MP1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CU | N1 | sing | 2.11Å | 2.17Å | |
| CU | N2 | sing | 2.17Å | 1.96Å | |
| CU | N3 | sing | 2.10Å | 2.06Å | |
| CU | N4 | sing | 2.16Å | 2.15Å | |
| C1 | N1 | sing | 1.47Å | 1.60Å | |
| C1 | H11 | sing | 0.96Å | 1.10Å | |
| C1 | H12 | sing | 0.97Å | 1.10Å | |
| C1 | H13 | sing | 0.97Å | 1.10Å | |
| N1 | C11 | sing | 1.43Å | 1.50Å | Aromatic |
| N1 | C14 | sing | 1.42Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.49Å | Aromatic |
| C11 | C45 | sing | 1.39Å | 1.44Å | |
| C12 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | C16 | sing | 1.51Å | 1.57Å | |
| C13 | C14 | doub | 1.41Å | 1.52Å | Aromatic |
| C13 | C17 | sing | 1.51Å | 1.56Å | |
| C14 | C15 | sing | 1.39Å | 1.43Å | |
| C15 | C21 | doub | 1.44Å | 1.40Å | |
| C15 | H15 | sing | 0.94Å | 1.08Å | |
| C16 | H161 | sing | 0.97Å | 1.10Å | |
| C16 | H162 | sing | 0.97Å | 1.10Å | |
| C16 | H163 | sing | 0.97Å | 1.10Å | |
| C17 | C18 | sing | 1.52Å | 1.57Å | |
| C17 | H171 | sing | 0.99Å | 1.10Å | |
| C17 | H172 | sing | 0.99Å | 1.10Å | |
| C18 | H181 | sing | 0.97Å | 1.10Å | |
| C18 | H182 | sing | 0.97Å | 1.10Å | |
| C18 | H183 | sing | 0.97Å | 1.10Å | |
| N2 | C21 | sing | 1.37Å | 1.36Å | |
| N2 | C24 | doub | 1.35Å | 1.47Å | |
| C21 | C22 | sing | 1.36Å | 1.50Å | |
| C22 | C23 | doub | 1.37Å | 1.49Å | |
| C22 | C26 | sing | 1.51Å | 1.53Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | |
| C23 | C27 | sing | 1.51Å | 1.59Å | |
| C24 | C25 | sing | 1.40Å | 1.39Å | |
| C25 | C31 | doub | 1.41Å | 1.33Å | |
| C25 | H25 | sing | 0.95Å | 1.08Å | |
| C26 | H261 | sing | 0.97Å | 1.10Å | |
| C26 | H262 | sing | 0.97Å | 1.10Å | |
| C26 | H263 | sing | 0.97Å | 1.10Å | |
| C27 | C28 | sing | 1.52Å | 1.56Å | |
| C27 | H271 | sing | 0.98Å | 1.10Å | |
| C27 | H272 | sing | 0.98Å | 1.10Å | |
| C28 | H281 | sing | 0.98Å | 1.10Å | |
| C28 | H282 | sing | 0.98Å | 1.10Å | |
| C28 | H283 | sing | 0.97Å | 1.10Å | |
| N3 | C31 | sing | 1.37Å | 1.38Å | |
| N3 | C34 | sing | 1.37Å | 1.45Å | |
| C31 | C32 | sing | 1.38Å | 1.53Å | |
| C32 | C33 | doub | 1.36Å | 1.42Å | |
| C32 | C36 | sing | 1.51Å | 1.63Å | |
| C33 | C34 | sing | 1.38Å | 1.47Å | |
| C33 | C37 | sing | 1.51Å | 1.52Å | |
| C34 | C35 | doub | 1.40Å | 1.40Å | |
| C35 | C41 | sing | 1.40Å | 1.51Å | |
| C35 | H35 | sing | 0.95Å | 1.08Å | |
| C36 | H361 | sing | 0.97Å | 1.10Å | |
| C36 | H362 | sing | 0.97Å | 1.10Å | |
| C36 | H363 | sing | 0.97Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.50Å | |
| C37 | H371 | sing | 0.98Å | 1.10Å | |
| C37 | H372 | sing | 0.98Å | 1.10Å | |
| C38 | C39 | sing | 1.50Å | 1.54Å | |
| C38 | H381 | sing | 0.99Å | 1.10Å | |
| C38 | H382 | sing | 0.98Å | 1.10Å | |
| C39 | O31 | sing | 1.31Å | 1.25Å | |
| C39 | O32 | doub | 1.22Å | 1.24Å | |
| O31 | HO31 | sing | 0.88Å | 0.95Å | |
| N4 | C41 | doub | 1.35Å | 1.41Å | |
