78J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C05 | sing | 1.51Å | 1.51Å | |
| C05 | C06 | doub | 1.36Å | 1.34Å | |
| C05 | C56 | sing | 1.41Å | 1.46Å | |
| C06 | C08 | sing | 1.46Å | 1.44Å | |
| C08 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C08 | C53 | sing | 1.41Å | 1.40Å | Aromatic |
| C09 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| N13 | C14 | sing | 1.32Å | 1.35Å | Aromatic |
| C14 | N15 | sing | 1.39Å | 1.35Å | |
| C14 | C53 | doub | 1.40Å | 1.42Å | Aromatic |
| N15 | C17 | sing | 1.47Å | 1.46Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C30 | sing | 1.53Å | 1.52Å | |
| C19 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | N25 | sing | 1.47Å | 1.47Å | |
| N25 | C27 | sing | 1.47Å | 1.46Å | |
| C27 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | O32 | sing | 1.43Å | 1.43Å | |
| O32 | C33 | sing | 1.43Å | 1.43Å | |
| C33 | C36 | sing | 1.53Å | 1.51Å | |
| C36 | C38 | sing | 1.53Å | 1.52Å | |
| C36 | C50 | sing | 1.53Å | 1.52Å | |
| C38 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | C47 | sing | 1.53Å | 1.52Å | |
| C47 | C50 | sing | 1.53Å | 1.53Å | |
| C53 | N54 | sing | 1.38Å | 1.38Å | |
| N54 | C56 | sing | 1.35Å | 1.35Å | |
| C56 | O57 | doub | 1.22Å | 1.23Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| N25 | H25 | sing | 1.01Å | 1.00Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| N54 | H54 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C05 | C06 | 118.5° | 119.9° |
| C01 | C05 | C56 | 118.8° | 119.9° |
| C05 | C01 | H011 | 109.5° | 109.5° |
| C05 | C01 | H012 | 109.5° | 109.4° |
| C05 | C01 | H013 | 109.5° | 109.4° |
| C06 | C05 | C56 | 122.7° | 120.2° |
| C05 | C06 | C08 | 119.8° | 118.4° |
| C05 | C06 | H06 | 120.1° | 120.8° |
| C05 | C56 | N54 | 114.9° | 121.7° |
| C05 | C56 | O57 | 124.9° | 119.1° |
| C06 | C08 | C09 | 124.0° | 122.1° |
| C06 | C08 | C53 | 118.4° | 119.2° |
| C08 | C06 | H06 | 120.1° | 120.8° |
| C09 | C08 | C53 | 117.6° | 118.6° |
| C08 | C09 | C11 | 118.2° | 118.8° |
| C08 | C09 | H09 | 120.9° | 120.6° |
| C08 | C53 | C14 | 121.8° | 118.6° |
| C08 | C53 | N54 | 118.9° | 119.6° |
| C09 | C11 | N13 | 124.2° | 121.4° |
| C11 | C09 | H09 | 120.9° | 120.6° |
| C09 | C11 | H11 | 117.9° | 119.3° |
| C11 | N13 | C14 | 120.1° | 122.6° |
| N13 | C11 | H11 | 117.9° | 119.3° |
| N13 | C14 | N15 | 117.3° | 120.0° |
| N13 | C14 | C53 | 118.1° | 120.0° |
| N15 | C14 | C53 | 124.6° | 120.0° |
| C14 | N15 | C17 | 126.5° | 120.0° |
| C14 | N15 | H15 | 105.1° | 120.0° |
| C14 | C53 | N54 | 119.3° | 121.8° |
| N15 | C17 | C19 | 110.5° | 109.5° |
| N15 | C17 | C30 | 111.7° | 109.5° |
