9MQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | N3 | sing | 1.46Å | 1.42Å | |
| C1 | C4 | sing | 1.53Å | 1.56Å | |
| C2 | N5 | sing | 1.35Å | 1.40Å | |
| C2 | O6 | doub | 1.21Å | 1.25Å | |
| N3 | S7 | sing | 1.66Å | 1.64Å | |
| C4 | C8 | sing | 1.51Å | 1.51Å | |
| N5 | C9 | sing | 1.47Å | 1.50Å | |
| N5 | C10 | sing | 1.47Å | 1.47Å | |
| S7 | C11 | sing | 1.76Å | 1.67Å | |
| S7 | O12 | doub | 1.42Å | 1.45Å | |
| S7 | O13 | doub | 1.42Å | 1.41Å | |
| C8 | N14 | sing | 1.35Å | 1.41Å | |
| C8 | O15 | doub | 1.21Å | 1.25Å | |
| C9 | C16 | sing | 1.51Å | 1.49Å | |
| C10 | C17 | sing | 1.51Å | 1.52Å | |
| C11 | C18 | sing | 1.36Å | 1.39Å | Aromatic |
| C11 | C19 | doub | 1.39Å | 1.44Å | Aromatic |
| N14 | C20 | sing | 1.47Å | 1.49Å | |
| C16 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | O23 | sing | 1.34Å | 1.33Å | |
| C17 | O24 | doub | 1.21Å | 1.22Å | |
| C18 | C25 | doub | 1.41Å | 1.43Å | Aromatic |
| C19 | C26 | sing | 1.36Å | 1.36Å | Aromatic |
| C20 | C27 | sing | 1.53Å | 1.55Å | |
| C21 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C30 | sing | 1.42Å | 1.44Å | Aromatic |
| C25 | C31 | sing | 1.41Å | 1.43Å | Aromatic |
| C26 | C30 | doub | 1.40Å | 1.42Å | Aromatic |
| C27 | C32 | sing | 1.53Å | 1.54Å | |
| C27 | C33 | sing | 1.53Å | 1.56Å | |
| C28 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C35 | sing | 1.41Å | 1.42Å | Aromatic |
| C31 | C36 | doub | 1.36Å | 1.39Å | Aromatic |
| C32 | N37 | sing | 1.47Å | 1.51Å | |
| C33 | C38 | sing | 1.53Å | 1.52Å | |
| C35 | C39 | doub | 1.36Å | 1.37Å | Aromatic |
| C36 | C39 | sing | 1.39Å | 1.44Å | Aromatic |
| N37 | C40 | sing | 1.47Å | 1.52Å | |
| N37 | C41 | sing | 1.38Å | 1.39Å | |
| C38 | C40 | sing | 1.53Å | 1.56Å | |
| C41 | N42 | doub | 1.30Å | 1.32Å | |
| C41 | N43 | sing | 1.37Å | 1.31Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| N42 | H42 | sing | 0.97Å | 1.00Å | |
| N43 | H431 | sing | 0.97Å | 1.00Å | |
| N43 | H432 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N3 | 107.0° | 109.5° |
| C2 | C1 | C4 | 107.9° | 109.5° |
| C1 | C2 | N5 | 118.2° | 120.0° |
| C1 | C2 | O6 | 120.5° | 120.0° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| N3 | C1 | C4 | 112.4° | 109.5° |
| C1 | N3 | S7 | 122.4° | 120.0° |
| N3 | C1 | H1 | 111.0° | 109.4° |
| C1 | N3 | H3 | 106.1° | 120.0° |
| C1 | C4 | C8 | 116.6° | 109.5° |
| C4 | C1 | H1 | 109.1° | 109.5° |
| C1 | C4 | H41C | 107.7° | 109.4° |