| N4 | C44 | sing | 1.38Å | 1.43Å | |
| C41 | C42 | sing | 1.39Å | 1.44Å | |
| C42 | C43 | doub | 1.36Å | 1.38Å | |
| C42 | C47 | sing | 1.51Å | 1.47Å | |
| C43 | C44 | sing | 1.37Å | 1.48Å | |
| C43 | C46 | sing | 1.51Å | 1.48Å | |
| C44 | C45 | doub | 1.44Å | 1.46Å | |
| C45 | H45 | sing | 0.94Å | 1.08Å | |
| C46 | H461 | sing | 0.97Å | 1.10Å | |
| C46 | H462 | sing | 0.97Å | 1.10Å | |
| C46 | H463 | sing | 0.97Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.58Å | |
| C47 | H471 | sing | 0.98Å | 1.10Å | |
| C47 | H472 | sing | 0.98Å | 1.10Å | |
| C48 | C49 | sing | 1.50Å | 1.52Å | |
| C48 | H481 | sing | 0.98Å | 1.10Å | |
| C48 | H482 | sing | 0.98Å | 1.10Å | |
| C49 | O41 | sing | 1.31Å | 1.24Å | |
| C49 | O42 | doub | 1.22Å | 1.25Å | |
| O41 | HO41 | sing | 0.88Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | CU | N2 | 90.9° | 90.7° |
| N1 | CU | N3 | 163.8° | 159.1° |
| N1 | CU | N4 | 84.0° | 89.8° |
| CU | N1 | C1 | 86.0° | 81.5° |
| CU | N1 | C11 | 121.1° | 107.4° |
| CU | N1 | C14 | 110.9° | 107.0° |
| N2 | CU | N3 | 88.8° | 87.7° |
| N2 | CU | N4 | 171.3° | 171.1° |
| CU | N2 | C21 | 130.3° | 126.1° |
| CU | N2 | C24 | 124.3° | 127.0° |
| N3 | CU | N4 | 94.0° | 88.6° |
| CU | N3 | C31 | 130.0° | 127.0° |
| CU | N3 | C34 | 125.7° | 125.9° |
| CU | N4 | C41 | 119.0° | 126.5° |
| CU | N4 | C44 | 133.1° | 126.9° |
| N1 | C1 | H11 | 109.5° | 110.7° |
| N1 | C1 | H12 | 109.5° | 110.6° |
| N1 | C1 | H13 | 109.5° | 108.9° |
| C1 | N1 | C11 | 112.1° | 126.5° |
| C1 | N1 | C14 | 119.5° | 123.5° |
| H11 | C1 | H12 | 109.5° | 109.2° |
| H11 | C1 | H13 | 109.4° | 108.6° |
| H12 | C1 | H13 | 109.4° | 108.7° |
| C11 | N1 | C14 | 106.9° | 104.5° |
| N1 | C11 | C12 | 109.6° | 109.4° |
| N1 | C11 | C45 | 128.1° | 125.7° |
| N1 | C14 | C13 | 109.4° | 108.3° |
| N1 | C14 | C15 | 128.6° | 126.1° |
| C12 | C11 | C45 | 122.0° | 122.5° |
| C11 | C12 | C13 | 105.4° | 108.2° |
| C11 | C12 | C16 | 122.7° | 123.8° |
| C11 | C45 | C44 | 118.5° | 124.7° |
| C11 | C45 | H45 | 120.8° | 116.8° |
| C13 | C12 | C16 | 131.9° | 128.0° |
| C12 | C13 | C14 | 108.7° | 107.0° |
| C12 | C13 | C17 | 131.2° | 127.8° |
| C12 | C16 | H161 | 109.5° | 110.2° |
| C12 | C16 | H162 | 109.5° | 109.8° |
| C12 | C16 | H163 | 109.5° | 109.7° |
| C14 | C13 | C17 | 120.1° | 125.2° |
| C13 | C14 | C15 | 122.0° | 123.2° |
| C13 | C17 | C18 | 109.5° | 112.7° |
| C13 | C17 | H171 | 109.5° | 110.6° |
| C13 | C17 | H172 | 109.5° | 112.1° |
| C14 | C15 | C21 | 123.7° | 125.2° |
| C14 | C15 | H15 | 118.1° | 116.2° |
| C21 | C15 | H15 | 118.2° | 118.6° |
| C15 | C21 | N2 | 122.1° | 118.8° |
| C15 | C21 | C22 | 127.9° | 131.1° |
| H161 | C16 | H162 | 109.5° | 108.6° |
| H161 | C16 | H163 | 109.5° | 109.2° |
| H162 | C16 | H163 | 109.5° | 109.4° |
| C18 | C17 | H171 | 109.5° | 107.7° |
| C18 | C17 | H172 | 109.5° | 108.3° |