| C17 | N15 | H15 | 105.1° | 120.0° |
| N15 | C17 | H17 | 108.9° | 109.5° |
| C19 | C17 | C30 | 109.6° | 109.2° |
| C17 | C19 | C22 | 110.2° | 109.3° |
| C19 | C17 | H17 | 108.0° | 109.5° |
| C17 | C19 | H191 | 109.3° | 109.6° |
| C17 | C19 | H192 | 109.3° | 109.5° |
| C17 | C30 | C27 | 111.4° | 109.2° |
| C17 | C30 | O32 | 108.4° | 109.5° |
| C30 | C17 | H17 | 108.1° | 109.6° |
| C17 | C30 | H30 | 108.8° | 109.5° |
| C19 | C22 | N25 | 110.0° | 109.5° |
| C22 | C19 | H191 | 109.3° | 109.5° |
| C22 | C19 | H192 | 109.3° | 109.5° |
| C19 | C22 | H221 | 109.3° | 109.5° |
| C19 | C22 | H222 | 109.4° | 109.4° |
| C22 | N25 | C27 | 110.5° | 111.2° |
| N25 | C22 | H221 | 109.3° | 109.5° |
| N25 | C22 | H222 | 109.3° | 109.5° |
| C22 | N25 | H25 | 109.2° | 111.0° |
| N25 | C27 | C30 | 110.6° | 109.5° |
| C27 | N25 | H25 | 109.2° | 111.0° |
| N25 | C27 | H271 | 109.2° | 109.4° |
| N25 | C27 | H272 | 109.2° | 109.5° |
| C27 | C30 | O32 | 109.4° | 109.5° |
| C27 | C30 | H30 | 108.8° | 109.5° |
| C30 | C27 | H271 | 109.2° | 109.5° |
| C30 | C27 | H272 | 109.2° | 109.5° |
| C30 | O32 | C33 | 115.3° | 114.0° |
| O32 | C30 | H30 | 110.0° | 109.6° |
| O32 | C33 | C36 | 110.1° | 109.4° |
| O32 | C33 | H331 | 109.3° | 109.5° |
| O32 | C33 | H332 | 109.3° | 109.5° |
| C33 | C36 | C38 | 110.7° | 109.5° |
| C33 | C36 | C50 | 110.5° | 109.5° |
| C36 | C33 | H331 | 109.3° | 109.4° |
| C36 | C33 | H332 | 109.3° | 109.4° |
| C33 | C36 | H36 | 109.0° | 109.5° |
| C38 | C36 | C50 | 109.1° | 109.5° |
| C36 | C38 | C41 | 112.5° | 109.5° |
| C38 | C36 | H36 | 108.8° | 109.4° |
| C36 | C38 | H381 | 108.7° | 109.5° |
| C36 | C38 | H382 | 108.7° | 109.5° |
| C36 | C50 | C47 | 112.6° | 109.4° |
| C50 | C36 | H36 | 108.8° | 109.5° |
| C36 | C50 | H501 | 108.7° | 109.5° |
| C36 | C50 | H502 | 108.7° | 109.4° |
| C38 | C41 | C44 | 111.2° | 109.5° |
| C41 | C38 | H381 | 108.7° | 109.5° |
| C41 | C38 | H382 | 108.7° | 109.5° |
| C38 | C41 | H411 | 109.0° | 109.5° |
| C38 | C41 | H412 | 109.0° | 109.5° |
| C41 | C44 | C47 | 111.0° | 109.4° |
| C44 | C41 | H411 | 109.1° | 109.5° |
| C44 | C41 | H412 | 109.1° | 109.4° |
| C41 | C44 | H441 | 109.1° | 109.5° |
| C41 | C44 | H442 | 109.1° | 109.5° |
| C44 | C47 | C50 | 111.2° | 109.5° |
| C47 | C44 | H441 | 109.1° | 109.5° |
| C47 | C44 | H442 | 109.1° | 109.5° |
| C44 | C47 | H471 | 109.1° | 109.5° |
| C44 | C47 | H472 | 109.0° | 109.5° |
| C47 | C50 | H501 | 108.7° | 109.5° |
| C47 | C50 | H502 | 108.7° | 109.5° |
| C50 | C47 | H471 | 109.0° | 109.4° |
| C50 | C47 | H472 | 109.0° | 109.4° |
| C53 | N54 | C56 | 125.3° | 120.9° |
| C53 | N54 | H54 | 117.4° | 119.6° |
| N54 | C56 | O57 | 120.3° | 119.2° |