| C1 | C4 | H42C | 107.7° | 109.4° |
| N5 | C2 | O6 | 121.3° | 120.0° |
| C2 | N5 | C9 | 121.8° | 120.0° |
| C2 | N5 | C10 | 121.5° | 120.0° |
| N3 | S7 | C11 | 104.9° | 107.3° |
| N3 | S7 | O12 | 102.6° | 106.4° |
| N3 | S7 | O13 | 108.0° | 106.4° |
| S7 | N3 | H3 | 106.2° | 120.0° |
| C4 | C8 | N14 | 116.4° | 120.0° |
| C4 | C8 | O15 | 122.6° | 120.0° |
| C8 | C4 | H41C | 107.6° | 109.5° |
| C8 | C4 | H42C | 107.6° | 109.5° |
| C9 | N5 | C10 | 116.4° | 120.0° |
| N5 | C9 | C16 | 109.3° | 109.5° |
| N5 | C9 | H91C | 109.5° | 109.5° |
| N5 | C9 | H92C | 109.5° | 109.5° |
| N5 | C10 | C17 | 107.3° | 109.5° |
| N5 | C10 | H101 | 110.0° | 109.5° |
| N5 | C10 | H102 | 110.0° | 109.5° |
| C11 | S7 | O12 | 111.5° | 106.4° |
| C11 | S7 | O13 | 103.7° | 106.4° |
| S7 | C11 | C18 | 122.5° | 119.5° |
| S7 | C11 | C19 | 118.2° | 119.5° |
| O12 | S7 | O13 | 124.5° | 123.1° |
| N14 | C8 | O15 | 121.0° | 120.1° |
| C8 | N14 | C20 | 118.4° | 120.0° |
| C8 | N14 | H14 | 120.8° | 120.1° |
| C9 | C16 | C21 | 120.0° | 120.0° |
| C9 | C16 | C22 | 119.0° | 120.0° |
| C16 | C9 | H91C | 109.5° | 109.5° |
| C16 | C9 | H92C | 109.5° | 109.4° |
| C10 | C17 | O23 | 112.6° | 120.0° |
| C10 | C17 | O24 | 128.5° | 120.0° |
| C17 | C10 | H101 | 110.0° | 109.5° |
| C17 | C10 | H102 | 110.0° | 109.5° |
| C18 | C11 | C19 | 119.3° | 121.0° |
| C11 | C18 | C25 | 119.5° | 119.7° |
| C11 | C18 | H18 | 120.2° | 120.2° |
| C11 | C19 | C26 | 122.2° | 120.9° |
| C11 | C19 | H19 | 118.9° | 119.5° |
| N14 | C20 | C27 | 118.0° | 109.5° |
| C20 | N14 | H14 | 120.8° | 120.0° |
| N14 | C20 | H201 | 107.3° | 109.5° |
| N14 | C20 | H202 | 107.3° | 109.5° |
| C21 | C16 | C22 | 121.0° | 120.0° |
| C16 | C21 | C28 | 120.4° | 120.0° |
| C16 | C21 | H21 | 119.8° | 120.0° |
| C16 | C22 | C29 | 118.8° | 120.0° |
| C16 | C22 | H22 | 120.6° | 120.0° |
| O23 | C17 | O24 | 118.9° | 120.0° |
| C17 | O23 | H23 | 109.5° | 117.0° |
| C18 | C25 | C30 | 119.6° | 119.3° |
| C18 | C25 | C31 | 121.6° | 121.3° |
| C25 | C18 | H18 | 120.2° | 120.2° |
| C19 | C26 | C30 | 119.9° | 119.7° |
| C26 | C19 | H19 | 118.9° | 119.6° |
| C19 | C26 | H26 | 120.0° | 120.1° |
| C20 | C27 | C32 | 112.8° | 109.5° |
| C20 | C27 | C33 | 110.4° | 109.5° |
| C27 | C20 | H201 | 107.3° | 109.4° |
| C27 | C20 | H202 | 107.3° | 109.5° |
| C20 | C27 | H27 | 107.9° | 109.6° |
| C21 | C28 | C34 | 118.9° | 120.0° |
| C28 | C21 | H21 | 119.8° | 120.0° |