| C17 | C18 | H181 | 109.5° | 109.6° |
| C17 | C18 | H182 | 109.5° | 109.6° |
| C17 | C18 | H183 | 109.5° | 109.6° |
| H171 | C17 | H172 | 109.4° | 105.1° |
| H181 | C18 | H182 | 109.5° | 109.3° |
| H181 | C18 | H183 | 109.5° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.3° |
| C21 | N2 | C24 | 105.4° | 106.1° |
| N2 | C21 | C22 | 109.9° | 110.1° |
| N2 | C24 | C23 | 114.3° | 109.4° |
| N2 | C24 | C25 | 128.9° | 122.5° |
| C21 | C22 | C23 | 108.0° | 107.0° |
| C21 | C22 | C26 | 125.3° | 126.8° |
| C23 | C22 | C26 | 126.6° | 126.3° |
| C22 | C23 | C24 | 102.4° | 107.4° |
| C22 | C23 | C27 | 136.6° | 126.1° |
| C22 | C26 | H261 | 109.5° | 109.7° |
| C22 | C26 | H262 | 109.5° | 110.1° |
| C22 | C26 | H263 | 109.5° | 109.5° |
| C24 | C23 | C27 | 121.0° | 126.5° |
| C23 | C24 | C25 | 116.8° | 128.0° |
| C23 | C27 | C28 | 117.1° | 112.7° |
| C23 | C27 | H271 | 107.5° | 109.8° |
| C23 | C27 | H272 | 107.5° | 109.3° |
| C24 | C25 | C31 | 123.3° | 130.4° |
| C24 | C25 | H25 | 118.3° | 114.0° |
| C31 | C25 | H25 | 118.3° | 115.6° |
| C25 | C31 | N3 | 124.4° | 123.7° |
| C25 | C31 | C32 | 119.6° | 127.1° |
| H261 | C26 | H262 | 109.4° | 109.0° |
| H261 | C26 | H263 | 109.5° | 109.2° |
| H262 | C26 | H263 | 109.5° | 109.2° |
| C28 | C27 | H271 | 107.5° | 108.9° |
| C28 | C27 | H272 | 107.5° | 108.8° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.6° |
| H271 | C27 | H272 | 109.5° | 107.1° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H281 | C28 | H283 | 109.4° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| C31 | N3 | C34 | 103.8° | 106.4° |
| N3 | C31 | C32 | 115.9° | 109.2° |
| N3 | C34 | C33 | 108.9° | 109.4° |
| N3 | C34 | C35 | 123.8° | 124.6° |
| C31 | C32 | C33 | 99.7° | 107.9° |
| C31 | C32 | C36 | 127.9° | 128.0° |
| C33 | C32 | C36 | 130.4° | 124.1° |
| C32 | C33 | C34 | 111.6° | 107.1° |
| C32 | C33 | C37 | 126.9° | 126.1° |
| C32 | C36 | H361 | 109.5° | 109.7° |
| C32 | C36 | H362 | 109.4° | 110.7° |
| C32 | C36 | H363 | 109.5° | 109.5° |
| C34 | C33 | C37 | 121.4° | 126.8° |
| C33 | C34 | C35 | 127.3° | 126.0° |
| C33 | C37 | C38 | 123.6° | 114.2° |
| C33 | C37 | H371 | 105.8° | 109.4° |
| C33 | C37 | H372 | 105.8° | 110.0° |
| C34 | C35 | C41 | 126.2° | 130.5° |
| C34 | C35 | H35 | 116.9° | 115.4° |
| C41 | C35 | H35 | 116.9° | 114.1° |
| C35 | C41 | N4 | 129.1° | 122.7° |
| C35 | C41 | C42 | 123.7° | 127.8° |
| H361 | C36 | H362 | 109.5° | 108.7° |
| H361 | C36 | H363 | 109.5° | 109.2° |
| H362 | C36 | H363 | 109.5° | 109.1° |
| C38 | C37 | H371 | 105.8° | 108.5° |
| C38 | C37 | H372 | 105.8° | 108.7° |
| C37 | C38 | C39 | 117.9° | 113.5° |
| C37 | C38 | H381 | 107.3° | 109.0° |
| C37 | C38 | H382 | 107.3° | 109.0° |
| H371 | C37 | H372 | 109.5° | 105.8° |
| C39 | C38 | H381 | 107.3° | 108.9° |
| C39 | C38 | H382 | 107.3° | 108.6° |
| C38 | C39 | O31 | 119.7° | 112.8° |
| C38 | C39 | O32 | 118.2° | 123.8° |
