8JD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1M | CP | sing | 1.53Å | 1.51Å | |
| CP | S1 | sing | 1.81Å | 1.66Å | |
| S1 | C2 | sing | 1.81Å | 1.78Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| O5 | C5 | doub | 1.21Å | 1.23Å | |
| C3 | N4 | sing | 1.47Å | 1.46Å | |
| C5 | N4 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | N8 | sing | 1.46Å | 1.46Å | |
| C14 | C11 | sing | 1.53Å | 1.52Å | |
| N6A | C6A | sing | 1.38Å | 1.35Å | |
| N8 | C9 | sing | 1.35Å | 1.34Å | |
| O10 | C10 | sing | 1.43Å | 1.44Å | |
| C6A | N1A | doub | 1.33Å | 1.35Å | Aromatic |
| C6A | C5A | sing | 1.41Å | 1.47Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | O9 | doub | 1.21Å | 1.23Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| N1A | C2A | sing | 1.32Å | 1.35Å | Aromatic |
| C12 | O6A | sing | 1.43Å | 1.42Å | |
| N7A | C5A | sing | 1.35Å | 1.34Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.35Å | Aromatic |
| C5A | C4A | doub | 1.41Å | 1.47Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.36Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.36Å | Aromatic |
| O6A | P2A | sing | 1.61Å | 1.61Å | |
| C4A | N3A | sing | 1.33Å | 1.36Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.33Å | Aromatic |
| O4A | P2A | doub | 1.48Å | 1.50Å | |
| O2A | P1A | doub | 1.48Å | 1.51Å | |
| O3A | P2A | sing | 1.61Å | 1.62Å | |
| O3A | P1A | sing | 1.61Å | 1.62Å | |
| N9A | C1X | sing | 1.47Å | 1.48Å | |
| P2A | O5A | sing | 1.61Å | 1.51Å | |
| P1A | O1A | sing | 1.61Å | 1.51Å | |
| P1A | O5X | sing | 1.61Å | 1.59Å | |
| C1X | O4X | sing | 1.44Å | 1.42Å | |
| C1X | C2X | sing | 1.54Å | 1.54Å | |
| O5X | C5X | sing | 1.43Å | 1.43Å | |
| O4X | C4X | sing | 1.44Å | 1.44Å | |
| C2X | O2X | sing | 1.43Å | 1.44Å | |
| C2X | C3X | sing | 1.55Å | 1.51Å | |
| C5X | C4X | sing | 1.53Å | 1.52Å | |
| C4X | C3X | sing | 1.55Å | 1.53Å | |
| C3X | O3X | sing | 1.43Å | 1.43Å | |
| N6A | H1 | sing | 0.97Å | 1.00Å | |
| N6A | H2 | sing | 0.97Å | 1.00Å | |
| C2A | H3 | sing | 1.08Å | 1.08Å | |
| C8A | H4 | sing | 1.08Å | 1.08Å | |
| C1M | H5 | sing | 1.09Å | 1.10Å | |
| C1M | H6 | sing | 1.09Å | 1.10Å | |
| C1M | H7 | sing | 1.09Å | 1.10Å | |
| CP | H8 | sing | 1.09Å | 1.10Å | |
| CP | H9 | sing | 1.09Å | 1.10Å | |
| O3X | H10 | sing | 0.97Å | 0.95Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| N8 | H16 | sing | 0.97Å | 1.00Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| O1A | H25 | sing | 0.97Å | 0.95Å | |
| C4X | H26 | sing | 1.09Å | 1.10Å | |
| C1X | H27 | sing | 1.09Å | 1.10Å | |
| C2X | H28 | sing | 1.09Å | 1.10Å | |
| O2X | H29 | sing | 0.97Å | 0.95Å | |
| C3X | H30 | sing | 1.09Å | 1.10Å | |