| C21 | C28 | H28 | 120.5° | 120.0° |
| C22 | C29 | C34 | 121.1° | 120.0° |
| C29 | C22 | H22 | 120.6° | 120.0° |
| C22 | C29 | H29 | 119.5° | 120.0° |
| C30 | C25 | C31 | 118.7° | 119.4° |
| C25 | C30 | C26 | 119.3° | 119.3° |
| C25 | C30 | C35 | 120.9° | 119.4° |
| C25 | C31 | C36 | 119.4° | 119.6° |
| C25 | C31 | H31 | 120.3° | 120.2° |
| C26 | C30 | C35 | 119.8° | 121.3° |
| C30 | C26 | H26 | 120.0° | 120.2° |
| C32 | C27 | C33 | 110.0° | 109.3° |
| C27 | C32 | N37 | 105.1° | 108.8° |
| C32 | C27 | H27 | 107.9° | 109.5° |
| C27 | C32 | H321 | 110.6° | 109.6° |
| C27 | C32 | H322 | 110.6° | 109.6° |
| C27 | C33 | C38 | 109.4° | 109.5° |
| C33 | C27 | H27 | 107.7° | 109.5° |
| C27 | C33 | H331 | 109.5° | 109.5° |
| C27 | C33 | H332 | 109.5° | 109.5° |
| C28 | C34 | C29 | 119.8° | 120.0° |
| C34 | C28 | H28 | 120.6° | 120.0° |
| C28 | C34 | H34 | 120.1° | 120.0° |
| C34 | C29 | H29 | 119.4° | 120.0° |
| C29 | C34 | H34 | 120.1° | 120.0° |
| C30 | C35 | C39 | 118.7° | 119.6° |
| C30 | C35 | H35 | 120.6° | 120.2° |
| C31 | C36 | C39 | 120.8° | 121.1° |
| C36 | C31 | H31 | 120.3° | 120.2° |
| C31 | C36 | H36 | 119.6° | 119.4° |
| C32 | N37 | C40 | 117.1° | 118.8° |
| C32 | N37 | C41 | 117.9° | 120.6° |
| N37 | C32 | H321 | 110.5° | 109.5° |
| N37 | C32 | H322 | 110.6° | 109.6° |
| C33 | C38 | C40 | 109.7° | 109.4° |
| C38 | C33 | H331 | 109.5° | 109.4° |
| C38 | C33 | H332 | 109.5° | 109.5° |
| C33 | C38 | H381 | 109.4° | 109.5° |
| C33 | C38 | H382 | 109.4° | 109.5° |
| C35 | C39 | C36 | 121.5° | 121.0° |
| C39 | C35 | H35 | 120.6° | 120.2° |
| C35 | C39 | H39 | 119.3° | 119.5° |
| C39 | C36 | H36 | 119.6° | 119.5° |
| C36 | C39 | H39 | 119.2° | 119.5° |
| C40 | N37 | C41 | 119.7° | 120.6° |
| N37 | C40 | C38 | 108.2° | 108.8° |
| N37 | C40 | H401 | 109.8° | 109.6° |
| N37 | C40 | H402 | 109.8° | 109.6° |
| N37 | C41 | N42 | 115.1° | 120.0° |
| N37 | C41 | N43 | 120.0° | 120.0° |
| C40 | C38 | H381 | 109.4° | 109.5° |
| C40 | C38 | H382 | 109.4° | 109.5° |
| C38 | C40 | H401 | 109.8° | 109.6° |
| C38 | C40 | H402 | 109.8° | 109.5° |
| N42 | C41 | N43 | 124.9° | 120.0° |
| C41 | N42 | H42 | 112.0° | 120.0° |
| C41 | N43 | H431 | 120.0° | 120.0° |
| C41 | N43 | H432 | 120.0° | 120.0° |
| H41C | C4 | H42C | 109.5° | 109.4° |
| H91C | C9 | H92C | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.7° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.7° |
