IVS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C57 | O56 | sing | 1.45Å | 1.46Å | |
| C57 | C76 | sing | 1.53Å | 1.53Å | |
| C57 | H571 | sing | 1.09Å | 1.11Å | |
| C57 | H572 | sing | 1.09Å | 1.11Å | |
| O56 | C53 | sing | 1.34Å | 1.36Å | |
| C53 | O75 | doub | 1.21Å | 1.25Å | |
| C53 | C52 | sing | 1.51Å | 1.47Å | |
| C52 | C51 | sing | 1.53Å | 1.56Å | |
| C52 | H521 | sing | 1.09Å | 1.11Å | |
| C52 | H522 | sing | 1.09Å | 1.11Å | |
| C51 | O72 | sing | 1.43Å | 1.46Å | |
| C51 | C23 | sing | 1.53Å | 1.58Å | |
| C51 | H511 | sing | 1.09Å | 1.12Å | |
| O72 | HO72 | sing | 0.97Å | 0.95Å | |
| C23 | C58 | sing | 1.53Å | 1.54Å | |
| C23 | N22 | sing | 1.46Å | 1.47Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C58 | C60 | sing | 1.53Å | 1.53Å | |
| C58 | H581 | sing | 1.09Å | 1.12Å | |
| C58 | H582 | sing | 1.09Å | 1.12Å | |
| N22 | C21 | sing | 1.35Å | 1.30Å | |
| N22 | H221 | sing | 0.97Å | 1.02Å | |
| C21 | O19 | doub | 1.21Å | 1.24Å | |
| C21 | C20 | sing | 1.51Å | 1.54Å | |
| C20 | N19 | sing | 1.46Å | 1.48Å | |
| C20 | C38 | sing | 1.53Å | 1.58Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| N19 | C18 | sing | 1.35Å | 1.34Å | |
| N19 | H191 | sing | 0.97Å | 1.02Å | |
| C18 | O36 | doub | 1.21Å | 1.23Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | N16 | sing | 1.46Å | 1.46Å | |
| C17 | C25 | sing | 1.53Å | 1.56Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| N16 | C12 | sing | 1.35Å | 1.37Å | |
| N16 | H161 | sing | 0.97Å | 1.02Å | |
| C12 | O15 | doub | 1.21Å | 1.24Å | |
| C12 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C2 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C2 | C6 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | HC21 | sing | 1.09Å | 1.11Å | |
| C6 | HC61 | sing | 1.09Å | 1.11Å | |
| C6 | HC62 | sing | 1.09Å | 1.12Å | |
| C6 | HC63 | sing | 1.09Å | 1.12Å | |
| C76 | H761 | sing | 1.09Å | 1.11Å | |
| C76 | H762 | sing | 1.09Å | 1.12Å | |
| C76 | H763 | sing | 1.09Å | 1.12Å | |
| C60 | C67 | sing | 1.53Å | 1.53Å | |
| C60 | C63 | sing | 1.53Å | 1.49Å | |
| C60 | H601 | sing | 1.09Å | 1.12Å | |
| C67 | H671 | sing | 1.09Å | 1.12Å | |
| C67 | H672 | sing | 1.09Å | 1.11Å | |
| C67 | H673 | sing | 1.09Å | 1.12Å | |
| C63 | H631 | sing | 1.09Å | 1.12Å | |
| C63 | H632 | sing | 1.09Å | 1.12Å | |
| C63 | H633 | sing | 1.09Å | 1.12Å | |
| C38 | C40 | sing | 1.53Å | 1.53Å | |
| C38 | C44 | sing | 1.53Å | 1.53Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.11Å | |
| C40 | H403 | sing | 1.09Å | 1.12Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C44 | H442 | sing | 1.09Å | 1.12Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å | |
| C25 | C27 | sing | 1.53Å | 1.51Å | |