| C56 | N54 | H54 | 117.4° | 119.6° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.4° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.4° |
| H501 | C50 | H502 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C05 | C06 | C56 | 179.9° | 179.7° |
| C01 | C05 | C06 | C08 | 179.8° | 180.0° |
| C01 | C05 | C56 | N54 | 179.7° | 179.7° |
| C01 | C05 | C56 | O57 | 0.4° | 0.0° |
| C05 | C01 | H011 | H012 | 120.0° | 119.9° |
| C05 | C01 | H011 | H013 | 120.0° | 120.0° |
| C05 | C01 | H012 | H013 | 120.0° | 119.9° |
| C01 | C05 | C06 | H06 | 0.1° | 0.0° |
| C05 | C06 | C08 | H06 | 180.0° | 179.9° |
| C05 | C06 | C08 | C09 | 179.6° | 180.0° |
| C05 | C06 | C08 | C53 | 0.4° | 0.0° |
| C06 | C05 | C56 | N54 | 0.4° | 0.6° |
| C06 | C05 | C56 | O57 | 179.7° | 179.7° |
| C06 | C05 | C01 | H011 | 180.0° | 90.0° |
| C06 | C05 | C01 | H012 | 60.0° | 150.0° |
| C06 | C05 | C01 | H013 | 60.0° | 30.0° |
| C56 | C05 | C06 | C08 | 0.0° | 0.3° |
| C05 | C56 | N54 | C53 | 0.5° | 0.5° |
| C05 | C56 | N54 | O57 | 179.3° | 179.8° |
| C56 | C05 | C01 | H011 | 0.1° | 90.2° |
| C56 | C05 | C01 | H012 | 120.1° | 29.7° |
| C56 | C05 | C01 | H013 | 119.8° | 149.7° |
| C56 | C05 | C06 | H06 | 180.0° | 179.8° |
| C05 | C56 | N54 | H54 | 179.5° | 179.7° |
| C06 | C08 | C09 | C53 | 180.0° | 179.9° |
| C06 | C08 | C09 | C11 | 179.7° | 180.0° |
| C06 | C08 | C53 | C14 | 179.6° | 180.0° |
| C06 | C08 | C53 | N54 | 0.3° | 0.0° |
| C06 | C08 | C09 | H09 | 0.3° | 0.1° |
| C08 | C09 | C11 | H09 | 180.0° | 179.9° |
| C08 | C09 | C11 | N13 | 0.3° | 0.0° |
| C09 | C08 | C53 | C14 | 0.4° | 0.1° |
| C09 | C08 | C53 | N54 | 179.7° | 180.0° |
| C09 | C08 | C06 | H06 | 0.4° | 0.1° |
| C08 | C09 | C11 | H11 | 179.7° | 180.0° |
| C53 | C08 | C09 | C11 | 0.2° | 0.0° |
| C08 | C53 | C14 | N13 | 0.5° | 0.0° |
| C08 | C53 | C14 | N15 | 179.5° | 180.0° |
| C08 | C53 | C14 | N54 | 179.9° | 180.0° |
| C08 | C53 | N54 | C56 | 0.2° | 0.3° |
| C53 | C08 | C06 | H06 | 179.6° | 180.0° |
| C53 | C08 | C09 | H09 | 179.7° | 179.9° |
| C08 | C53 | N54 | H54 | 179.8° | 180.0° |
| C09 | C11 | N13 | H11 | 180.0° | 180.0° |
| C09 | C11 | N13 | C14 | 0.5° | 0.0° |
| C11 | N13 | C14 | N15 | 179.6° | 180.0° |
| C11 | N13 | C14 | C53 | 0.6° | 0.0° |
| N13 | C11 | C09 | H09 | 179.7° | 179.9° |
| N13 | C14 | N15 | C53 | 179.0° | 180.0° |
| N13 | C14 | N15 | C17 | 19.3° | 0.0° |
| N13 | C14 | C53 | N54 | 179.5° | 180.0° |
| C14 | N13 | C11 | H11 | 179.5° | 180.0° |
| N13 | C14 | N15 | H15 | 141.6° | 180.0° |
| C14 | N15 | C17 | H15 | 122.3° | 180.0° |
| C14 | N15 | C17 | C19 | 153.1° | 85.0° |
| C14 | N15 | C17 | C30 | 84.6° | 155.3° |