| H381 | C38 | H382 | 109.5° | 107.7° |
| O31 | C39 | O32 | 122.1° | 123.4° |
| C39 | O31 | HO31 | 109.5° | 112.0° |
| C41 | N4 | C44 | 107.8° | 106.1° |
| N4 | C41 | C42 | 107.1° | 109.4° |
| N4 | C44 | C43 | 108.2° | 110.0° |
| N4 | C44 | C45 | 124.5° | 119.0° |
| C41 | C42 | C43 | 111.7° | 107.4° |
| C41 | C42 | C47 | 120.6° | 126.5° |
| C43 | C42 | C47 | 127.7° | 126.1° |
| C42 | C43 | C44 | 105.0° | 107.0° |
| C42 | C43 | C46 | 120.8° | 126.0° |
| C42 | C47 | C48 | 106.1° | 114.3° |
| C42 | C47 | H471 | 110.3° | 109.8° |
| C42 | C47 | H472 | 110.3° | 109.2° |
| C44 | C43 | C46 | 134.1° | 126.9° |
| C43 | C44 | C45 | 127.2° | 131.0° |
| C43 | C46 | H461 | 109.5° | 110.1° |
| C43 | C46 | H462 | 109.4° | 109.6° |
| C43 | C46 | H463 | 109.5° | 109.5° |
| C44 | C45 | H45 | 120.7° | 118.5° |
| H461 | C46 | H462 | 109.5° | 108.9° |
| H461 | C46 | H463 | 109.5° | 109.3° |
| H462 | C46 | H463 | 109.5° | 109.3° |
| C48 | C47 | H471 | 110.3° | 108.7° |
| C48 | C47 | H472 | 110.3° | 108.4° |
| C47 | C48 | C49 | 115.9° | 113.6° |
| C47 | C48 | H481 | 107.9° | 109.0° |
| C47 | C48 | H482 | 107.8° | 108.9° |
| H471 | C47 | H472 | 109.4° | 106.1° |
| C49 | C48 | H481 | 107.8° | 108.9° |
| C49 | C48 | H482 | 107.8° | 108.6° |
| C48 | C49 | O41 | 116.3° | 112.8° |
| C48 | C49 | O42 | 120.5° | 123.7° |
| H481 | C48 | H482 | 109.5° | 107.7° |
| O41 | C49 | O42 | 123.1° | 123.5° |
| C49 | O41 | HO41 | 109.5° | 112.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | CU | N2 | N3 | 163.8° | 159.1° |
| N1 | CU | N2 | N4 | 54.5° | 93.1° |
| N1 | CU | N3 | N4 | 82.4° | 85.8° |
| CU | N1 | C1 | C11 | 122.1° | 105.4° |
| CU | N1 | C1 | C14 | 111.8° | 104.9° |
| CU | N1 | C1 | H11 | 180.0° | 39.3° |
| CU | N1 | C1 | H12 | 60.0° | 81.9° |
| CU | N1 | C1 | H13 | 60.0° | 158.7° |
| CU | N1 | C11 | C14 | 128.2° | 113.5° |
| CU | N1 | C11 | C12 | 129.2° | 97.7° |
| CU | N1 | C11 | C45 | 44.6° | 65.1° |
| CU | N1 | C14 | C13 | 135.0° | 98.2° |
| CU | N1 | C14 | C15 | 44.9° | 64.5° |
| N1 | CU | N2 | C21 | 16.4° | 7.6° |
| N1 | CU | N2 | C24 | 164.8° | 160.6° |
| N1 | CU | N3 | C31 | 92.9° | 96.5° |
| N1 | CU | N3 | C34 | 95.5° | 94.2° |
| N1 | CU | N4 | C41 | 173.9° | 159.8° |
| N1 | CU | N4 | C44 | 10.0° | 10.7° |
| N2 | CU | N3 | N4 | 171.7° | 171.9° |
| N2 | CU | N1 | C1 | 87.0° | 85.1° |
| N2 | CU | N1 | C11 | 159.5° | 149.3° |
| N2 | CU | N1 | C14 | 33.1° | 37.5° |
| CU | N2 | C21 | C15 | 0.7° | 12.6° |
| CU | N2 | C21 | C24 | 179.0° | 170.2° |
| CU | N2 | C21 | C22 | 177.1° | 169.4° |
| CU | N2 | C24 | C23 | 178.5° | 168.7° |
| CU | N2 | C24 | C25 | 0.1° | 8.3° |
| N2 | CU | N3 | C31 | 3.6° | 10.4° |
| N2 | CU | N3 | C34 | 175.2° | 179.6° |
| N2 | CU | N4 | C41 | 118.9° | 66.7° |
| N2 | CU | N4 | C44 | 64.9° | 103.9° |
| N3 | CU | N1 | C1 | 2.1° | 0.5° |
| N3 | CU | N1 | C11 | 111.4° | 125.1° |