| C25 | C31 | sing | 1.53Å | 1.50Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C31 | H313 | sing | 1.09Å | 1.12Å | |
| C1 | HC11 | sing | 1.09Å | 1.11Å | |
| C1 | HC12 | sing | 1.09Å | 1.12Å | |
| C1 | HC13 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O56 | C57 | C76 | 110.5° | 109.5° |
| O56 | C57 | H571 | 111.8° | 109.5° |
| O56 | C57 | H572 | 111.8° | 109.5° |
| C57 | O56 | C53 | 115.2° | 120.0° |
| C76 | C57 | H571 | 111.8° | 109.4° |
| C76 | C57 | H572 | 111.8° | 109.5° |
| C57 | C76 | H761 | 110.5° | 109.5° |
| C57 | C76 | H762 | 111.8° | 109.5° |
| C57 | C76 | H763 | 111.8° | 109.5° |
| H571 | C57 | H572 | 98.6° | 109.5° |
| O56 | C53 | O75 | 118.3° | 120.0° |
| O56 | C53 | C52 | 123.5° | 120.0° |
| O75 | C53 | C52 | 116.3° | 120.0° |
| C53 | C52 | C51 | 115.4° | 109.5° |
| C53 | C52 | H521 | 110.1° | 109.4° |
| C53 | C52 | H522 | 110.1° | 109.6° |
| C51 | C52 | H521 | 110.0° | 109.4° |
| C51 | C52 | H522 | 110.0° | 109.5° |
| C52 | C51 | O72 | 109.4° | 109.5° |
| C52 | C51 | C23 | 112.4° | 109.5° |
| C52 | C51 | H511 | 107.2° | 109.5° |
| H521 | C52 | H522 | 100.2° | 109.5° |
| O72 | C51 | C23 | 108.6° | 109.4° |
| O72 | C51 | H511 | 111.1° | 109.4° |
| C51 | O72 | HO72 | 109.4° | 106.8° |
| C23 | C51 | H511 | 108.1° | 109.5° |
| C51 | C23 | C58 | 112.9° | 109.5° |
| C51 | C23 | N22 | 110.0° | 109.5° |
| C51 | C23 | H231 | 106.6° | 109.4° |
| C58 | C23 | N22 | 108.7° | 109.5° |
| C58 | C23 | H231 | 107.8° | 109.5° |
| C23 | C58 | C60 | 112.9° | 109.5° |
| C23 | C58 | H581 | 110.9° | 109.5° |
| C23 | C58 | H582 | 111.0° | 109.5° |
| N22 | C23 | H231 | 110.8° | 109.4° |
| C23 | N22 | C21 | 119.8° | 120.1° |
| C23 | N22 | H221 | 126.1° | 120.0° |
| C60 | C58 | H581 | 111.0° | 109.5° |
| C60 | C58 | H582 | 111.0° | 109.5° |
| C58 | C60 | C67 | 112.8° | 109.5° |
| C58 | C60 | C63 | 108.6° | 109.5° |
| C58 | C60 | H601 | 107.6° | 109.5° |
| H581 | C58 | H582 | 99.3° | 109.4° |
| C21 | N22 | H221 | 114.0° | 120.0° |
| N22 | C21 | O19 | 123.8° | 119.9° |
| N22 | C21 | C20 | 115.4° | 120.1° |
| O19 | C21 | C20 | 120.8° | 120.0° |
| C21 | C20 | N19 | 105.2° | 109.5° |
| C21 | C20 | C38 | 110.4° | 109.4° |
| C21 | C20 | H201 | 112.7° | 109.4° |
| N19 | C20 | C38 | 112.4° | 109.5° |
| N19 | C20 | H201 | 110.7° | 109.5° |
| C20 | N19 | C18 | 122.0° | 120.0° |
| C20 | N19 | H191 | 123.9° | 120.0° |
| C38 | C20 | H201 | 105.6° | 109.5° |
| C20 | C38 | C40 | 110.6° | 109.5° |
| C20 | C38 | C44 | 110.9° | 109.5° |
| C20 | C38 | H381 | 107.1° | 109.5° |
| C18 | N19 | H191 | 114.1° | 120.0° |
| N19 | C18 | O36 | 124.9° | 120.0° |
| N19 | C18 | C17 | 115.4° | 120.1° |
| O36 | C18 | C17 | 119.7° | 120.0° |
| C18 | C17 | N16 | 102.3° | 109.6° |
| C18 | C17 | C25 | 111.3° | 109.5° |
| C18 | C17 | H171 | 114.7° | 109.4° |