| C5X | H31 | sing | 1.09Å | 1.10Å | |
| C5X | H32 | sing | 1.09Å | 1.10Å | |
| O5A | H33 | sing | 0.97Å | 0.95Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| O10 | H35 | sing | 0.97Å | 0.95Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H37 | sing | 1.09Å | 1.10Å | |
| C2 | H38 | sing | 1.09Å | 1.10Å | |
| C2 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1M | CP | S1 | 117.6° | 109.5° |
| CP | C1M | H5 | 109.5° | 109.4° |
| CP | C1M | H6 | 109.5° | 109.5° |
| CP | C1M | H7 | 109.4° | 109.5° |
| C1M | CP | H8 | 107.4° | 109.5° |
| C1M | CP | H9 | 107.4° | 109.5° |
| CP | S1 | C2 | 97.7° | 103.0° |
| S1 | CP | H8 | 107.4° | 109.4° |
| S1 | CP | H9 | 107.4° | 109.5° |
| S1 | C2 | C3 | 107.9° | 109.5° |
| S1 | C2 | H38 | 109.9° | 109.5° |
| S1 | C2 | H39 | 109.9° | 109.4° |
| C2 | C3 | N4 | 114.4° | 109.4° |
| C2 | C3 | H36 | 108.2° | 109.5° |
| C2 | C3 | H37 | 108.2° | 109.5° |
| C3 | C2 | H38 | 109.9° | 109.5° |
| C3 | C2 | H39 | 109.9° | 109.5° |
| O5 | C5 | N4 | 123.1° | 120.0° |
| O5 | C5 | C6 | 120.6° | 120.0° |
| C3 | N4 | C5 | 122.6° | 120.0° |
| C3 | N4 | H11 | 118.7° | 120.0° |
| N4 | C3 | H36 | 108.2° | 109.5° |
| N4 | C3 | H37 | 108.3° | 109.5° |
| N4 | C5 | C6 | 116.3° | 120.0° |
| C5 | N4 | H11 | 118.7° | 120.0° |
| C5 | C6 | C7 | 111.6° | 109.5° |
| C5 | C6 | H12 | 108.9° | 109.4° |
| C5 | C6 | H13 | 108.9° | 109.5° |
| C6 | C7 | N8 | 114.9° | 109.5° |
| C7 | C6 | H12 | 108.9° | 109.5° |
| C7 | C6 | H13 | 108.9° | 109.5° |
| C6 | C7 | H14 | 108.1° | 109.5° |
| C6 | C7 | H15 | 108.1° | 109.5° |
| C7 | N8 | C9 | 122.9° | 120.0° |
| N8 | C7 | H14 | 108.1° | 109.4° |
| N8 | C7 | H15 | 108.1° | 109.5° |
| C7 | N8 | H16 | 118.5° | 120.0° |
| C14 | C11 | C10 | 109.8° | 109.5° |
| C14 | C11 | C12 | 109.1° | 109.5° |
| C14 | C11 | C13 | 109.4° | 109.5° |
| C11 | C14 | H20 | 109.5° | 109.5° |
| C11 | C14 | H21 | 109.5° | 109.4° |
| C11 | C14 | H22 | 109.5° | 109.5° |
| N6A | C6A | N1A | 122.7° | 120.8° |
| N6A | C6A | C5A | 118.7° | 120.8° |
| C6A | N6A | H1 | 109.5° | 120.0° |
| C6A | N6A | H2 | 109.4° | 120.0° |
| N8 | C9 | C10 | 118.2° | 120.0° |
| N8 | C9 | O9 | 123.0° | 120.0° |
| C9 | N8 | H16 | 118.6° | 119.9° |
| O10 | C10 | C9 | 112.7° | 109.5° |
| O10 | C10 | C11 | 109.5° | 109.5° |
| O10 | C10 | H34 | 108.1° | 109.5° |
| C10 | O10 | H35 | 109.5° | 114.0° |
| N1A | C6A | C5A | 118.6° | 118.5° |
| C6A | N1A | C2A | 120.8° | 121.2° |
| C6A | C5A | N7A | 134.6° | 134.7° |
| C6A | C5A | C4A | 117.3° | 118.2° |
| C10 | C9 | O9 | 118.8° | 120.0° |
| C9 | C10 | C11 | 111.9° | 109.4° |
| C9 | C10 | H34 | 107.3° | 109.5° |
| C10 | C11 | C12 | 107.9° | 109.5° |
| C10 | C11 | C13 | 110.0° | 109.5° |