| N3 | CU | N1 | C14 | 122.2° | 123.1° |
| N3 | CU | N2 | C21 | 179.8° | 166.7° |
| N3 | CU | N2 | C24 | 1.0° | 1.5° |
| CU | N3 | C31 | C25 | 5.1° | 10.2° |
| CU | N3 | C31 | C34 | 173.0° | 170.9° |
| CU | N3 | C31 | C32 | 172.3° | 171.4° |
| CU | N3 | C34 | C33 | 173.7° | 171.4° |
| CU | N3 | C34 | C35 | 5.7° | 9.3° |
| N3 | CU | N4 | C41 | 10.0° | 0.7° |
| N3 | CU | N4 | C44 | 173.8° | 169.9° |
| N4 | CU | N1 | C1 | 85.9° | 86.1° |
| N4 | CU | N1 | C11 | 27.6° | 39.6° |
| N4 | CU | N1 | C14 | 154.0° | 151.4° |
| N4 | CU | N2 | C21 | 70.9° | 100.6° |
| N4 | CU | N2 | C24 | 110.3° | 67.5° |
| N4 | CU | N3 | C31 | 175.3° | 177.7° |
| N4 | CU | N3 | C34 | 13.0° | 8.5° |
| CU | N4 | C41 | C35 | 0.5° | 7.0° |
| CU | N4 | C41 | C44 | 177.1° | 172.2° |
| CU | N4 | C41 | C42 | 176.7° | 170.7° |
| CU | N4 | C44 | C43 | 178.0° | 171.6° |
| CU | N4 | C44 | C45 | 0.3° | 10.1° |
| N1 | C1 | H11 | H12 | 120.0° | 122.1° |
| N1 | C1 | H11 | H13 | 120.0° | 119.5° |
| N1 | C1 | H12 | H13 | 120.0° | 119.5° |
| C1 | N1 | C11 | C14 | 132.7° | 154.3° |
| C1 | N1 | C11 | C12 | 131.7° | 170.1° |
| C1 | N1 | C11 | C45 | 54.4° | 27.1° |
| C1 | N1 | C14 | C13 | 127.5° | 170.8° |
| C1 | N1 | C14 | C15 | 52.6° | 26.5° |
| H11 | C1 | H12 | H13 | 120.0° | 118.4° |
| H11 | C1 | N1 | C11 | 57.9° | 144.7° |
| H11 | C1 | N1 | C14 | 68.2° | 65.5° |
| H12 | C1 | N1 | C11 | 62.1° | 23.5° |
| H12 | C1 | N1 | C14 | 171.8° | 173.2° |
| H13 | C1 | N1 | C11 | 177.9° | 95.9° |
| H13 | C1 | N1 | C14 | 51.8° | 53.8° |
| N1 | C11 | C12 | C45 | 174.3° | 163.4° |
| N1 | C11 | C12 | C13 | 0.5° | 10.0° |
| N1 | C11 | C12 | C16 | 178.9° | 171.5° |
| C11 | N1 | C14 | C13 | 1.1° | 15.6° |
| C11 | N1 | C14 | C15 | 178.8° | 178.3° |
| N1 | C11 | C45 | C44 | 28.6° | 43.0° |
| N1 | C11 | C45 | H45 | 151.5° | 134.2° |
| C14 | N1 | C11 | C12 | 1.0° | 15.8° |
| C14 | N1 | C11 | C45 | 172.8° | 178.6° |
| N1 | C14 | C13 | C12 | 0.8° | 10.0° |
| N1 | C14 | C13 | C15 | 179.9° | 163.3° |
| N1 | C14 | C13 | C17 | 178.6° | 171.6° |
| N1 | C14 | C15 | C21 | 26.3° | 44.5° |
| N1 | C14 | C15 | H15 | 153.7° | 134.7° |
| C11 | C12 | C13 | C16 | 178.2° | 178.5° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | C17 | 179.2° | 178.3° |
| C11 | C12 | C16 | H161 | 180.0° | 172.0° |
| C11 | C12 | C16 | H162 | 60.0° | 52.4° |
| C11 | C12 | C16 | H163 | 60.0° | 67.8° |
| C12 | C11 | C45 | C44 | 144.6° | 117.7° |
| C12 | C11 | C45 | H45 | 35.4° | 65.1° |
| C45 | C11 | C12 | C13 | 173.8° | 173.4° |
| C45 | C11 | C12 | C16 | 4.6° | 8.0° |
| C11 | C45 | C44 | N4 | 3.9° | 2.9° |
| C11 | C45 | C44 | C43 | 173.3° | 179.2° |
| C11 | C45 | C44 | H45 | 180.0° | 177.2° |
| C12 | C13 | C14 | C17 | 179.4° | 178.4° |
| C12 | C13 | C14 | C15 | 179.1° | 173.3° |
| C13 | C12 | C16 | H161 | 2.1° | 6.3° |
| C13 | C12 | C16 | H162 | 117.9° | 125.8° |
| C13 | C12 | C16 | H163 | 122.1° | 113.9° |