| H431 | N43 | H432 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N3 | C4 | 118.3° | 120.0° |
| C2 | C1 | N3 | H1 | 119.2° | 120.0° |
| C2 | C1 | C4 | H1 | 118.7° | 120.0° |
| C1 | C2 | N5 | O6 | 180.0° | 180.0° |
| C2 | C1 | N3 | S7 | 126.0° | 112.5° |
| C2 | C1 | C4 | C8 | 62.9° | 175.0° |
| C1 | C2 | N5 | C9 | 4.7° | 175.8° |
| C1 | C2 | N5 | C10 | 169.1° | 4.1° |
| C2 | C1 | N3 | H3 | 4.2° | 67.4° |
| C2 | C1 | C4 | H41C | 58.2° | 65.0° |
| C2 | C1 | C4 | H42C | 176.1° | 55.0° |
| N3 | C1 | C4 | H1 | 123.6° | 120.0° |
| N3 | C1 | C2 | N5 | 159.1° | 153.5° |
| N3 | C1 | C2 | O6 | 21.0° | 26.5° |
| C1 | N3 | S7 | H3 | 121.8° | 179.9° |
| N3 | C1 | C4 | C8 | 54.9° | 65.0° |
| C1 | N3 | S7 | C11 | 73.2° | 67.2° |
| C1 | N3 | S7 | O12 | 170.2° | 46.3° |
| C1 | N3 | S7 | O13 | 37.0° | 179.2° |
| N3 | C1 | C4 | H41C | 175.9° | 55.1° |
| N3 | C1 | C4 | H42C | 66.1° | 175.0° |
| C4 | C1 | C2 | N5 | 79.8° | 86.5° |
| C4 | C1 | C2 | O6 | 100.2° | 93.5° |
| C4 | C1 | N3 | S7 | 115.7° | 127.5° |
| C1 | C4 | C8 | H41C | 121.0° | 120.0° |
| C1 | C4 | C8 | H42C | 121.0° | 120.0° |
| C1 | C4 | C8 | N14 | 97.9° | 180.0° |
| C1 | C4 | C8 | O15 | 81.9° | 0.0° |
| C4 | C1 | N3 | H3 | 122.5° | 52.6° |
| C1 | C4 | H41C | H42C | 116.8° | 119.9° |
| C2 | N5 | C9 | C10 | 174.1° | 180.0° |
| C2 | N5 | C9 | C16 | 127.8° | 95.2° |
| C2 | N5 | C10 | C17 | 96.5° | 90.0° |
| N5 | C2 | C1 | H1 | 38.8° | 33.6° |
| C2 | N5 | C9 | H91C | 7.9° | 144.8° |
| C2 | N5 | C9 | H92C | 112.2° | 24.8° |
| C2 | N5 | C10 | H101 | 23.2° | 150.0° |
| C2 | N5 | C10 | H102 | 143.9° | 30.0° |
| O6 | C2 | N5 | C9 | 175.3° | 4.2° |
| O6 | C2 | N5 | C10 | 10.9° | 175.8° |
| O6 | C2 | C1 | H1 | 141.2° | 146.5° |
| N3 | S7 | C11 | O12 | 110.4° | 113.5° |
| N3 | S7 | C11 | O13 | 113.3° | 113.6° |
| N3 | S7 | O12 | O13 | 122.6° | 122.9° |
| N3 | S7 | C11 | C18 | 101.7° | 94.2° |
| N3 | S7 | C11 | C19 | 78.7° | 85.8° |
| S7 | N3 | C1 | H1 | 6.8° | 7.5° |
| C4 | C8 | N14 | O15 | 179.8° | 180.0° |
| C4 | C8 | N14 | C20 | 178.4° | 180.0° |
| C8 | C4 | C1 | H1 | 178.5° | 55.0° |
| C8 | C4 | H41C | H42C | 116.7° | 120.0° |
| C4 | C8 | N14 | H14 | 1.6° | 0.0° |
| N5 | C9 | C16 | H91C | 120.0° | 120.0° |
| N5 | C9 | C16 | H92C | 120.0° | 120.0° |
| C9 | N5 | C10 | C17 | 77.6° | 90.0° |
| N5 | C9 | C16 | C21 | 56.4° | 89.2° |
| N5 | C9 | C16 | C22 | 122.4° | 91.1° |
| N5 | C9 | H91C | H92C | 120.1° | 120.0° |
| C9 | N5 | C10 | H101 | 162.7° | 30.0° |
