
| N8 | C9 | N10 | H9 | 180.0° | 180.0° |
| N8 | C9 | N10 | C11 | 176.5° | 180.0° |
| C9 | N8 | C7 | C2 | 179.3° | 180.0° |
| N8 | C9 | N10 | C6 | 0.1° | 0.0° |
| C9 | N10 | C11 | C6 | 175.9° | 179.9° |
| C9 | N10 | C11 | O12 | 41.9° | 23.5° |
| C9 | N10 | C11 | C21 | 76.6° | 91.9° |
| C9 | N10 | C11 | H11 | 161.3° | 145.8° |
| N10 | C11 | O12 | C21 | 124.6° | 118.9° |
| N10 | C11 | O12 | H11 | 119.0° | 122.2° |
| N10 | C11 | O12 | C13 | 109.6° | 159.5° |
| N10 | C11 | C21 | C20 | 89.2° | 142.8° |
| N10 | C11 | C21 | F22 | 154.7° | 98.5° |
| N10 | C11 | C21 | H11 | 122.6° | 122.2° |
| N10 | C11 | C21 | H21 | 30.2° | 24.3° |
| C11 | N10 | C9 | H9 | 3.5° | 0.0° |
| C11 | O12 | C13 | C14 | 130.5° | 159.3° |
| C11 | O12 | C13 | C20 | 7.2° | 40.5° |
| O12 | C11 | C21 | C20 | 30.8° | 24.0° |
| O12 | C11 | C21 | F22 | 85.3° | 142.6° |
| O12 | C11 | N10 | C6 | 134.0° | 156.4° |
| O12 | C11 | C21 | H11 | 117.4° | 118.9° |
| C11 | O12 | C13 | H13 | 109.9° | 78.3° |
| O12 | C11 | C21 | H21 | 150.2° | 94.6° |
| O12 | C13 | C14 | C20 | 117.9° | 115.4° |
| O12 | C13 | C14 | H13 | 120.1° | 122.4° |
| O12 | C13 | C14 | O15 | 102.2° | 69.6° |
| O12 | C13 | C20 | H13 | 117.9° | 118.9° |
| O12 | C13 | C20 | C21 | 26.1° | 24.0° |
| O12 | C13 | C20 | O23 | 149.9° | 142.6° |
| C13 | O12 | C11 | C21 | 15.0° | 40.5° |
| C13 | O12 | C11 | H11 | 131.4° | 78.4° |
| O12 | C13 | C14 | H14B | 137.7° | 170.3° |
| O12 | C13 | C14 | H14A | 17.9° | 50.4° |
| O12 | C13 | C20 | H20 | 89.8° | 94.7° |
| C13 | C14 | O15 | H14B | 120.1° | 120.0° |
| C13 | C14 | O15 | H14A | 120.1° | 120.0° |
| C13 | C14 | O15 | P16 | 177.1° | 180.0° |
| C14 | C13 | C20 | H13 | 122.2° | 122.2° |
| C14 | C13 | C20 | C21 | 146.0° | 142.8° |
| C14 | C13 | C20 | O23 | 90.1° | 98.6° |
| C13 | C14 | H14B | H14A | 119.7° | 120.0° |
| C14 | C13 | C20 | H20 | 30.1° | 24.1° |
| C14 | O15 | P16 | O17 | 48.5° | 65.0° |
| C14 | O15 | P16 | O18 | 168.3° | 175.0° |
| C14 | O15 | P16 | O19 | 71.6° | 55.0° |
| O15 | C14 | C13 | C20 | 140.0° | 175.0° |
| O15 | C14 | C13 | H13 | 17.9° | 52.8° |
| O15 | C14 | H14B | H14A | 119.8° | 120.0° |
| O15 | P16 | O17 | O18 | 115.3° | 119.9° |
| O15 | P16 | O17 | O19 | 115.0° | 120.0° |
| O15 | P16 | O18 | O19 | 115.2° | 120.0° |
| P16 | O15 | C14 | H14B | 62.8° | 60.0° |
| P16 | O15 | C14 | H14A | 57.0° | 60.0° |
| O15 | P16 | O17 | H1 | 115.1° | 60.0° |