| C11 | C10 | H34 | 107.0° | 109.5° |
| C12 | C11 | C13 | 110.5° | 109.4° |
| C11 | C12 | O6A | 110.5° | 109.4° |
| C11 | C12 | H23 | 109.2° | 109.5° |
| C11 | C12 | H24 | 109.2° | 109.5° |
| C11 | C13 | H17 | 109.5° | 109.5° |
| C11 | C13 | H18 | 109.5° | 109.5° |
| C11 | C13 | H19 | 109.5° | 109.5° |
| N1A | C2A | N3A | 124.7° | 122.5° |
| N1A | C2A | H3 | 117.7° | 118.8° |
| C12 | O6A | P2A | 123.5° | 123.0° |
| O6A | C12 | H23 | 109.2° | 109.5° |
| O6A | C12 | H24 | 109.2° | 109.5° |
| C5A | N7A | C8A | 106.8° | 109.5° |
| N7A | C5A | C4A | 108.0° | 107.1° |
| N7A | C8A | N9A | 110.8° | 109.9° |
| N7A | C8A | H4 | 124.6° | 125.0° |
| C5A | C4A | N3A | 119.1° | 119.1° |
| C5A | C4A | N9A | 104.8° | 106.0° |
| C2A | N3A | C4A | 119.5° | 120.6° |
| N3A | C2A | H3 | 117.6° | 118.7° |
| C8A | N9A | C4A | 109.6° | 107.5° |
| C8A | N9A | C1X | 126.8° | 126.2° |
| N9A | C8A | H4 | 124.6° | 125.0° |
| O6A | P2A | O4A | 110.6° | 109.5° |
| O6A | P2A | O3A | 99.2° | 109.5° |
| O6A | P2A | O5A | 105.1° | 109.5° |
| N3A | C4A | N9A | 136.0° | 135.0° |
| C4A | N9A | C1X | 123.4° | 126.3° |
| O4A | P2A | O3A | 108.7° | 109.5° |
| O4A | P2A | O5A | 119.9° | 109.5° |
| O2A | P1A | O3A | 107.4° | 109.5° |
| O2A | P1A | O1A | 117.7° | 109.5° |
| O2A | P1A | O5X | 106.5° | 109.5° |
| P2A | O3A | P1A | 129.6° | 134.0° |
| O3A | P2A | O5A | 111.3° | 109.4° |
| O3A | P1A | O1A | 113.7° | 109.5° |
| O3A | P1A | O5X | 99.4° | 109.5° |
| N9A | C1X | O4X | 115.0° | 110.4° |
| N9A | C1X | C2X | 107.8° | 110.4° |
| N9A | C1X | H27 | 108.9° | 110.3° |
| P2A | O5A | H33 | 109.5° | 114.0° |
| O1A | P1A | O5X | 110.3° | 109.4° |
| P1A | O1A | H25 | 109.5° | 114.0° |
| P1A | O5X | C5X | 120.2° | 123.0° |
| O4X | C1X | C2X | 107.1° | 104.8° |
| C1X | O4X | C4X | 108.4° | 105.3° |
| O4X | C1X | H27 | 109.6° | 110.3° |
| C1X | C2X | O2X | 113.3° | 110.5° |
| C1X | C2X | C3X | 101.1° | 104.1° |
| C2X | C1X | H27 | 108.2° | 110.5° |
| C1X | C2X | H28 | 109.1° | 110.5° |
| O5X | C5X | C4X | 109.8° | 109.5° |
| O5X | C5X | H31 | 109.4° | 109.4° |
| O5X | C5X | H32 | 109.4° | 109.5° |
| O4X | C4X | C5X | 107.8° | 110.5° |
| O4X | C4X | C3X | 107.6° | 104.8° |
| O4X | C4X | H26 | 110.5° | 110.3° |
| O2X | C2X | C3X | 113.2° | 110.5° |
| O2X | C2X | H28 | 110.4° | 110.4° |
| C2X | O2X | H29 | 109.5° | 114.0° |
| C2X | C3X | C4X | 103.3° | 104.0° |
| C2X | C3X | O3X | 111.0° | 110.5° |
| C3X | C2X | H28 | 109.4° | 110.6° |
| C2X | C3X | H30 | 110.9° | 110.5° |
| C5X | C4X | C3X | 112.5° | 110.4° |
| C5X | C4X | H26 | 109.3° | 110.4° |
| C4X | C5X | H31 | 109.4° | 109.5° |
| C4X | C5X | H32 | 109.4° | 109.5° |
| C4X | C3X | O3X | 108.5° | 110.5° |