| C9 | N5 | C10 | H102 | 42.0° | 150.0° |
| C10 | N5 | C9 | C16 | 58.1° | 84.8° |
| N5 | C10 | C17 | H101 | 119.7° | 120.0° |
| N5 | C10 | C17 | H102 | 119.6° | 120.0° |
| N5 | C10 | C17 | O23 | 154.8° | 180.0° |
| N5 | C10 | C17 | O24 | 23.9° | 0.0° |
| C10 | N5 | C9 | H91C | 178.0° | 35.3° |
| C10 | N5 | C9 | H92C | 61.9° | 155.2° |
| N5 | C10 | H101 | H102 | 121.0° | 120.0° |
| C11 | S7 | O12 | O13 | 125.5° | 123.0° |
| S7 | C11 | C18 | C19 | 179.5° | 180.0° |
| S7 | C11 | C18 | C25 | 178.8° | 180.0° |
| S7 | C11 | C19 | C26 | 179.4° | 180.0° |
| C11 | S7 | N3 | H3 | 48.6° | 112.7° |
| S7 | C11 | C18 | H18 | 1.2° | 0.3° |
| S7 | C11 | C19 | H19 | 0.6° | 0.0° |
| O12 | S7 | C11 | C18 | 147.9° | 152.3° |
| O12 | S7 | C11 | C19 | 31.6° | 27.7° |
| O12 | S7 | N3 | H3 | 68.1° | 133.8° |
| O13 | S7 | C11 | C18 | 11.5° | 19.4° |
| O13 | S7 | C11 | C19 | 168.0° | 160.6° |
| O13 | S7 | N3 | H3 | 158.8° | 0.9° |
| C8 | N14 | C20 | H14 | 180.0° | 179.9° |
| C8 | N14 | C20 | C27 | 113.0° | 179.9° |
| N14 | C8 | C4 | H41C | 23.2° | 60.0° |
| N14 | C8 | C4 | H42C | 141.1° | 60.0° |
| C8 | N14 | C20 | H201 | 125.7° | 60.0° |
| C8 | N14 | C20 | H202 | 8.2° | 60.1° |
| O15 | C8 | N14 | C20 | 1.8° | 0.0° |
| O15 | C8 | C4 | H41C | 157.1° | 120.0° |
| O15 | C8 | C4 | H42C | 39.1° | 120.0° |
| O15 | C8 | N14 | H14 | 178.2° | 179.9° |
| C9 | C16 | C21 | C22 | 178.7° | 179.7° |
| C9 | C16 | C21 | C28 | 178.4° | 180.0° |
| C9 | C16 | C22 | C29 | 178.5° | 180.0° |
| C16 | C9 | H91C | H92C | 120.1° | 120.0° |
| C9 | C16 | C21 | H21 | 1.6° | 0.0° |
| C9 | C16 | C22 | H22 | 1.5° | 0.0° |
| C10 | C17 | O23 | O24 | 178.9° | 180.0° |
| C17 | C10 | H101 | H102 | 121.0° | 120.0° |
| C10 | C17 | O23 | H23 | 178.9° | 180.0° |
| C11 | C18 | C25 | H18 | 180.0° | 179.7° |
| C18 | C11 | C19 | C26 | 0.1° | 0.0° |
| C11 | C18 | C25 | C30 | 0.8° | 0.1° |
| C11 | C18 | C25 | C31 | 178.8° | 179.8° |
| C18 | C11 | C19 | H19 | 179.9° | 180.0° |
| C19 | C11 | C18 | C25 | 0.7° | 0.0° |
| C11 | C19 | C26 | H19 | 180.0° | 180.0° |
| C11 | C19 | C26 | C30 | 0.4° | 0.1° |
| C19 | C11 | C18 | H18 | 179.3° | 179.7° |
| C11 | C19 | C26 | H26 | 179.6° | 180.0° |
| N14 | C20 | C27 | H201 | 121.2° | 120.0° |
| N14 | C20 | C27 | H202 | 121.2° | 120.0° |
| N14 | C20 | C27 | C32 | 64.1° | 65.0° |
| N14 | C20 | C27 | C33 | 59.4° | 175.2° |
| N14 | C20 | H201 | H202 | 116.1° | 120.0° |
| N14 | C20 | C27 | H27 | 176.8° | 55.0° |