| N15 | C14 | C53 | N54 | 0.6° | 0.0° |
| C14 | N15 | C17 | H17 | 34.7° | 35.1° |
| C53 | C14 | N15 | C17 | 161.7° | 180.0° |
| C14 | C53 | N54 | C56 | 179.9° | 179.7° |
| C53 | C14 | N15 | H15 | 39.4° | 0.0° |
| C14 | C53 | N54 | H54 | 0.1° | 0.0° |
| N15 | C17 | C19 | C30 | 123.5° | 119.9° |
| N15 | C17 | C19 | H17 | 119.0° | 120.1° |
| N15 | C17 | C30 | H17 | 119.7° | 120.1° |
| N15 | C17 | C19 | C22 | 178.1° | 177.6° |
| N15 | C17 | C30 | C27 | 175.7° | 177.6° |
| N15 | C17 | C30 | O32 | 63.9° | 62.5° |
| N15 | C17 | C19 | H191 | 58.0° | 57.6° |
| N15 | C17 | C19 | H192 | 61.8° | 62.5° |
| N15 | C17 | C30 | H30 | 55.7° | 57.7° |
| C19 | C17 | C30 | H17 | 117.5° | 120.0° |
| C17 | C19 | C22 | H191 | 120.1° | 120.0° |
| C17 | C19 | C22 | H192 | 120.1° | 120.0° |
| C17 | C19 | C22 | N25 | 59.5° | 59.2° |
| C19 | C17 | C30 | C27 | 52.9° | 57.7° |
| C19 | C17 | C30 | O32 | 173.3° | 177.6° |
| C19 | C17 | N15 | H15 | 84.6° | 95.0° |
| C17 | C19 | H191 | H192 | 119.7° | 120.1° |
| C19 | C17 | C30 | H30 | 67.1° | 62.2° |
| C17 | C19 | C22 | H221 | 179.6° | 179.2° |
| C17 | C19 | C22 | H222 | 60.6° | 60.9° |
| C30 | C17 | C19 | C22 | 54.6° | 57.7° |
| C17 | C30 | C27 | N25 | 55.8° | 59.2° |
| C17 | C30 | C27 | O32 | 119.8° | 119.9° |
| C17 | C30 | C27 | H30 | 119.9° | 119.9° |
| C17 | C30 | O32 | H30 | 118.8° | 120.1° |
| C17 | C30 | O32 | C33 | 155.8° | 150.0° |
| C30 | C17 | N15 | H15 | 37.7° | 24.7° |
| C30 | C17 | C19 | H191 | 65.5° | 62.3° |
| C30 | C17 | C19 | H192 | 174.7° | 177.6° |
| C17 | C30 | C27 | H271 | 176.0° | 179.1° |
| C17 | C30 | C27 | H272 | 64.3° | 60.9° |
| C19 | C22 | N25 | H221 | 120.1° | 120.1° |
| C19 | C22 | N25 | H222 | 120.1° | 120.0° |
| C19 | C22 | N25 | C27 | 62.3° | 61.7° |
| C22 | C19 | C17 | H17 | 62.9° | 62.4° |
| C22 | C19 | H191 | H192 | 119.7° | 120.0° |
| C19 | C22 | H221 | H222 | 119.8° | 119.9° |
| C19 | C22 | N25 | H25 | 57.9° | 62.4° |
| C22 | N25 | C27 | H25 | 120.2° | 124.1° |
| C22 | N25 | C27 | C30 | 60.1° | 61.8° |
| N25 | C22 | C19 | H191 | 60.6° | 60.8° |
| N25 | C22 | C19 | H192 | 179.6° | 179.2° |
| N25 | C22 | H221 | H222 | 119.7° | 120.0° |
| C22 | N25 | C27 | H271 | 179.7° | 178.2° |
| C22 | N25 | C27 | H272 | 60.0° | 58.3° |
| N25 | C27 | C30 | H271 | 120.2° | 120.0° |
| N25 | C27 | C30 | H272 | 120.2° | 120.1° |
| N25 | C27 | C30 | O32 | 175.7° | 179.1° |
| N25 | C27 | C30 | H30 | 64.1° | 60.7° |
| C27 | N25 | C22 | H221 | 177.7° | 178.2° |
| C27 | N25 | C22 | H222 | 57.8° | 58.3° |
| N25 | C27 | H271 | H272 | 119.5° | 120.0° |
| C27 | C30 | O32 | H30 | 119.5° | 120.1° |
| C27 | C30 | O32 | C33 | 82.6° | 90.2° |
| C27 | C30 | C17 | H17 | 64.6° | 62.3° |