| O15 | P16 | O18 | H2 | 115.2° | 180.0° |
| O17 | P16 | O18 | O19 | 129.7° | 120.0° |
| O17 | P16 | O18 | H2 | 129.7° | 60.0° |
| O18 | P16 | O17 | H1 | 129.6° | 60.0° |
| O19 | P16 | O17 | H1 | 0.0° | 180.0° |
| O19 | P16 | O18 | H2 | 0.0° | 60.1° |
| C13 | C20 | C21 | O23 | 118.3° | 118.6° |
| C13 | C20 | C21 | H20 | 115.9° | 118.7° |
| C13 | C20 | C21 | F22 | 79.4° | 118.7° |
| C13 | C20 | O23 | H20 | 119.6° | 122.7° |
| C13 | C20 | O23 | P24 | 101.2° | 120.0° |
| C13 | C20 | C21 | C11 | 34.2° | 0.0° |
| C20 | C13 | C14 | H14B | 19.9° | 55.0° |
| C20 | C13 | C14 | H14A | 99.9° | 65.0° |
| C13 | C20 | C21 | H21 | 153.7° | 118.7° |
| C20 | C21 | F22 | C11 | 110.9° | 114.7° |
| C20 | C21 | F22 | H21 | 125.9° | 122.6° |
| C21 | C20 | O23 | H20 | 125.3° | 122.7° |
| C21 | C20 | O23 | P24 | 13.9° | 125.4° |
| C20 | C21 | C11 | H21 | 119.4° | 118.6° |
| C20 | C21 | C11 | H11 | 148.2° | 94.9° |
| C21 | C20 | C13 | H13 | 91.8° | 94.9° |
| F22 | C21 | C20 | O23 | 39.0° | 0.0° |
| F22 | C21 | C11 | H21 | 124.5° | 122.8° |
| F22 | C21 | C11 | H11 | 32.1° | 23.8° |
| F22 | C21 | C20 | H20 | 164.8° | 122.7° |
| C20 | O23 | P24 | O25 | 165.3° | 65.1° |
| C20 | O23 | P24 | O26 | 41.4° | 55.0° |
| C20 | O23 | P24 | C27 | 79.3° | 175.0° |
| O23 | C20 | C21 | C11 | 152.6° | 118.7° |
| O23 | C20 | C13 | H13 | 32.0° | 23.7° |
| O23 | C20 | C21 | H21 | 88.0° | 122.7° |
| O23 | P24 | O25 | O26 | 119.7° | 120.0° |
| O23 | P24 | O25 | C27 | 110.7° | 120.0° |
| O23 | P24 | O26 | C27 | 113.3° | 120.0° |
| O23 | P24 | C27 | C28 | 123.8° | 120.0° |
| P24 | O23 | C20 | H20 | 139.2° | 2.7° |
| O23 | P24 | C27 | H27 | 56.2° | 60.0° |
| O23 | P24 | O25 | H3 | 119.7° | 60.0° |
| O25 | P24 | O26 | C27 | 127.2° | 120.0° |
| O25 | P24 | C27 | C28 | 122.4° | 0.0° |
| O25 | P24 | C27 | H27 | 57.6° | 180.0° |
| O26 | P24 | C27 | C28 | 7.5° | 120.0° |
| O26 | P24 | C27 | H27 | 172.5° | 60.0° |
| O26 | P24 | O25 | H3 | 0.0° | 180.0° |
| P24 | C27 | C28 | H27 | 180.0° | 180.0° |
| P24 | C27 | C28 | C29 | 149.6° | 180.0° |
| P24 | C27 | C28 | H28 | 30.4° | 0.0° |
| C27 | P24 | O25 | H3 | 129.6° | 60.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 160.0° | 125.0° |
| C27 | C28 | C29 | O34 | 80.9° | 7.2° |
| C27 | C28 | C29 | H29 | 38.8° | 114.0° |
| C28 | C29 | C30 | O34 | 121.2° | 119.4° |
| C28 | C29 | C30 | H29 | 121.5° | 121.1° |
| C28 | C29 | C30 | O31 | 94.7° | 119.9° |