| C3X | C4X | H26 | 109.1° | 110.4° |
| C4X | C3X | H30 | 110.5° | 110.5° |
| C3X | O3X | H10 | 109.5° | 114.0° |
| O3X | C3X | H30 | 112.2° | 110.6° |
| H1 | N6A | H2 | 109.5° | 120.0° |
| H5 | C1M | H6 | 109.5° | 109.5° |
| H5 | C1M | H7 | 109.5° | 109.5° |
| H6 | C1M | H7 | 109.5° | 109.4° |
| H8 | CP | H9 | 109.5° | 109.4° |
| H12 | C6 | H13 | 109.5° | 109.5° |
| H14 | C7 | H15 | 109.4° | 109.5° |
| H17 | C13 | H18 | 109.4° | 109.5° |
| H17 | C13 | H19 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.4° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H22 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.4° |
| H23 | C12 | H24 | 109.5° | 109.5° |
| H31 | C5X | H32 | 109.4° | 109.5° |
| H36 | C3 | H37 | 109.5° | 109.5° |
| H38 | C2 | H39 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1M | CP | S1 | H8 | 121.2° | 120.0° |
| C1M | CP | S1 | H9 | 121.2° | 120.0° |
| C1M | CP | S1 | C2 | 118.1° | 180.0° |
| CP | C1M | H5 | H6 | 120.0° | 120.0° |
| CP | C1M | H5 | H7 | 120.0° | 120.0° |
| CP | C1M | H6 | H7 | 120.0° | 120.0° |
| C1M | CP | H8 | H9 | 116.3° | 120.0° |
| CP | S1 | C2 | C3 | 166.1° | 180.0° |
| S1 | CP | C1M | H5 | 180.0° | 60.0° |
| S1 | CP | C1M | H6 | 60.0° | 60.0° |
| S1 | CP | C1M | H7 | 60.0° | 180.0° |
| S1 | CP | H8 | H9 | 116.3° | 120.0° |
| CP | S1 | C2 | H38 | 46.4° | 60.0° |
| CP | S1 | C2 | H39 | 74.1° | 60.0° |
| S1 | C2 | C3 | H38 | 119.8° | 120.0° |
| S1 | C2 | C3 | H39 | 119.8° | 120.0° |
| S1 | C2 | C3 | N4 | 153.4° | 180.0° |
| C2 | S1 | CP | H8 | 3.1° | 60.0° |
| C2 | S1 | CP | H9 | 120.8° | 60.0° |
| S1 | C2 | C3 | H36 | 32.7° | 60.0° |
| S1 | C2 | C3 | H37 | 85.9° | 60.0° |
| S1 | C2 | H38 | H39 | 120.7° | 119.9° |
| C2 | C3 | N4 | H36 | 120.7° | 120.0° |
| C2 | C3 | N4 | H37 | 120.7° | 120.0° |
| C2 | C3 | N4 | C5 | 98.2° | 180.0° |
| C2 | C3 | N4 | H11 | 81.8° | 0.0° |
| C2 | C3 | H36 | H37 | 117.8° | 120.0° |
| C3 | C2 | H38 | H39 | 120.7° | 120.1° |
| O5 | C5 | N4 | C3 | 9.2° | 0.0° |
| O5 | C5 | N4 | C6 | 178.3° | 180.0° |
| O5 | C5 | C6 | C7 | 67.4° | 0.0° |
| O5 | C5 | N4 | H11 | 170.8° | 180.0° |
| O5 | C5 | C6 | H12 | 52.9° | 120.0° |
| O5 | C5 | C6 | H13 | 172.3° | 120.0° |
| C3 | N4 | C5 | H11 | 180.0° | 179.9° |
| C3 | N4 | C5 | C6 | 169.1° | 180.0° |
| N4 | C3 | H36 | H37 | 117.8° | 120.0° |
| N4 | C3 | C2 | H38 | 86.8° | 60.0° |
| N4 | C3 | C2 | H39 | 33.6° | 60.0° |
| N4 | C5 | C6 | C7 | 110.9° | 180.0° |
| N4 | C5 | C6 | H12 | 128.7° | 60.0° |
| N4 | C5 | C6 | H13 | 9.4° | 60.0° |
| C5 | N4 | C3 | H36 | 141.1° | 60.0° |
| C5 | N4 | C3 | H37 | 22.6° | 60.0° |
| C5 | C6 | C7 | H12 | 120.3° | 119.9° |
| C5 | C6 | C7 | H13 | 120.3° | 120.0° |