| N16 | C17 | C25 | 114.1° | 109.5° |
| N16 | C17 | H171 | 111.9° | 109.5° |
| C17 | N16 | C12 | 117.0° | 120.1° |
| C17 | N16 | H161 | 124.6° | 120.0° |
| C25 | C17 | H171 | 103.0° | 109.4° |
| C17 | C25 | C27 | 110.6° | 109.4° |
| C17 | C25 | C31 | 110.2° | 109.5° |
| C17 | C25 | H251 | 107.4° | 109.5° |
| C12 | N16 | H161 | 118.4° | 120.0° |
| N16 | C12 | O15 | 125.1° | 119.9° |
| N16 | C12 | C10 | 113.2° | 120.1° |
| O15 | C12 | C10 | 121.6° | 120.0° |
| C12 | C10 | C2 | 113.9° | 109.5° |
| C12 | C10 | H101 | 110.6° | 109.5° |
| C12 | C10 | H102 | 110.6° | 109.5° |
| C2 | C10 | H101 | 110.6° | 109.5° |
| C2 | C10 | H102 | 110.6° | 109.4° |
| C10 | C2 | C6 | 111.6° | 109.5° |
| C10 | C2 | C1 | 106.3° | 109.5° |
| C10 | C2 | HC21 | 111.8° | 109.4° |
| H101 | C10 | H102 | 99.6° | 109.5° |
| C6 | C2 | C1 | 113.9° | 109.4° |
| C6 | C2 | HC21 | 103.9° | 109.4° |
| C2 | C6 | HC61 | 111.6° | 109.5° |
| C2 | C6 | HC62 | 111.4° | 109.4° |
| C2 | C6 | HC63 | 111.4° | 109.5° |
| C1 | C2 | HC21 | 109.4° | 109.5° |
| C2 | C1 | HC11 | 106.4° | 109.5° |
| C2 | C1 | HC12 | 113.4° | 109.4° |
| C2 | C1 | HC13 | 113.4° | 109.5° |
| HC61 | C6 | HC62 | 111.5° | 109.5° |
| HC61 | C6 | HC63 | 111.4° | 109.5° |
| HC62 | C6 | HC63 | 98.9° | 109.5° |
| H761 | C76 | H762 | 111.8° | 109.4° |
| H761 | C76 | H763 | 111.9° | 109.5° |
| H762 | C76 | H763 | 98.5° | 109.5° |
| C67 | C60 | C63 | 108.6° | 109.4° |
| C67 | C60 | H601 | 107.6° | 109.5° |
| C60 | C67 | H671 | 112.7° | 109.5° |
| C60 | C67 | H672 | 111.0° | 109.4° |
| C60 | C67 | H673 | 110.9° | 109.5° |
| C63 | C60 | H601 | 111.8° | 109.4° |
| C60 | C63 | H631 | 108.6° | 109.5° |
| C60 | C63 | H632 | 112.6° | 109.4° |
| C60 | C63 | H633 | 112.6° | 109.5° |
| H671 | C67 | H672 | 111.1° | 109.5° |
| H671 | C67 | H673 | 111.0° | 109.4° |
| H672 | C67 | H673 | 99.3° | 109.5° |
| H631 | C63 | H632 | 112.5° | 109.4° |
| H631 | C63 | H633 | 112.6° | 109.5° |
| H632 | C63 | H633 | 97.8° | 109.5° |
| C40 | C38 | C44 | 107.3° | 109.4° |
| C40 | C38 | H381 | 110.6° | 109.5° |
| C38 | C40 | H401 | 110.6° | 109.5° |
| C38 | C40 | H402 | 111.8° | 109.5° |
| C38 | C40 | H403 | 111.8° | 109.5° |
| C44 | C38 | H381 | 110.4° | 109.4° |
| C38 | C44 | H441 | 110.9° | 109.5° |
| C38 | C44 | H442 | 111.7° | 109.5° |
| C38 | C44 | H443 | 111.7° | 109.4° |
| H401 | C40 | H402 | 111.8° | 109.4° |
| H401 | C40 | H403 | 111.8° | 109.5° |
| H402 | C40 | H403 | 98.6° | 109.4° |
| H441 | C44 | H442 | 111.7° | 109.5° |
| H441 | C44 | H443 | 111.8° | 109.5° |
| H442 | C44 | H443 | 98.7° | 109.5° |
| C27 | C25 | C31 | 106.6° | 109.5° |
| C27 | C25 | H251 | 110.9° | 109.5° |
| C25 | C27 | H271 | 110.6° | 109.5° |
| C25 | C27 | H272 | 111.8° | 109.5° |