| C28 | C29 | C30 | C32 | 147.3° | 121.4° |
| C28 | C29 | O34 | C33 | 129.8° | 145.9° |
| C28 | C29 | O34 | H29 | 119.3° | 121.1° |
| C29 | C28 | C27 | H27 | 30.4° | 0.0° |
| C28 | C29 | C30 | H30 | 29.6° | 2.6° |
| C29 | C30 | O31 | C32 | 112.2° | 114.8° |
| C29 | C30 | O31 | H30 | 123.3° | 122.5° |
| C29 | C30 | C32 | H30 | 117.6° | 118.7° |
| C29 | C30 | C32 | C33 | 35.6° | 20.9° |
| C30 | C29 | O34 | C33 | 5.6° | 26.5° |
| C30 | C29 | O34 | H29 | 116.5° | 119.4° |
| C30 | C29 | C28 | H28 | 20.0° | 55.0° |
| C29 | C30 | C32 | H32B | 154.4° | 97.3° |
| C29 | C30 | C32 | H32A | 83.2° | 139.1° |
| C29 | C30 | O31 | H31 | 180.0° | 180.0° |
| O31 | C30 | C32 | H30 | 125.3° | 122.6° |
| O31 | C30 | C32 | C33 | 152.7° | 97.8° |
| O31 | C30 | C29 | O34 | 144.1° | 120.7° |
| O31 | C30 | C29 | H29 | 26.8° | 1.2° |
| O31 | C30 | C32 | H32B | 88.4° | 144.0° |
| O31 | C30 | C32 | H32A | 33.9° | 20.4° |
| C30 | C32 | C33 | H32B | 118.8° | 118.2° |
| C30 | C32 | C33 | H32A | 118.8° | 118.2° |
| C30 | C32 | C33 | O34 | 33.6° | 37.0° |
| C30 | C32 | C33 | N35 | 85.7° | 155.6° |
| C32 | C30 | C29 | O34 | 26.1° | 2.0° |
| C32 | C30 | C29 | H29 | 91.2° | 117.5° |
| C30 | C32 | H32B | H32A | 123.4° | 123.6° |
| C30 | C32 | C33 | H33 | 151.5° | 81.5° |
| C32 | C30 | O31 | H31 | 67.8° | 65.2° |
| C32 | C33 | O34 | N35 | 123.9° | 118.5° |
| C32 | C33 | O34 | H33 | 116.9° | 118.5° |
| C32 | C33 | N35 | H33 | 122.4° | 122.9° |
| C32 | C33 | N35 | C36 | 81.3° | 95.0° |
| C32 | C33 | O34 | C29 | 17.7° | 40.0° |
| C32 | C33 | N35 | C39 | 99.7° | 85.0° |
| C33 | C32 | C30 | H30 | 82.0° | 139.6° |
| C33 | C32 | H32B | H32A | 123.4° | 123.7° |
| O34 | C33 | N35 | H33 | 119.5° | 123.0° |
| O34 | C33 | N35 | C36 | 36.7° | 19.1° |
| O34 | C33 | N35 | C39 | 142.2° | 160.9° |
| C33 | O34 | C29 | H29 | 110.9° | 92.9° |
| O34 | C33 | C32 | H32B | 152.4° | 81.2° |
| O34 | C33 | C32 | H32A | 85.2° | 155.2° |
| C33 | N35 | C36 | C39 | 179.1° | 180.0° |
| C33 | N35 | C36 | N37 | 179.1° | 180.0° |
| C33 | N35 | C39 | C38 | 179.1° | 179.7° |
| C33 | N35 | C39 | N40 | 0.7° | 0.3° |
| N35 | C33 | O34 | C29 | 106.1° | 158.5° |
| N35 | C33 | C32 | H32B | 33.1° | 37.4° |
| N35 | C33 | C32 | H32A | 155.4° | 86.3° |
| C33 | N35 | C36 | H36 | 0.9° | 0.3° |
| N35 | C36 | N37 | H36 | 180.0° | 179.7° |
| N35 | C36 | N37 | C38 | 0.0° | 0.3° |
| C36 | N35 | C39 | C38 | 0.0° | 0.3° |