| C5 | C6 | C7 | N8 | 50.5° | 180.0° |
| C6 | C5 | N4 | H11 | 10.9° | 0.0° |
| C5 | C6 | H12 | H13 | 119.0° | 120.0° |
| C5 | C6 | C7 | H14 | 70.3° | 60.0° |
| C5 | C6 | C7 | H15 | 171.3° | 60.0° |
| C6 | C7 | N8 | H14 | 120.8° | 120.0° |
| C6 | C7 | N8 | H15 | 120.8° | 120.0° |
| C6 | C7 | N8 | C9 | 93.8° | 180.0° |
| C7 | C6 | H12 | H13 | 119.0° | 120.0° |
| C6 | C7 | H14 | H15 | 117.6° | 120.1° |
| C6 | C7 | N8 | H16 | 86.2° | 0.0° |
| C7 | N8 | C9 | H16 | 180.0° | 179.9° |
| C7 | N8 | C9 | C10 | 178.6° | 174.9° |
| C7 | N8 | C9 | O9 | 1.8° | 5.2° |
| N8 | C7 | C6 | H12 | 170.9° | 60.1° |
| N8 | C7 | C6 | H13 | 69.8° | 60.0° |
| N8 | C7 | H14 | H15 | 117.5° | 120.0° |
| C14 | C11 | C10 | O10 | 55.1° | 174.1° |
| C14 | C11 | C10 | C9 | 70.7° | 65.9° |
| C14 | C11 | C10 | C12 | 118.9° | 120.0° |
| C14 | C11 | C10 | C13 | 120.5° | 120.0° |
| C14 | C11 | C12 | C13 | 120.4° | 120.0° |
| C14 | C11 | C12 | O6A | 161.1° | 60.0° |
| C14 | C11 | C13 | H17 | 180.0° | 180.0° |
| C14 | C11 | C13 | H18 | 60.0° | 60.0° |
| C14 | C11 | C13 | H19 | 60.0° | 60.0° |
| C11 | C14 | H20 | H21 | 120.0° | 120.0° |
| C11 | C14 | H20 | H22 | 120.0° | 120.0° |
| C11 | C14 | H21 | H22 | 120.0° | 120.0° |
| C14 | C11 | C12 | H23 | 41.0° | 180.0° |
| C14 | C11 | C12 | H24 | 78.7° | 60.0° |
| C14 | C11 | C10 | H34 | 172.1° | 54.0° |
| N6A | C6A | N1A | C5A | 179.4° | 179.7° |
| N6A | C6A | N1A | C2A | 179.5° | 180.0° |
| N6A | C6A | C5A | N7A | 0.8° | 0.0° |
| N6A | C6A | C5A | C4A | 179.6° | 179.8° |
| C6A | N6A | H1 | H2 | 120.0° | 179.7° |
| N8 | C9 | C10 | O10 | 32.5° | 11.7° |
| N8 | C9 | C10 | O9 | 179.6° | 180.0° |
| N8 | C9 | C10 | C11 | 91.5° | 108.3° |
| C9 | N8 | C7 | H14 | 145.4° | 60.0° |
| C9 | N8 | C7 | H15 | 27.0° | 60.0° |
| N8 | C9 | C10 | H34 | 151.5° | 131.7° |
| O10 | C10 | C9 | C11 | 124.0° | 120.0° |
| O10 | C10 | C9 | H34 | 118.9° | 120.0° |
| O10 | C10 | C9 | O9 | 147.9° | 168.2° |
| O10 | C10 | C11 | H34 | 117.0° | 120.0° |
| O10 | C10 | C11 | C12 | 63.8° | 54.0° |
| O10 | C10 | C11 | C13 | 175.6° | 65.9° |
| N1A | C6A | C5A | N7A | 179.8° | 179.7° |
| N1A | C6A | C5A | C4A | 0.9° | 0.5° |
| C6A | N1A | C2A | N3A | 0.3° | 0.0° |
| N1A | C6A | N6A | H1 | 0.0° | 0.1° |
| N1A | C6A | N6A | H2 | 120.0° | 179.7° |
| C6A | N1A | C2A | H3 | 179.6° | 180.0° |
| C5A | C6A | N1A | C2A | 0.1° | 0.3° |
| C6A | C5A | N7A | C4A | 178.9° | 179.7° |
| C6A | C5A | N7A | C8A | 179.5° | 179.2° |
| C6A | C5A | C4A | N3A | 1.4° | 0.5° |
| C6A | C5A | C4A | N9A | 179.5° | 179.7° |
| C5A | C6A | N6A | H1 | 179.4° | 179.7° |
| C5A | C6A | N6A | H2 | 59.4° | 0.6° |
| C9 | C10 | C11 | H34 | 117.2° | 120.0° |
| C9 | C10 | C11 | C12 | 170.4° | 174.0° |