| C25 | C27 | H273 | 111.8° | 109.5° |
| C31 | C25 | H251 | 111.3° | 109.5° |
| C25 | C31 | H311 | 110.2° | 109.5° |
| C25 | C31 | H312 | 112.0° | 109.5° |
| C25 | C31 | H313 | 111.9° | 109.5° |
| H271 | C27 | H272 | 111.8° | 109.5° |
| H271 | C27 | H273 | 111.8° | 109.5° |
| H272 | C27 | H273 | 98.6° | 109.4° |
| H311 | C31 | H312 | 111.9° | 109.5° |
| H311 | C31 | H313 | 111.9° | 109.5° |
| H312 | C31 | H313 | 98.5° | 109.5° |
| HC11 | C1 | HC12 | 113.3° | 109.6° |
| HC11 | C1 | HC13 | 113.4° | 109.5° |
| HC12 | C1 | HC13 | 97.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O56 | C57 | C76 | H571 | 125.3° | 120.0° |
| O56 | C57 | C76 | H572 | 125.2° | 120.1° |
| O56 | C57 | H571 | H572 | 117.7° | 120.0° |
| C57 | O56 | C53 | O75 | 6.6° | 0.1° |
| C57 | O56 | C53 | C52 | 156.8° | 180.0° |
| O56 | C57 | C76 | H761 | 180.0° | 180.0° |
| O56 | C57 | C76 | H762 | 54.7° | 60.0° |
| O56 | C57 | C76 | H763 | 54.7° | 60.0° |
| C76 | C57 | H571 | H572 | 117.7° | 120.0° |
| C76 | C57 | O56 | C53 | 167.5° | 180.0° |
| C57 | C76 | H761 | H762 | 125.3° | 120.0° |
| C57 | C76 | H761 | H763 | 125.3° | 120.0° |
| C57 | C76 | H762 | H763 | 117.7° | 120.0° |
| H571 | C57 | O56 | C53 | 42.3° | 60.1° |
| H571 | C57 | C76 | H761 | 54.8° | 60.0° |
| H571 | C57 | C76 | H762 | 180.0° | 59.9° |
| H571 | C57 | C76 | H763 | 70.6° | 180.0° |
| H572 | C57 | O56 | C53 | 67.3° | 59.9° |
| H572 | C57 | C76 | H761 | 54.8° | 60.0° |
| H572 | C57 | C76 | H762 | 70.5° | 179.9° |
| H572 | C57 | C76 | H763 | 179.9° | 60.0° |
| O56 | C53 | O75 | C52 | 164.6° | 179.9° |
| O56 | C53 | C52 | C51 | 47.0° | 180.0° |
| O56 | C53 | C52 | H521 | 172.2° | 60.1° |
| O56 | C53 | C52 | H522 | 78.3° | 59.9° |
| O75 | C53 | C52 | C51 | 116.7° | 0.1° |
| O75 | C53 | C52 | H521 | 8.6° | 120.0° |
| O75 | C53 | C52 | H522 | 118.1° | 120.0° |
| C53 | C52 | C51 | H521 | 125.3° | 119.9° |
| C53 | C52 | C51 | H522 | 125.3° | 120.1° |
| C53 | C52 | H521 | H522 | 115.9° | 120.1° |
| C53 | C52 | C51 | O72 | 132.6° | 60.1° |
| C53 | C52 | C51 | C23 | 106.6° | 180.0° |
| C53 | C52 | C51 | H511 | 12.0° | 59.9° |
| C51 | C52 | H521 | H522 | 115.8° | 120.0° |
| C52 | C51 | O72 | C23 | 123.1° | 120.0° |
| C52 | C51 | O72 | H511 | 118.2° | 120.0° |
| C52 | C51 | C23 | H511 | 118.2° | 120.1° |
| C52 | C51 | O72 | HO72 | 180.0° | 59.9° |
| C52 | C51 | C23 | C58 | 178.3° | 180.0° |
| C52 | C51 | C23 | N22 | 56.7° | 59.9° |
| C52 | C51 | C23 | H231 | 63.5° | 60.0° |
| H521 | C52 | C51 | O72 | 102.1° | 180.0° |
| H521 | C52 | C51 | C23 | 18.7° | 60.1° |
| H521 | C52 | C51 | H511 | 137.3° | 60.0° |
| H522 | C52 | C51 | O72 | 7.4° | 60.1° |
| H522 | C52 | C51 | C23 | 128.1° | 59.9° |
| H522 | C52 | C51 | H511 | 113.3° | 180.0° |
| O72 | C51 | C23 | H511 | 120.6° | 119.9° |