| C36 | N35 | C39 | N40 | 179.8° | 179.7° |
| C36 | N35 | C33 | H33 | 156.3° | 142.1° |
| C36 | N37 | C38 | C39 | 0.0° | 0.4° |
| N37 | C36 | N35 | C39 | 0.0° | 0.0° |
| C36 | N37 | C38 | C43 | 179.7° | 179.9° |
| N37 | C38 | C39 | C43 | 179.8° | 179.6° |
| N37 | C38 | C39 | N40 | 179.8° | 179.5° |
| N37 | C38 | C43 | N42 | 179.8° | 179.4° |
| N37 | C38 | C43 | N44 | 0.1° | 0.5° |
| N37 | C38 | C39 | N35 | 0.0° | 0.4° |
| C38 | N37 | C36 | H36 | 180.0° | 180.0° |
| C38 | C39 | N40 | N35 | 179.7° | 180.0° |
| C38 | C39 | N40 | C41 | 0.0° | 0.0° |
| C39 | C38 | C43 | N42 | 0.0° | 0.0° |
| C39 | C38 | C43 | N44 | 179.9° | 180.0° |
| C39 | N40 | C41 | N42 | 0.0° | 0.0° |
| N40 | C39 | C38 | C43 | 0.0° | 0.0° |
| C39 | N40 | C41 | H41 | 180.0° | 180.0° |
| N40 | C41 | N42 | H41 | 180.0° | 180.0° |
| N40 | C41 | N42 | C43 | 0.1° | 0.0° |
| C41 | N40 | C39 | N35 | 179.7° | 180.0° |
| C41 | N42 | C43 | N44 | 179.9° | 180.0° |
| C41 | N42 | C43 | C38 | 0.1° | 0.0° |
| N42 | C43 | N44 | C38 | 179.9° | 179.9° |
| C43 | N42 | C41 | H41 | 180.0° | 180.0° |
| N42 | C43 | N44 | H44A | 0.0° | 180.0° |
| N42 | C43 | N44 | H44B | 120.0° | 0.0° |
| C43 | N44 | H44A | H44B | 120.0° | 180.0° |
| C2 | C7 | C6 | N10 | 179.3° | 180.0° |
| C7 | C2 | N1 | H1B | 179.1° | 179.8° |
| C7 | C2 | N1 | H1A | 59.0° | 0.3° |
| C6 | N10 | C11 | C21 | 107.5° | 88.1° |
| C6 | N10 | C11 | H11 | 14.7° | 34.2° |
| C6 | N10 | C9 | H9 | 179.9° | 180.0° |
| C11 | C21 | C20 | H20 | 81.6° | 118.6° |
| O34 | C29 | C28 | H28 | 99.1° | 172.8° |
| O34 | C29 | C30 | H30 | 91.6° | 116.9° |
| C29 | O34 | C33 | H33 | 134.7° | 78.4° |
| N35 | C39 | C38 | C43 | 179.7° | 180.0° |
| C39 | N35 | C33 | H33 | 22.7° | 37.9° |
| C39 | N35 | C36 | H36 | 180.0° | 179.7° |
| C38 | C43 | N44 | H44A | 179.9° | 0.0° |
| C38 | C43 | N44 | H44B | 59.9° | 180.0° |
| H11 | C11 | C21 | H21 | 92.4° | 146.5° |
| H13 | C13 | C14 | H14B | 102.1° | 67.3° |
| H13 | C13 | C14 | H14A | 138.0° | 172.8° |
| H13 | C13 | C20 | H20 | 152.3° | 146.4° |
| H20 | C20 | C21 | H21 | 37.8° | 0.0° |
| H27 | C27 | C28 | H28 | 149.6° | 180.0° |
| H28 | C28 | C29 | H29 | 141.2° | 66.0° |
| H29 | C29 | C30 | H30 | 151.1° | 123.6° |
| H30 | C30 | C32 | H32B | 36.8° | 21.4° |
| H30 | C30 | C32 | H32A | 159.2° | 102.2° |
| H30 | C30 | O31 | H31 | 56.7° | 57.5° |
| H32B | C32 | C33 | H33 | 89.7° | 160.4° |
| H32A | C32 | C33 | H33 | 32.6° | 36.7° |