| C9 | C10 | C11 | C13 | 49.8° | 54.1° |
| C10 | C9 | N8 | H16 | 1.3° | 5.1° |
| C9 | C10 | O10 | H35 | 180.0° | 60.0° |
| O9 | C9 | C10 | C11 | 88.1° | 71.8° |
| O9 | C9 | N8 | H16 | 178.2° | 174.9° |
| O9 | C9 | C10 | H34 | 28.9° | 48.2° |
| C10 | C11 | C12 | C13 | 120.3° | 120.0° |
| C10 | C11 | C12 | O6A | 79.5° | 180.0° |
| C10 | C11 | C13 | H17 | 59.2° | 60.0° |
| C10 | C11 | C13 | H18 | 60.8° | 180.0° |
| C10 | C11 | C13 | H19 | 179.2° | 60.1° |
| C10 | C11 | C14 | H20 | 180.0° | 64.4° |
| C10 | C11 | C14 | H21 | 60.0° | 175.6° |
| C10 | C11 | C14 | H22 | 60.0° | 55.6° |
| C10 | C11 | C12 | H23 | 160.3° | 60.0° |
| C10 | C11 | C12 | H24 | 40.6° | 60.1° |
| C11 | C10 | O10 | H35 | 54.6° | 60.0° |
| C11 | C12 | O6A | H23 | 120.1° | 120.0° |
| C11 | C12 | O6A | H24 | 120.1° | 120.0° |
| C11 | C12 | O6A | P2A | 152.7° | 180.0° |
| C12 | C11 | C13 | H17 | 59.8° | 60.0° |
| C12 | C11 | C13 | H18 | 179.8° | 60.0° |
| C12 | C11 | C13 | H19 | 60.2° | 180.0° |
| C12 | C11 | C14 | H20 | 61.9° | 175.6° |
| C12 | C11 | C14 | H21 | 178.1° | 55.6° |
| C12 | C11 | C14 | H22 | 58.1° | 64.4° |
| C11 | C12 | H23 | H24 | 119.6° | 120.0° |
| C12 | C11 | C10 | H34 | 53.2° | 66.0° |
| C13 | C11 | C12 | O6A | 40.7° | 60.0° |
| C11 | C13 | H17 | H18 | 120.0° | 120.0° |
| C11 | C13 | H17 | H19 | 120.0° | 120.0° |
| C11 | C13 | H18 | H19 | 120.0° | 120.0° |
| C13 | C11 | C14 | H20 | 59.1° | 55.6° |
| C13 | C11 | C14 | H21 | 60.9° | 64.4° |
| C13 | C11 | C14 | H22 | 179.1° | 175.7° |
| C13 | C11 | C12 | H23 | 79.4° | 60.0° |
| C13 | C11 | C12 | H24 | 160.9° | 180.0° |
| C13 | C11 | C10 | H34 | 67.4° | 174.0° |
| N1A | C2A | N3A | H3 | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 0.1° | 0.0° |
| C12 | O6A | P2A | O4A | 53.0° | 55.0° |
| C12 | O6A | P2A | O3A | 61.1° | 175.0° |
| C12 | O6A | P2A | O5A | 176.3° | 65.1° |
| O6A | C12 | H23 | H24 | 119.5° | 120.0° |
| C5A | N7A | C8A | N9A | 0.4° | 0.7° |
| N7A | C5A | C4A | N3A | 179.5° | 179.7° |
| N7A | C5A | C4A | N9A | 1.4° | 0.1° |
| C5A | N7A | C8A | H4 | 179.6° | 180.0° |
| C8A | N7A | C5A | C4A | 0.6° | 0.5° |
| N7A | C8A | N9A | H4 | 180.0° | 179.3° |
| N7A | C8A | N9A | C4A | 1.3° | 0.6° |
| N7A | C8A | N9A | C1X | 176.4° | 179.4° |
| C5A | C4A | N3A | C2A | 0.9° | 0.3° |
| C5A | C4A | N9A | C8A | 1.6° | 0.3° |
| C5A | C4A | N3A | N9A | 177.5° | 179.7° |
| C5A | C4A | N9A | C1X | 176.9° | 179.8° |
| C2A | N3A | C4A | N9A | 178.4° | 180.0° |
| C8A | N9A | C4A | N3A | 179.3° | 180.0° |
| C8A | N9A | C4A | C1X | 175.3° | 180.0° |
| C8A | N9A | C1X | O4X | 57.3° | 23.5° |
| C8A | N9A | C1X | C2X | 62.1° | 91.9° |
| C8A | N9A | C1X | H27 | 179.2° | 145.7° |