| C16 | C21 | C28 | H21 | 180.0° | 180.0° |
| C21 | C16 | C22 | C29 | 0.2° | 0.3° |
| C16 | C21 | C28 | C34 | 0.1° | 0.0° |
| C21 | C16 | C9 | H91C | 63.6° | 30.9° |
| C21 | C16 | C9 | H92C | 176.4° | 150.8° |
| C21 | C16 | C22 | H22 | 179.8° | 179.7° |
| C16 | C21 | C28 | H28 | 179.8° | 180.0° |
| C22 | C16 | C21 | C28 | 0.3° | 0.3° |
| C16 | C22 | C29 | H22 | 180.0° | 180.0° |
| C16 | C22 | C29 | C34 | 0.1° | 0.1° |
| C22 | C16 | C9 | H91C | 117.7° | 148.9° |
| C22 | C16 | C9 | H92C | 2.4° | 28.9° |
| C22 | C16 | C21 | H21 | 179.7° | 179.8° |
| C16 | C22 | C29 | H29 | 179.9° | 179.9° |
| O23 | C17 | C10 | H101 | 85.5° | 60.0° |
| O23 | C17 | C10 | H102 | 35.2° | 60.0° |
| O24 | C17 | C10 | H101 | 95.8° | 120.0° |
| O24 | C17 | C10 | H102 | 143.6° | 120.0° |
| O24 | C17 | O23 | H23 | 0.0° | 0.0° |
| C18 | C25 | C30 | C31 | 179.6° | 179.9° |
| C18 | C25 | C30 | C26 | 0.3° | 0.1° |
| C18 | C25 | C30 | C35 | 179.7° | 180.0° |
| C18 | C25 | C31 | C36 | 179.6° | 179.8° |
| C18 | C25 | C31 | H31 | 0.4° | 0.2° |
| C19 | C26 | C30 | C25 | 0.3° | 0.1° |
| C19 | C26 | C30 | H26 | 180.0° | 180.0° |
| C19 | C26 | C30 | C35 | 179.2° | 180.0° |
| C20 | C27 | C32 | C33 | 123.7° | 119.9° |
| C20 | C27 | C32 | H27 | 119.1° | 120.1° |
| C20 | C27 | C33 | H27 | 117.6° | 120.2° |
| C20 | C27 | C32 | N37 | 176.8° | 174.6° |
| C20 | C27 | C33 | C38 | 171.1° | 178.7° |
| C27 | C20 | N14 | H14 | 66.9° | 0.0° |
| C27 | C20 | H201 | H202 | 116.1° | 120.0° |
| C20 | C27 | C32 | H321 | 57.5° | 65.7° |
| C20 | C27 | C32 | H322 | 63.9° | 54.8° |
| C20 | C27 | C33 | H331 | 68.9° | 61.3° |
| C20 | C27 | C33 | H332 | 51.1° | 58.7° |
| C21 | C28 | C34 | H28 | 180.0° | 180.0° |
| C21 | C28 | C34 | C29 | 0.2° | 0.2° |
| C21 | C28 | C34 | H34 | 179.8° | 179.9° |
| C22 | C29 | C34 | C28 | 0.3° | 0.2° |
| C22 | C29 | C34 | H29 | 180.0° | 179.9° |
| C22 | C29 | C34 | H34 | 179.7° | 180.0° |
| C25 | C30 | C26 | C35 | 179.5° | 179.9° |
| C30 | C25 | C31 | C36 | 0.0° | 0.4° |
| C25 | C30 | C35 | C39 | 0.1° | 0.1° |
| C30 | C25 | C18 | H18 | 179.2° | 179.8° |
| C25 | C30 | C26 | H26 | 179.7° | 180.0° |
| C30 | C25 | C31 | H31 | 180.0° | 179.9° |
| C25 | C30 | C35 | H35 | 179.9° | 179.9° |
| C31 | C25 | C30 | C26 | 179.3° | 179.8° |
| C31 | C25 | C30 | C35 | 0.1° | 0.1° |
| C25 | C31 | C36 | H31 | 180.0° | 179.6° |
| C25 | C31 | C36 | C39 | 0.2° | 0.5° |
| C31 | C25 | C18 | H18 | 1.2° | 0.1° |