| C12 | C13 | C17 | C18 | 58.0° | 90.9° |
| C12 | C13 | C17 | H171 | 178.0° | 29.7° |
| C12 | C13 | C17 | H172 | 62.0° | 146.6° |
| C16 | C12 | C13 | C14 | 178.0° | 178.5° |
| C16 | C12 | C13 | C17 | 2.6° | 0.1° |
| C12 | C16 | H161 | H162 | 120.0° | 120.3° |
| C12 | C16 | H161 | H163 | 120.0° | 120.5° |
| C12 | C16 | H162 | H163 | 120.0° | 120.4° |
| C13 | C14 | C15 | C21 | 153.6° | 115.8° |
| C13 | C14 | C15 | H15 | 26.4° | 65.0° |
| C14 | C13 | C17 | C18 | 121.3° | 87.1° |
| C14 | C13 | C17 | H171 | 1.3° | 152.2° |
| C14 | C13 | C17 | H172 | 118.7° | 35.3° |
| C17 | C13 | C14 | C15 | 1.4° | 8.3° |
| C13 | C17 | C18 | H171 | 120.0° | 122.3° |
| C13 | C17 | C18 | H172 | 120.0° | 124.6° |
| C13 | C17 | H171 | H172 | 120.0° | 121.1° |
| C13 | C17 | C18 | H181 | 180.0° | 180.0° |
| C13 | C17 | C18 | H182 | 60.0° | 60.0° |
| C13 | C17 | C18 | H183 | 60.0° | 59.9° |
| C14 | C15 | C21 | H15 | 180.0° | 179.2° |
| C14 | C15 | C21 | N2 | 2.3° | 3.1° |
| C14 | C15 | C21 | C22 | 179.8° | 179.4° |
| C15 | C21 | N2 | C22 | 177.9° | 178.0° |
| C15 | C21 | N2 | C24 | 179.7° | 177.3° |
| C15 | C21 | C22 | C23 | 179.7° | 177.9° |
| C15 | C21 | C22 | C26 | 1.2° | 2.3° |
| H15 | C15 | C21 | N2 | 177.7° | 177.8° |
| H15 | C15 | C21 | C22 | 0.2° | 0.3° |
| H161 | C16 | H162 | H163 | 120.0° | 119.0° |
| C18 | C17 | H171 | H172 | 120.0° | 115.3° |
| C17 | C18 | H181 | H182 | 120.0° | 120.2° |
| C17 | C18 | H181 | H183 | 120.0° | 120.2° |
| C17 | C18 | H182 | H183 | 120.0° | 120.1° |
| H171 | C17 | C18 | H181 | 60.0° | 57.7° |
| H171 | C17 | C18 | H182 | 180.0° | 177.7° |
| H171 | C17 | C18 | H183 | 60.0° | 62.4° |
| H172 | C17 | C18 | H181 | 60.0° | 55.5° |
| H172 | C17 | C18 | H182 | 60.0° | 64.5° |
| H172 | C17 | C18 | H183 | NaN° | 175.5° |
| H181 | C18 | H182 | H183 | 120.0° | 119.7° |
| N2 | C21 | C22 | C23 | 2.5° | 0.2° |
| N2 | C21 | C22 | C26 | 178.9° | 180.0° |
| C21 | N2 | C24 | C23 | 0.6° | 1.4° |
| C21 | N2 | C24 | C25 | 179.0° | 178.4° |
| C24 | N2 | C21 | C22 | 1.9° | 0.7° |
| N2 | C24 | C23 | C22 | 1.0° | 1.5° |
| N2 | C24 | C23 | C25 | 178.6° | 176.8° |
| N2 | C24 | C23 | C27 | 179.1° | 178.6° |
| N2 | C24 | C25 | C31 | 0.5° | 13.1° |
| N2 | C24 | C25 | H25 | 179.5° | 163.9° |
| C21 | C22 | C23 | C26 | 178.5° | 179.8° |
| C21 | C22 | C23 | C24 | 2.0° | 1.0° |
| C21 | C22 | C23 | C27 | 179.7° | 179.1° |
| C21 | C22 | C26 | H261 | 180.0° | 128.4° |
| C21 | C22 | C26 | H262 | 60.0° | 8.4° |
| C21 | C22 | C26 | H263 | 60.0° | 111.8° |
| C22 | C23 | C24 | C27 | 178.2° | 179.8° |
| C22 | C23 | C24 | C25 | 177.7° | 178.3° |
| C23 | C22 | C26 | H261 | 1.7° | 51.4° |
| C23 | C22 | C26 | H262 | 121.7° | 171.5° |
| C23 | C22 | C26 | H263 | 118.3° | 68.4° |
| C22 | C23 | C27 | C28 | 79.3° | 92.6° |
| C22 | C23 | C27 | H271 | 159.6° | 29.0° |
| C22 | C23 | C27 | H272 | 41.8° | 146.2° |
| C26 | C22 | C23 | C24 | 179.5° | 179.1° |