| O6A | P2A | O4A | O3A | 107.9° | 120.0° |
| O6A | P2A | O4A | O5A | 122.5° | 120.1° |
| O6A | P2A | O3A | O5A | 110.2° | 120.0° |
| O6A | P2A | O3A | P1A | 173.6° | 160.0° |
| P2A | O6A | C12 | H23 | 87.1° | 60.0° |
| P2A | O6A | C12 | H24 | 32.6° | 60.0° |
| O6A | P2A | O5A | H33 | 125.2° | 59.9° |
| N3A | C4A | N9A | C1X | 5.4° | 0.0° |
| C4A | N3A | C2A | H3 | 179.9° | 180.0° |
| C4A | N9A | C1X | O4X | 128.2° | 156.4° |
| C4A | N9A | C1X | C2X | 112.4° | 88.2° |
| C4A | N9A | C8A | H4 | 178.6° | 179.9° |
| C4A | N9A | C1X | H27 | 4.7° | 34.2° |
| O4A | P2A | O3A | O5A | 134.2° | 120.0° |
| O4A | P2A | O3A | P1A | 70.8° | 40.0° |
| O4A | P2A | O5A | H33 | 0.0° | 180.0° |
| O2A | P1A | O3A | P2A | 158.5° | 45.0° |
| O2A | P1A | O3A | O1A | 132.0° | 120.0° |
| O2A | P1A | O3A | O5X | 110.8° | 120.0° |
| O2A | P1A | O1A | O5X | 122.5° | 120.0° |
| O2A | P1A | O5X | C5X | 62.5° | 55.0° |
| O2A | P1A | O1A | H25 | 0.0° | 179.9° |
| P2A | O3A | P1A | O1A | 26.5° | 75.0° |
| P2A | O3A | P1A | O5X | 90.7° | 165.0° |
| O3A | P2A | O5A | H33 | 128.4° | 60.1° |
| P1A | O3A | P2A | O5A | 63.4° | 80.0° |
| O3A | P1A | O1A | O5X | 110.7° | 120.0° |
| O3A | P1A | O5X | C5X | 174.0° | 175.0° |
| O3A | P1A | O1A | H25 | 126.8° | 59.9° |
| N9A | C1X | O4X | C2X | 119.8° | 118.8° |
| N9A | C1X | O4X | H27 | 123.1° | 122.2° |
| N9A | C1X | C2X | H27 | 117.6° | 122.3° |
| N9A | C1X | O4X | C4X | 140.7° | 159.3° |
| N9A | C1X | C2X | O2X | 80.4° | 98.5° |
| N9A | C1X | C2X | C3X | 158.2° | 142.8° |
| C1X | N9A | C8A | H4 | 3.6° | 0.2° |
| N9A | C1X | C2X | H28 | 43.0° | 24.1° |
| O1A | P1A | O5X | C5X | 66.3° | 65.0° |
| P1A | O5X | C5X | C4X | 147.3° | 180.0° |
| O5X | P1A | O1A | H25 | 122.5° | 60.1° |
| P1A | O5X | C5X | H31 | 92.6° | 60.0° |
| P1A | O5X | C5X | H32 | 27.3° | 60.0° |
| O4X | C1X | C2X | H27 | 118.1° | 118.8° |
| O4X | C1X | C2X | O2X | 155.3° | 142.6° |
| O4X | C1X | C2X | C3X | 33.9° | 24.0° |
| C1X | O4X | C4X | C5X | 120.8° | 159.4° |
| C1X | O4X | C4X | C3X | 0.8° | 40.5° |
| C1X | O4X | C4X | H26 | 119.8° | 78.3° |
| O4X | C1X | C2X | H28 | 81.3° | 94.8° |
| C2X | C1X | O4X | C4X | 20.9° | 40.5° |
| C1X | C2X | O2X | C3X | 114.3° | 114.7° |
| C1X | C2X | O2X | H28 | 122.7° | 122.6° |
| C1X | C2X | C3X | H28 | 115.0° | 118.7° |
| C1X | C2X | C3X | C4X | 32.7° | 0.0° |
| C1X | C2X | C3X | O3X | 83.4° | 118.6° |
| C1X | C2X | O2X | H29 | 180.0° | 179.9° |
| C1X | C2X | C3X | H30 | 151.2° | 118.6° |
| O5X | C5X | C4X | O4X | 76.9° | 69.5° |
| O5X | C5X | C4X | H31 | 120.1° | 120.0° |
| O5X | C5X | C4X | H32 | 120.1° | 120.0° |
| O5X | C5X | C4X | C3X | 41.6° | 175.0° |
| O5X | C5X | C4X | H26 | 163.0° | 52.8° |