| O72 | C51 | C23 | C58 | 57.1° | 60.0° |
| O72 | C51 | C23 | N22 | 64.5° | 60.1° |
| O72 | C51 | C23 | H231 | 175.3° | 180.0° |
| C23 | C51 | O72 | HO72 | 56.9° | 60.1° |
| C51 | C23 | C58 | N22 | 122.3° | 120.1° |
| C51 | C23 | C58 | H231 | 117.4° | 119.9° |
| C51 | C23 | N22 | H231 | 117.6° | 119.9° |
| C51 | C23 | C58 | C60 | 116.2° | 173.6° |
| C51 | C23 | C58 | H581 | 118.5° | 66.4° |
| C51 | C23 | C58 | H582 | 9.1° | 53.5° |
| C51 | C23 | N22 | C21 | 135.1° | 142.6° |
| C51 | C23 | N22 | H221 | 44.9° | 37.4° |
| H511 | C51 | O72 | HO72 | 61.8° | 180.0° |
| H511 | C51 | C23 | C58 | 63.5° | 59.9° |
| H511 | C51 | C23 | N22 | 174.9° | 180.0° |
| H511 | C51 | C23 | H231 | 54.6° | 60.1° |
| C58 | C23 | N22 | H231 | 118.3° | 120.0° |
| C23 | C58 | C60 | H581 | 125.3° | 120.0° |
| C23 | C58 | C60 | H582 | 125.3° | 120.1° |
| C23 | C58 | H581 | H582 | 116.8° | 120.0° |
| C58 | C23 | N22 | C21 | 100.8° | 97.3° |
| C58 | C23 | N22 | H221 | 79.2° | 82.6° |
| C23 | C58 | C60 | C67 | 59.3° | 173.5° |
| C23 | C58 | C60 | C63 | 179.7° | 66.5° |
| C23 | C58 | C60 | H601 | 59.2° | 53.4° |
| N22 | C23 | C58 | C60 | 121.5° | 66.3° |
| N22 | C23 | C58 | H581 | 3.8° | 53.7° |
| N22 | C23 | C58 | H582 | 113.2° | 173.6° |
| C23 | N22 | C21 | H221 | 180.0° | 179.9° |
| C23 | N22 | C21 | O19 | 15.1° | 6.1° |
| C23 | N22 | C21 | C20 | 165.1° | 173.9° |
| H231 | C23 | C58 | C60 | 1.2° | 53.7° |
| H231 | C23 | C58 | H581 | 124.0° | 173.7° |
| H231 | C23 | C58 | H582 | 126.5° | 66.4° |
| H231 | C23 | N22 | C21 | 17.5° | 22.7° |
| H231 | C23 | N22 | H221 | 162.5° | 157.3° |
| C60 | C58 | H581 | H582 | 116.8° | 120.0° |
| C58 | C60 | C67 | C63 | 120.4° | 120.0° |
| C58 | C60 | C67 | H601 | 118.5° | 120.1° |
| C58 | C60 | C63 | H601 | 118.5° | 120.0° |
| C58 | C60 | C67 | H671 | 180.0° | 180.0° |
| C58 | C60 | C67 | H672 | 54.7° | 60.0° |
| C58 | C60 | C67 | H673 | 54.7° | 60.0° |
| C58 | C60 | C63 | H631 | 180.0° | 65.1° |
| C58 | C60 | C63 | H632 | 54.7° | 54.8° |
| C58 | C60 | C63 | H633 | 54.7° | 174.8° |
| H581 | C58 | C60 | C67 | 66.0° | 53.5° |
| H581 | C58 | C60 | C63 | 54.4° | 173.5° |
| H581 | C58 | C60 | H601 | 175.5° | 66.6° |
| H582 | C58 | C60 | C67 | 175.5° | 66.4° |
| H582 | C58 | C60 | C63 | 55.1° | 53.6° |
| H582 | C58 | C60 | H601 | 66.1° | 173.5° |
| N22 | C21 | O19 | C20 | 179.8° | 180.0° |
| N22 | C21 | C20 | N19 | 110.2° | 148.9° |
| N22 | C21 | C20 | C38 | 128.3° | 91.0° |
| N22 | C21 | C20 | H201 | 10.5° | 29.0° |
| H221 | N22 | C21 | O19 | 164.9° | 173.9° |
| H221 | N22 | C21 | C20 | 14.9° | 6.0° |
| O19 | C21 | C20 | N19 | 70.0° | 31.1° |
| O19 | C21 | C20 | C38 | 51.5° | 88.9° |
| O19 | C21 | C20 | H201 | 169.3° | 151.1° |
| C21 | C20 | N19 | C38 | 120.2° | 120.0° |