| C30 | C27 | N25 | H25 | 60.0° | 62.3° |
| C30 | C27 | H271 | H272 | 119.4° | 120.0° |
| C30 | O32 | C33 | C36 | 173.1° | 180.0° |
| O32 | C30 | C17 | H17 | 55.8° | 57.6° |
| O32 | C30 | C27 | H271 | 64.1° | 60.9° |
| O32 | C30 | C27 | H272 | 55.5° | 59.0° |
| C30 | O32 | C33 | H331 | 53.1° | 60.0° |
| C30 | O32 | C33 | H332 | 66.8° | 60.0° |
| O32 | C33 | C36 | H331 | 120.1° | 120.0° |
| O32 | C33 | C36 | H332 | 120.1° | 120.0° |
| O32 | C33 | C36 | C38 | 65.0° | 175.0° |
| O32 | C33 | C36 | C50 | 174.1° | 65.0° |
| C33 | O32 | C30 | H30 | 37.0° | 29.9° |
| O32 | C33 | H331 | H332 | 119.7° | 120.1° |
| O32 | C33 | C36 | H36 | 54.6° | 55.1° |
| C33 | C36 | C38 | C50 | 121.8° | 120.0° |
| C33 | C36 | C38 | H36 | 119.7° | 120.0° |
| C33 | C36 | C50 | H36 | 119.6° | 120.0° |
| C33 | C36 | C38 | C41 | 177.0° | 180.0° |
| C33 | C36 | C50 | C47 | 177.0° | 180.0° |
| C36 | C33 | H331 | H332 | 119.7° | 119.9° |
| C33 | C36 | C38 | H381 | 62.5° | 60.0° |
| C33 | C36 | C38 | H382 | 56.6° | 60.0° |
| C33 | C36 | C50 | H501 | 56.5° | 60.0° |
| C33 | C36 | C50 | H502 | 62.6° | 60.0° |
| C38 | C36 | C50 | H36 | 118.5° | 120.0° |
| C36 | C38 | C41 | H381 | 120.5° | 120.1° |
| C36 | C38 | C41 | H382 | 120.4° | 120.0° |
| C36 | C38 | C41 | C44 | 56.3° | 60.0° |
| C38 | C36 | C50 | C47 | 55.1° | 60.0° |
| C38 | C36 | C33 | H331 | 55.1° | 55.0° |
| C38 | C36 | C33 | H332 | 174.9° | 65.0° |
| C36 | C38 | H381 | H382 | 118.6° | 120.0° |
| C38 | C36 | C50 | H501 | 65.4° | 60.0° |
| C38 | C36 | C50 | H502 | 175.5° | 180.0° |
| C36 | C38 | C41 | H411 | 64.0° | 60.1° |
| C36 | C38 | C41 | H412 | 176.5° | 180.0° |
| C50 | C36 | C38 | C41 | 55.3° | 60.0° |
| C36 | C50 | C47 | C44 | 55.8° | 60.0° |
| C36 | C50 | C47 | H501 | 120.5° | 120.0° |
| C36 | C50 | C47 | H502 | 120.5° | 120.0° |
| C50 | C36 | C33 | H331 | 65.8° | 175.0° |
| C50 | C36 | C33 | H332 | 54.0° | 55.0° |
| C50 | C36 | C38 | H381 | 175.7° | 180.0° |
| C50 | C36 | C38 | H382 | 65.1° | 60.0° |
| C36 | C50 | H501 | H502 | 118.6° | 120.0° |
| C36 | C50 | C47 | H471 | 64.5° | 60.0° |
| C36 | C50 | C47 | H472 | 176.1° | 180.0° |
| C38 | C41 | C44 | H411 | 120.2° | 120.0° |
| C38 | C41 | C44 | H412 | 120.3° | 120.0° |
| C38 | C41 | C44 | C47 | 55.0° | 60.0° |
| C41 | C38 | C36 | H36 | 63.2° | 60.0° |
| C41 | C38 | H381 | H382 | 118.6° | 120.0° |
| C38 | C41 | H411 | H412 | 119.2° | 120.0° |
| C38 | C41 | C44 | H441 | 175.2° | 180.0° |
| C38 | C41 | C44 | H442 | 65.3° | 60.0° |
| C41 | C44 | C47 | H441 | 120.2° | 120.0° |
| C41 | C44 | C47 | H442 | 120.2° | 120.0° |
| C41 | C44 | C47 | C50 | 54.8° | 60.0° |
| C44 | C41 | C38 | H381 | 176.7° | 179.9° |