| O5X | C5X | H31 | H32 | 119.8° | 120.0° |
| O4X | C4X | C3X | C2X | 22.1° | 23.9° |
| O4X | C4X | C5X | C3X | 118.5° | 115.5° |
| O4X | C4X | C5X | H26 | 120.1° | 122.3° |
| O4X | C4X | C3X | H26 | 119.9° | 118.8° |
| O4X | C4X | C3X | O3X | 95.8° | 142.6° |
| C4X | O4X | C1X | H27 | 96.2° | 78.5° |
| O4X | C4X | C3X | H30 | 140.8° | 94.6° |
| O4X | C4X | C5X | H31 | 163.0° | 50.4° |
| O4X | C4X | C5X | H32 | 43.1° | 170.5° |
| O2X | C2X | C3X | H28 | 123.6° | 122.6° |
| O2X | C2X | C3X | C4X | 154.2° | 118.7° |
| O2X | C2X | C3X | O3X | 38.0° | 0.0° |
| O2X | C2X | C1X | H27 | 37.2° | 23.8° |
| O2X | C2X | C3X | H30 | 87.4° | 122.7° |
| C2X | C3X | C4X | C5X | 96.5° | 142.9° |
| C2X | C3X | C4X | O3X | 117.9° | 118.6° |
| C2X | C3X | C4X | H30 | 118.7° | 118.6° |
| C2X | C3X | O3X | H30 | 124.7° | 122.7° |
| C2X | C3X | O3X | H10 | 180.0° | 65.4° |
| C2X | C3X | C4X | H26 | 142.0° | 94.8° |
| C3X | C2X | C1X | H27 | 84.2° | 94.9° |
| C3X | C2X | O2X | H29 | 65.7° | 65.3° |
| C5X | C4X | C3X | H26 | 121.5° | 122.2° |
| C5X | C4X | C3X | O3X | 145.6° | 98.5° |
| C5X | C4X | C3X | H30 | 22.2° | 24.3° |
| C4X | C5X | H31 | H32 | 119.9° | 120.0° |
| C4X | C3X | O3X | H30 | 122.4° | 122.7° |
| C4X | C3X | O3X | H10 | 67.1° | 180.0° |
| C4X | C3X | C2X | H28 | 82.2° | 118.7° |
| C3X | C4X | C5X | H31 | 78.5° | 65.0° |
| C3X | C4X | C5X | H32 | 161.6° | 55.0° |
| O3X | C3X | C4X | H26 | 24.1° | 23.8° |
| O3X | C3X | C2X | H28 | 161.6° | 122.6° |
| H5 | C1M | H6 | H7 | 120.0° | 120.0° |
| H5 | C1M | CP | H8 | 58.8° | 60.0° |
| H5 | C1M | CP | H9 | 58.9° | 180.0° |
| H6 | C1M | CP | H8 | 61.2° | 180.0° |
| H6 | C1M | CP | H9 | 178.9° | 60.0° |
| H7 | C1M | CP | H8 | 178.8° | 60.0° |
| H7 | C1M | CP | H9 | 61.1° | 59.9° |
| H10 | O3X | C3X | H30 | 55.3° | 57.2° |
| H11 | N4 | C3 | H36 | 38.9° | 120.0° |
| H11 | N4 | C3 | H37 | 157.4° | 119.9° |
| H12 | C6 | C7 | H14 | 50.1° | 180.0° |
| H12 | C6 | C7 | H15 | 68.3° | 59.9° |
| H13 | C6 | C7 | H14 | 169.4° | 60.0° |
| H13 | C6 | C7 | H15 | 51.0° | 180.0° |
| H14 | C7 | N8 | H16 | 34.6° | 120.1° |
| H15 | C7 | N8 | H16 | 153.0° | 120.0° |
| H17 | C13 | H18 | H19 | 120.0° | 120.0° |
| H20 | C14 | H21 | H22 | 120.0° | 120.0° |
| H26 | C4X | C3X | H30 | 99.3° | 146.6° |
| H26 | C4X | C5X | H31 | 42.9° | 172.7° |
| H26 | C4X | C5X | H32 | 77.0° | 67.2° |
| H27 | C1X | C2X | H28 | 160.6° | 146.4° |
| H28 | C2X | O2X | H29 | 57.4° | 57.4° |
| H28 | C2X | C3X | H30 | 36.2° | 0.1° |
| H34 | C10 | O10 | H35 | 61.6° | 180.0° |
| H36 | C3 | C2 | H38 | 152.4° | 60.0° |
| H36 | C3 | C2 | H39 | 87.1° | 180.0° |
| H37 | C3 | C2 | H38 | 33.9° | 180.0° |
| H37 | C3 | C2 | H39 | 154.4° | 59.9° |