| C26 | C22 | C23 | C27 | 1.8° | 0.7° |
| C22 | C26 | H261 | H262 | 120.0° | 120.7° |
| C22 | C26 | H261 | H263 | 120.0° | 120.0° |
| C22 | C26 | H262 | H263 | 120.0° | 120.3° |
| C23 | C24 | C25 | C31 | 177.9° | 163.4° |
| C23 | C24 | C25 | H25 | 2.1° | 19.7° |
| C24 | C23 | C27 | C28 | 103.4° | 87.5° |
| C24 | C23 | C27 | H271 | 17.7° | 150.8° |
| C24 | C23 | C27 | H272 | 135.6° | 33.6° |
| C27 | C23 | C24 | C25 | 0.5° | 1.8° |
| C23 | C27 | C28 | H271 | 121.1° | 122.1° |
| C23 | C27 | C28 | H272 | 121.1° | 121.4° |
| C23 | C27 | H271 | H272 | 116.5° | 118.6° |
| C23 | C27 | C28 | H281 | 180.0° | 180.0° |
| C23 | C27 | C28 | H282 | 60.0° | 60.0° |
| C23 | C27 | C28 | H283 | 60.0° | 59.9° |
| C24 | C25 | C31 | H25 | 180.0° | 176.9° |
| C24 | C25 | C31 | N3 | 3.1° | 3.2° |
| C24 | C25 | C31 | C32 | 174.2° | 174.9° |
| C25 | C31 | N3 | C32 | 177.4° | 178.4° |
| C25 | C31 | N3 | C34 | 178.2° | 178.9° |
| C25 | C31 | C32 | C33 | 179.0° | 178.8° |
| C25 | C31 | C32 | C36 | 13.9° | 2.1° |
| H25 | C25 | C31 | N3 | 176.9° | 173.7° |
| H25 | C25 | C31 | C32 | 5.8° | 8.2° |
| H261 | C26 | H262 | H263 | 120.0° | 119.3° |
| C28 | C27 | H271 | H272 | 116.6° | 117.6° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.2° |
| C27 | C28 | H282 | H283 | 120.0° | 120.1° |
| H271 | C27 | C28 | H281 | 58.9° | 57.9° |
| H271 | C27 | C28 | H282 | 178.9° | 177.8° |
| H271 | C27 | C28 | H283 | 61.1° | 62.2° |
| H272 | C27 | C28 | H281 | 58.9° | 58.6° |
| H272 | C27 | C28 | H282 | 61.1° | 61.4° |
| H272 | C27 | C28 | H283 | 178.9° | 178.6° |
| H281 | C28 | H282 | H283 | 120.0° | 119.9° |
| N3 | C31 | C32 | C33 | 1.5° | 0.5° |
| N3 | C31 | C32 | C36 | 163.7° | 179.5° |
| C31 | N3 | C34 | C33 | 0.3° | 0.3° |
| C31 | N3 | C34 | C35 | 179.1° | 179.6° |
| C34 | N3 | C31 | C32 | 0.8° | 0.5° |
| N3 | C34 | C33 | C32 | 1.3° | 0.0° |
| N3 | C34 | C33 | C35 | 179.4° | 179.3° |
| N3 | C34 | C33 | C37 | 178.9° | 179.5° |
| N3 | C34 | C35 | C41 | 9.2° | 0.9° |
| N3 | C34 | C35 | H35 | 170.8° | 176.6° |
| C31 | C32 | C33 | C36 | 164.6° | 179.1° |
| C31 | C32 | C33 | C34 | 1.6° | 0.3° |
| C31 | C32 | C33 | C37 | 179.0° | 179.2° |
| C31 | C32 | C36 | H361 | 180.0° | 126.7° |
| C31 | C32 | C36 | H362 | 60.0° | 6.7° |
| C31 | C32 | C36 | H363 | 60.0° | 113.6° |
| C32 | C33 | C34 | C37 | 177.6° | 179.4° |
| C32 | C33 | C34 | C35 | 178.1° | 179.3° |
| C33 | C32 | C36 | H361 | 19.4° | 54.4° |
| C33 | C32 | C36 | H362 | 100.6° | 174.3° |
| C33 | C32 | C36 | H363 | 139.4° | 65.4° |
| C32 | C33 | C37 | C38 | 91.7° | 93.6° |
| C32 | C33 | C37 | H371 | 146.3° | 144.6° |
| C32 | C33 | C37 | H372 | 30.2° | 28.8° |
| C36 | C32 | C33 | C34 | 163.0° | 179.4° |
| C36 | C32 | C33 | C37 | 14.4° | 0.0° |
| C32 | C36 | H361 | H362 | 120.0° | 121.1° |
| C32 | C36 | H361 | H363 | 120.0° | 119.9° |
| C32 | C36 | H362 | H363 | 120.0° | 120.5° |
| C33 | C34 | C35 | C41 | 171.5° | 178.4° |