| C25 | C31 | C36 | H36 | 179.8° | 179.7° |
| C26 | C30 | C35 | C39 | 179.3° | 179.9° |
| C30 | C26 | C19 | H19 | 179.6° | 180.0° |
| C26 | C30 | C35 | H35 | 0.6° | 0.0° |
| C32 | C27 | C33 | H27 | 117.4° | 119.9° |
| C27 | C32 | N37 | H321 | 119.3° | 119.8° |
| C27 | C32 | N37 | H322 | 119.3° | 119.8° |
| C32 | C27 | C33 | C38 | 63.9° | 61.4° |
| C27 | C32 | N37 | C40 | 59.0° | 53.6° |
| C27 | C32 | N37 | C41 | 95.2° | 126.4° |
| C32 | C27 | C20 | H201 | 174.7° | 175.0° |
| C32 | C27 | C20 | H202 | 57.1° | 55.0° |
| C27 | C32 | H321 | H322 | 122.0° | 120.4° |
| C32 | C27 | C33 | H331 | 56.1° | 58.6° |
| C32 | C27 | C33 | H332 | 176.1° | 178.6° |
| C33 | C27 | C32 | N37 | 59.6° | 54.6° |
| C27 | C33 | C38 | H331 | 120.0° | 120.0° |
| C27 | C33 | C38 | H332 | 119.9° | 120.0° |
| C27 | C33 | C38 | C40 | 59.7° | 61.4° |
| C33 | C27 | C20 | H201 | 61.9° | 55.2° |
| C33 | C27 | C20 | H202 | 179.4° | 64.8° |
| C33 | C27 | C32 | H321 | 178.9° | 174.4° |
| C33 | C27 | C32 | H322 | 59.7° | 65.2° |
| C27 | C33 | H331 | H332 | 120.0° | 120.0° |
| C27 | C33 | C38 | H381 | 179.7° | 178.7° |
| C27 | C33 | C38 | H382 | 60.3° | 58.6° |
| C28 | C34 | C29 | H34 | 180.0° | 179.8° |
| C34 | C28 | C21 | H21 | 179.9° | 180.0° |
| C28 | C34 | C29 | H29 | 179.7° | 179.7° |
| C34 | C29 | C22 | H22 | 179.9° | 179.9° |
| C29 | C34 | C28 | H28 | 179.9° | 179.8° |
| C30 | C35 | C39 | H35 | 180.0° | 180.0° |
| C30 | C35 | C39 | C36 | 0.0° | 0.0° |
| C35 | C30 | C26 | H26 | 0.8° | 0.1° |
| C30 | C35 | C39 | H39 | 180.0° | 180.0° |
| C31 | C36 | C39 | C35 | 0.2° | 0.3° |
| C31 | C36 | C39 | H36 | 180.0° | 179.8° |
| C31 | C36 | C39 | H39 | 179.8° | 179.8° |
| C32 | N37 | C40 | C41 | 153.7° | 180.0° |
| C32 | N37 | C40 | C38 | 56.9° | 53.6° |
| C32 | N37 | C41 | N42 | 174.7° | 6.0° |
| C32 | N37 | C41 | N43 | 4.7° | 174.1° |
| N37 | C32 | C27 | H27 | 57.7° | 65.3° |
| N37 | C32 | H321 | H322 | 122.0° | 120.4° |
| C32 | N37 | C40 | H401 | 176.7° | 173.4° |
| C32 | N37 | C40 | H402 | 62.9° | 66.2° |
| C33 | C38 | C40 | N37 | 54.2° | 54.6° |
| C33 | C38 | C40 | H381 | 120.1° | 120.0° |
| C33 | C38 | C40 | H382 | 120.0° | 120.0° |
| C38 | C33 | C27 | H27 | 53.5° | 58.6° |
| C38 | C33 | H331 | H332 | 120.1° | 120.0° |
| C33 | C38 | H381 | H382 | 119.9° | 120.1° |
| C33 | C38 | C40 | H401 | 174.0° | 174.4° |
| C33 | C38 | C40 | H402 | 65.6° | 65.2° |
| C35 | C39 | C36 | H39 | 180.0° | 180.0° |