| C21 | C20 | N19 | H201 | 122.0° | 119.9° |
| C21 | C20 | C38 | H201 | 122.1° | 119.9° |
| C21 | C20 | N19 | C18 | 125.5° | 150.0° |
| C21 | C20 | N19 | H191 | 54.5° | 30.1° |
| C21 | C20 | C38 | C40 | 62.2° | 56.5° |
| C21 | C20 | C38 | C44 | 178.9° | 63.4° |
| C21 | C20 | C38 | H381 | 58.4° | 176.6° |
| N19 | C20 | C38 | H201 | 120.7° | 120.0° |
| C20 | N19 | C18 | H191 | 180.0° | 179.8° |
| C20 | N19 | C18 | O36 | 1.9° | 4.8° |
| C20 | N19 | C18 | C17 | 179.6° | 175.3° |
| N19 | C20 | C38 | C40 | 179.3° | 63.5° |
| N19 | C20 | C38 | C44 | 61.7° | 176.5° |
| N19 | C20 | C38 | H381 | 58.7° | 56.6° |
| C38 | C20 | N19 | C18 | 114.4° | 90.0° |
| C38 | C20 | N19 | H191 | 65.7° | 89.8° |
| C20 | C38 | C40 | C44 | 121.0° | 120.0° |
| C20 | C38 | C40 | H381 | 118.5° | 120.1° |
| C20 | C38 | C44 | H381 | 118.5° | 120.0° |
| C20 | C38 | C40 | H401 | 180.0° | 180.0° |
| C20 | C38 | C40 | H402 | 54.7° | 60.0° |
| C20 | C38 | C40 | H403 | 54.7° | 60.0° |
| C20 | C38 | C44 | H441 | 180.0° | 69.3° |
| C20 | C38 | C44 | H442 | 54.7° | 50.7° |
| C20 | C38 | C44 | H443 | 54.7° | 170.7° |
| H201 | C20 | N19 | C18 | 3.4° | 30.1° |
| H201 | C20 | N19 | H191 | 176.5° | 150.1° |
| H201 | C20 | C38 | C40 | 59.9° | 176.5° |
| H201 | C20 | C38 | C44 | 59.0° | 56.5° |
| H201 | C20 | C38 | H381 | 179.5° | 63.5° |
| N19 | C18 | O36 | C17 | 178.4° | 180.0° |
| N19 | C18 | C17 | N16 | 127.4° | 152.5° |
| N19 | C18 | C17 | C25 | 110.4° | 87.4° |
| N19 | C18 | C17 | H171 | 6.0° | 32.4° |
| H191 | N19 | C18 | O36 | 178.2° | 175.4° |
| H191 | N19 | C18 | C17 | 0.3° | 4.5° |
| O36 | C18 | C17 | N16 | 51.2° | 27.5° |
| O36 | C18 | C17 | C25 | 71.0° | 92.5° |
| O36 | C18 | C17 | H171 | 172.6° | 147.6° |
| C18 | C17 | N16 | C25 | 120.3° | 120.0° |
| C18 | C17 | N16 | H171 | 123.2° | 120.1° |
| C18 | C17 | C25 | H171 | 123.3° | 119.9° |
| C18 | C17 | N16 | C12 | 114.1° | 150.0° |
| C18 | C17 | N16 | H161 | 66.0° | 30.0° |
| C18 | C17 | C25 | C27 | 63.6° | 54.7° |
| C18 | C17 | C25 | C31 | 178.8° | 65.2° |
| C18 | C17 | C25 | H251 | 57.4° | 174.7° |
| N16 | C17 | C25 | H171 | 121.5° | 120.0° |
| C17 | N16 | C12 | H161 | 180.0° | 180.0° |
| C17 | N16 | C12 | O15 | 0.4° | 0.0° |
| C17 | N16 | C12 | C10 | 179.2° | 179.9° |
| N16 | C17 | C25 | C27 | 178.8° | 65.4° |
| N16 | C17 | C25 | C31 | 63.6° | 174.7° |
| N16 | C17 | C25 | H251 | 57.7° | 54.6° |
| C25 | C17 | N16 | C12 | 125.7° | 90.0° |
| C25 | C17 | N16 | H161 | 54.3° | 90.1° |
| C17 | C25 | C27 | C31 | 119.8° | 120.0° |
| C17 | C25 | C27 | H251 | 119.0° | 120.0° |
| C17 | C25 | C31 | H251 | 119.0° | 120.0° |
| C17 | C25 | C27 | H271 | 180.0° | 180.0° |
| C17 | C25 | C27 | H272 | 54.8° | 60.0° |
| C17 | C25 | C27 | H273 | 54.7° | 60.0° |