| C44 | C41 | C38 | H382 | 64.2° | 60.0° |
| C44 | C41 | H411 | H412 | 119.2° | 120.0° |
| C41 | C44 | H441 | H442 | 119.3° | 120.0° |
| C41 | C44 | C47 | H471 | 65.5° | 60.0° |
| C41 | C44 | C47 | H472 | 175.0° | 180.0° |
| C44 | C47 | C50 | H471 | 120.3° | 120.1° |
| C44 | C47 | C50 | H472 | 120.2° | 120.0° |
| C44 | C47 | C50 | H501 | 64.7° | 60.0° |
| C44 | C47 | C50 | H502 | 176.3° | 180.0° |
| C47 | C44 | C41 | H411 | 65.3° | 60.0° |
| C47 | C44 | C41 | H412 | 175.2° | 180.0° |
| C47 | C44 | H441 | H442 | 119.3° | 120.0° |
| C44 | C47 | H471 | H472 | 119.2° | 120.0° |
| C47 | C50 | C36 | H36 | 63.5° | 60.0° |
| C47 | C50 | H501 | H502 | 118.6° | 120.1° |
| C50 | C47 | C44 | H441 | 175.0° | 180.0° |
| C50 | C47 | C44 | H442 | 65.5° | 60.0° |
| C50 | C47 | H471 | H472 | 119.2° | 119.9° |
| C53 | N54 | C56 | H54 | 180.0° | 179.8° |
| C53 | N54 | C56 | O57 | 179.9° | 179.7° |
| O57 | C56 | N54 | H54 | 0.1° | 0.1° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H09 | C09 | C11 | H11 | 0.3° | 0.1° |
| H15 | N15 | C17 | H17 | 157.0° | 144.9° |
| H17 | C17 | C19 | H191 | 177.0° | 177.7° |
| H17 | C17 | C19 | H192 | 57.2° | 57.6° |
| H17 | C17 | C30 | H30 | 175.5° | 177.8° |
| H191 | C19 | C22 | H221 | 59.5° | 59.2° |
| H191 | C19 | C22 | H222 | 179.3° | 179.1° |
| H192 | C19 | C22 | H221 | 60.3° | 60.8° |
| H192 | C19 | C22 | H222 | 59.5° | 59.1° |
| H30 | C30 | C27 | H271 | 56.1° | 59.2° |
| H30 | C30 | C27 | H272 | 175.7° | 179.2° |
| H221 | C22 | N25 | H25 | 62.2° | 57.6° |
| H222 | C22 | N25 | H25 | 178.0° | 177.6° |
| H25 | N25 | C27 | H271 | 60.2° | 57.7° |
| H25 | N25 | C27 | H272 | 179.8° | 177.6° |
| H331 | C33 | C36 | H36 | 174.7° | 65.0° |
| H332 | C33 | C36 | H36 | 65.5° | 175.1° |
| H36 | C36 | C38 | H381 | 57.2° | 60.0° |
| H36 | C36 | C38 | H382 | 176.3° | 180.0° |
| H36 | C36 | C50 | H501 | 176.1° | 180.0° |
| H36 | C36 | C50 | H502 | 57.0° | 60.0° |
| H381 | C38 | C41 | H411 | 56.5° | 60.0° |
| H381 | C38 | C41 | H412 | 63.0° | 60.0° |
| H382 | C38 | C41 | H411 | 175.6° | 180.0° |
| H382 | C38 | C41 | H412 | 56.1° | 60.0° |
| H501 | C50 | C47 | H471 | 175.1° | 180.0° |
| H501 | C50 | C47 | H472 | 55.6° | 60.0° |
| H502 | C50 | C47 | H471 | 56.0° | 59.9° |
| H502 | C50 | C47 | H472 | 63.5° | 60.0° |
| H411 | C41 | C44 | H441 | 54.9° | 60.0° |
| H411 | C41 | C44 | H442 | 174.5° | 180.0° |
| H412 | C41 | C44 | H441 | 64.6° | 60.0° |
| H412 | C41 | C44 | H442 | 55.0° | 60.0° |
| H441 | C44 | C47 | H471 | 54.7° | 60.0° |
| H441 | C44 | C47 | H472 | 64.8° | 60.0° |
| H442 | C44 | C47 | H471 | 174.2° | 180.0° |
| H442 | C44 | C47 | H472 | 54.8° | 60.0° |