| C35 | C39 | C36 | H36 | 179.8° | 179.9° |
| C39 | C36 | C31 | H31 | 179.8° | 180.0° |
| C36 | C39 | C35 | H35 | 179.9° | 180.0° |
| N37 | C40 | C38 | H401 | 119.8° | 119.8° |
| N37 | C40 | C38 | H402 | 119.8° | 119.7° |
| C40 | N37 | C41 | N42 | 21.2° | 174.0° |
| C40 | N37 | C41 | N43 | 158.3° | 5.9° |
| C40 | N37 | C32 | H321 | 178.3° | 173.4° |
| C40 | N37 | C32 | H322 | 60.3° | 66.2° |
| N37 | C40 | C38 | H381 | 174.2° | 174.6° |
| N37 | C40 | C38 | H382 | 65.9° | 65.4° |
| N37 | C40 | H401 | H402 | 120.6° | 120.4° |
| C41 | N37 | C40 | C38 | 96.8° | 126.4° |
| N37 | C41 | N42 | N43 | 179.4° | 179.9° |
| C41 | N37 | C32 | H321 | 24.1° | 6.6° |
| C41 | N37 | C32 | H322 | 145.5° | 113.8° |
| C41 | N37 | C40 | H401 | 23.0° | 6.6° |
| C41 | N37 | C40 | H402 | 143.4° | 113.9° |
| N37 | C41 | N42 | H42 | 179.4° | 180.0° |
| N37 | C41 | N43 | H431 | 179.4° | 4.4° |
| N37 | C41 | N43 | H432 | 0.6° | 175.6° |
| C40 | C38 | C33 | H331 | 60.2° | 58.6° |
| C40 | C38 | C33 | H332 | 179.7° | 178.6° |
| C40 | C38 | H381 | H382 | 119.8° | 120.0° |
| C38 | C40 | H401 | H402 | 120.6° | 120.3° |
| N42 | C41 | N43 | H431 | 0.0° | 175.5° |
| N42 | C41 | N43 | H432 | 180.0° | 4.5° |
| N43 | C41 | N42 | H42 | 0.0° | 0.1° |
| C41 | N43 | H431 | H432 | 180.0° | 180.0° |
| H1 | C1 | N3 | H3 | 115.0° | 172.6° |
| H1 | C1 | C4 | H41C | 60.5° | 175.0° |
| H1 | C1 | C4 | H42C | 57.4° | 65.0° |
| H14 | N14 | C20 | H201 | 54.3° | 119.9° |
| H14 | N14 | C20 | H202 | 171.9° | 120.0° |
| H19 | C19 | C26 | H26 | 0.4° | 0.0° |
| H201 | C20 | C27 | H27 | 55.6° | 64.9° |
| H202 | C20 | C27 | H27 | 62.0° | 175.0° |
| H21 | C21 | C28 | H28 | 0.1° | 0.0° |
| H22 | C22 | C29 | H29 | 0.1° | 0.0° |
| H27 | C27 | C32 | H321 | 61.6° | 54.4° |
| H27 | C27 | C32 | H322 | 177.0° | 174.9° |
| H27 | C27 | C33 | H331 | 173.5° | 178.6° |
| H27 | C27 | C33 | H332 | 66.5° | 61.5° |
| H28 | C28 | C34 | H34 | 0.1° | 0.0° |
| H29 | C29 | C34 | H34 | 0.3° | 0.2° |
| H31 | C31 | C36 | H36 | 0.1° | 0.2° |
| H331 | C33 | C38 | H381 | 59.8° | 61.3° |
| H331 | C33 | C38 | H382 | 179.7° | 178.6° |
| H332 | C33 | C38 | H381 | 60.3° | 58.6° |
| H332 | C33 | C38 | H382 | 59.6° | 61.5° |
| H35 | C35 | C39 | H39 | 0.1° | 0.0° |
| H36 | C36 | C39 | H39 | 0.2° | 0.0° |
| H381 | C38 | C40 | H401 | 66.0° | 65.6° |
| H381 | C38 | C40 | H402 | 54.4° | 54.8° |
| H382 | C38 | C40 | H401 | 53.9° | 54.4° |
| H382 | C38 | C40 | H402 | 174.4° | 174.9° |