| C17 | C25 | C31 | H311 | 180.0° | 56.6° |
| C17 | C25 | C31 | H312 | 54.8° | 63.4° |
| C17 | C25 | C31 | H313 | 54.8° | 176.5° |
| H171 | C17 | N16 | C12 | 9.2° | 29.9° |
| H171 | C17 | N16 | H161 | 170.8° | 150.0° |
| H171 | C17 | C25 | C27 | 59.7° | 174.7° |
| H171 | C17 | C25 | C31 | 57.9° | 54.7° |
| H171 | C17 | C25 | H251 | 179.2° | 65.4° |
| N16 | C12 | O15 | C10 | 179.5° | 180.0° |
| N16 | C12 | C10 | C2 | 107.5° | 180.0° |
| N16 | C12 | C10 | H101 | 17.8° | 60.0° |
| N16 | C12 | C10 | H102 | 127.2° | 60.1° |
| H161 | N16 | C12 | O15 | 179.6° | 180.0° |
| H161 | N16 | C12 | C10 | 0.8° | 0.0° |
| O15 | C12 | C10 | C2 | 72.1° | 0.0° |
| O15 | C12 | C10 | H101 | 162.6° | 120.0° |
| O15 | C12 | C10 | H102 | 53.2° | 120.0° |
| C12 | C10 | C2 | H101 | 125.3° | 120.1° |
| C12 | C10 | C2 | H102 | 125.3° | 119.9° |
| C12 | C10 | H101 | H102 | 116.4° | 120.0° |
| C12 | C10 | C2 | C6 | 55.4° | 180.0° |
| C12 | C10 | C2 | C1 | 179.8° | 60.0° |
| C12 | C10 | C2 | HC21 | 60.5° | 60.1° |
| C2 | C10 | H101 | H102 | 116.5° | 119.9° |
| C10 | C2 | C6 | C1 | 120.4° | 120.0° |
| C10 | C2 | C6 | HC21 | 120.6° | 120.0° |
| C10 | C2 | C1 | HC21 | 120.9° | 120.0° |
| C10 | C2 | C6 | HC61 | 180.0° | 180.0° |
| C10 | C2 | C6 | HC62 | 54.7° | 60.0° |
| C10 | C2 | C6 | HC63 | 54.7° | 60.0° |
| C10 | C2 | C1 | HC11 | 180.0° | 60.1° |
| C10 | C2 | C1 | HC12 | 54.8° | 60.0° |
| C10 | C2 | C1 | HC13 | 54.7° | 179.9° |
| H101 | C10 | C2 | C6 | 69.8° | 60.0° |
| H101 | C10 | C2 | C1 | 54.9° | 180.0° |
| H101 | C10 | C2 | HC21 | 174.3° | 60.0° |
| H102 | C10 | C2 | C6 | 179.3° | 60.0° |
| H102 | C10 | C2 | C1 | 54.5° | 60.0° |
| H102 | C10 | C2 | HC21 | 64.8° | 180.0° |
| C6 | C2 | C1 | HC21 | 115.8° | 119.9° |
| C2 | C6 | HC61 | HC62 | 125.3° | 120.0° |
| C2 | C6 | HC61 | HC63 | 125.2° | 120.0° |
| C2 | C6 | HC62 | HC63 | 117.3° | 120.0° |
| C6 | C2 | C1 | HC11 | 56.6° | 60.0° |
| C6 | C2 | C1 | HC12 | 68.6° | 179.9° |
| C6 | C2 | C1 | HC13 | 178.0° | 60.0° |
| C1 | C2 | C6 | HC61 | 59.5° | 60.0° |
| C1 | C2 | C6 | HC62 | 175.1° | 180.0° |
| C1 | C2 | C6 | HC63 | 65.7° | 60.0° |
| C2 | C1 | HC11 | HC12 | 125.2° | 120.0° |
| C2 | C1 | HC11 | HC13 | 125.3° | 120.0° |
| C2 | C1 | HC12 | HC13 | 119.3° | 119.9° |
| HC21 | C2 | C6 | HC61 | 59.4° | 60.0° |
| HC21 | C2 | C6 | HC62 | 65.9° | 60.0° |
| HC21 | C2 | C6 | HC63 | 175.3° | 180.0° |
| HC21 | C2 | C1 | HC11 | 59.2° | 179.9° |
| HC21 | C2 | C1 | HC12 | 175.6° | 60.0° |
| HC21 | C2 | C1 | HC13 | 66.2° | 59.9° |
| HC61 | C6 | HC62 | HC63 | 117.3° | 120.0° |
| H761 | C76 | H762 | H763 | 117.8° | 120.0° |
| C67 | C60 | C63 | H601 | 118.6° | 120.0° |
| C60 | C67 | H671 | H672 | 125.3° | 120.0° |
| C60 | C67 | H671 | H673 | 125.2° | 120.0° |
| C60 | C67 | H672 | H673 | 116.8° | 120.0° |
| C67 | C60 | C63 | H631 | 57.1° | 54.9° |
| C67 | C60 | C63 | H632 | 68.2° | 174.8° |
| C67 | C60 | C63 | H633 | 177.6° | 65.2° |
| C63 | C60 | C67 | H671 | 59.6° | 60.0° |
| C63 | C60 | C67 | H672 | 175.1° | 180.0° |
| C63 | C60 | C67 | H673 | 65.6° | 60.0° |
| C60 | C63 | H631 | H632 | 125.3° | 119.9° |
| C60 | C63 | H631 | H633 | 125.3° | 120.1° |
| C60 | C63 | H632 | H633 | 118.5° | 120.0° |
| H601 | C60 | C67 | H671 | 61.6° | 60.0° |
| H601 | C60 | C67 | H672 | 63.8° | 60.1° |
| H601 | C60 | C67 | H673 | 173.2° | 179.9° |
| H601 | C60 | C63 | H631 | 61.5° | 174.9° |
| H601 | C60 | C63 | H632 | 173.2° | 65.2° |
| H601 | C60 | C63 | H633 | 63.8° | 54.8° |
| H671 | C67 | H672 | H673 | 116.9° | 120.0° |
| H631 | C63 | H632 | H633 | 118.4° | 120.0° |
| C40 | C38 | C44 | H381 | 120.7° | 120.0° |
| C38 | C40 | H401 | H402 | 125.3° | 120.0° |
| C38 | C40 | H401 | H403 | 125.3° | 120.1° |
| C38 | C40 | H402 | H403 | 117.7° | 120.0° |
| C40 | C38 | C44 | H441 | 59.1° | 50.7° |
| C40 | C38 | C44 | H442 | 66.1° | 170.7° |
| C40 | C38 | C44 | H443 | 175.5° | 69.3° |
| C44 | C38 | C40 | H401 | 58.9° | 60.1° |
| C44 | C38 | C40 | H402 | 175.8° | 180.0° |
| C44 | C38 | C40 | H403 | 66.3° | 60.0° |
| C38 | C44 | H441 | H442 | 125.2° | 120.0° |
| C38 | C44 | H441 | H443 | 125.3° | 120.0° |
| C38 | C44 | H442 | H443 | 117.6° | 120.0° |
| H381 | C38 | C40 | H401 | 61.6° | 59.9° |
| H381 | C38 | C40 | H402 | 63.7° | 60.1° |
| H381 | C38 | C40 | H403 | 173.2° | 180.0° |
| H381 | C38 | C44 | H441 | 61.6° | 170.7° |
| H381 | C38 | C44 | H442 | 173.2° | 69.3° |
| H381 | C38 | C44 | H443 | 63.8° | 50.7° |
| H401 | C40 | H402 | H403 | 117.7° | 120.0° |
| H441 | C44 | H442 | H443 | 117.6° | 120.0° |
| C27 | C25 | C31 | H251 | 121.0° | 120.0° |
| C25 | C27 | H271 | H272 | 125.2° | 120.0° |
| C25 | C27 | H271 | H273 | 125.3° | 120.1° |
| C25 | C27 | H272 | H273 | 117.7° | 120.0° |
| C27 | C25 | C31 | H311 | 59.9° | 63.4° |
| C27 | C25 | C31 | H312 | 65.3° | 176.6° |
| C27 | C25 | C31 | H313 | 174.8° | 56.6° |
| C31 | C25 | C27 | H271 | 60.2° | 60.0° |
| C31 | C25 | C27 | H272 | 174.5° | 180.0° |
| C31 | C25 | C27 | H273 | 65.0° | 60.0° |
| C25 | C31 | H311 | H312 | 125.3° | 120.0° |
| C25 | C31 | H311 | H313 | 125.2° | 120.0° |
| C25 | C31 | H312 | H313 | 117.9° | 120.0° |
| H251 | C25 | C27 | H271 | 61.0° | 60.0° |
| H251 | C25 | C27 | H272 | 64.2° | 60.0° |
| H251 | C25 | C27 | H273 | 173.7° | 180.0° |
| H251 | C25 | C31 | H311 | 61.0° | 176.6° |
| H251 | C25 | C31 | H312 | 173.7° | 56.6° |
| H251 | C25 | C31 | H313 | 64.2° | 63.4° |
| H271 | C27 | H272 | H273 | 117.7° | 119.9° |
| H311 | C31 | H312 | H313 | 117.9° | 120.0° |
| HC11 | C1 | HC12 | HC13 | 119.3° | 120.1° |