| C33 | C34 | C35 | H35 | 8.5° | 4.2° |
| C34 | C33 | C37 | C38 | 91.0° | 85.7° |
| C34 | C33 | C37 | H371 | 30.9° | 36.0° |
| C34 | C33 | C37 | H372 | 147.0° | 151.8° |
| C37 | C33 | C34 | C35 | 0.4° | 1.2° |
| C33 | C37 | C38 | H371 | 121.9° | 122.2° |
| C33 | C37 | C38 | H372 | 121.9° | 123.2° |
| C33 | C37 | H371 | H372 | 113.6° | 118.4° |
| C33 | C37 | C38 | C39 | 179.2° | 170.9° |
| C33 | C37 | C38 | H381 | 59.6° | 67.6° |
| C33 | C37 | C38 | H382 | 58.0° | 49.7° |
| C34 | C35 | C41 | H35 | 180.0° | 177.5° |
| C34 | C35 | C41 | N4 | 12.1° | 9.6° |
| C34 | C35 | C41 | C42 | 171.1° | 167.6° |
| C35 | C41 | N4 | C42 | 177.1° | 177.7° |
| C35 | C41 | N4 | C44 | 177.6° | 179.2° |
| C35 | C41 | C42 | C43 | 179.7° | 179.4° |
| C35 | C41 | C42 | C47 | 0.5° | 1.8° |
| H35 | C35 | C41 | N4 | 167.9° | 167.8° |
| H35 | C35 | C41 | C42 | 8.9° | 14.9° |
| H361 | C36 | H362 | H363 | 120.0° | 119.0° |
| C38 | C37 | H371 | H372 | 113.7° | 116.5° |
| C37 | C38 | C39 | H381 | 121.2° | 121.6° |
| C37 | C38 | C39 | H382 | 121.2° | 121.4° |
| C37 | C38 | H381 | H382 | 116.1° | 118.1° |
| C37 | C38 | C39 | O31 | 104.4° | 86.0° |
| C37 | C38 | C39 | O32 | 76.8° | 94.0° |
| H371 | C37 | C38 | C39 | 57.3° | 48.6° |
| H371 | C37 | C38 | H381 | 178.5° | 170.2° |
| H371 | C37 | C38 | H382 | 63.9° | 72.5° |
| H372 | C37 | C38 | C39 | 58.8° | 66.0° |
| H372 | C37 | C38 | H381 | 62.4° | 55.6° |
| H372 | C37 | C38 | H382 | 180.0° | 172.9° |
| C39 | C38 | H381 | H382 | 116.2° | 117.6° |
| C38 | C39 | O31 | O32 | 178.7° | 179.9° |
| C38 | C39 | O31 | HO31 | 178.6° | 180.0° |
| H381 | C38 | C39 | O31 | 16.8° | 35.6° |
| H381 | C38 | C39 | O32 | 162.0° | 144.4° |
| H382 | C38 | C39 | O31 | 134.4° | 152.6° |
| H382 | C38 | C39 | O32 | 44.3° | 27.3° |
| O32 | C39 | O31 | HO31 | 0.0° | 0.1° |
| N4 | C41 | C42 | C43 | 2.3° | 1.8° |
| N4 | C41 | C42 | C47 | 176.9° | 179.4° |
| C41 | N4 | C44 | C43 | 1.5° | 0.6° |
| C41 | N4 | C44 | C45 | 176.2° | 177.8° |
| C44 | N4 | C41 | C42 | 0.4° | 1.4° |
| N4 | C44 | C43 | C42 | 2.8° | 0.5° |
| N4 | C44 | C43 | C45 | 177.6° | 178.1° |
| N4 | C44 | C43 | C46 | 179.8° | 179.8° |
| N4 | C44 | C45 | H45 | 176.1° | 179.9° |
| C41 | C42 | C43 | C47 | 179.1° | 178.9° |
| C41 | C42 | C43 | C44 | 3.1° | 1.4° |
| C41 | C42 | C43 | C46 | 179.4° | 179.3° |
| C41 | C42 | C47 | C48 | 84.8° | 88.9° |
| C41 | C42 | C47 | H471 | 34.7° | 148.7° |
| C41 | C42 | C47 | H472 | 155.7° | 32.7° |
| C42 | C43 | C44 | C46 | 177.0° | 179.3° |
| C42 | C43 | C44 | C45 | 174.8° | 178.6° |
| C42 | C43 | C46 | H461 | 180.0° | 171.8° |
| C42 | C43 | C46 | H462 | 60.0° | 51.9° |
| C42 | C43 | C46 | H463 | 60.0° | 68.0° |
| C43 | C42 | C47 | C48 | 94.3° | 89.7° |
| C43 | C42 | C47 | H471 | 146.2° | 32.7° |
| C43 | C42 | C47 | H472 | 25.2° | 148.6° |
| C47 | C42 | C43 | C44 | 176.0° | 179.8° |
| C47 | C42 | C43 | C46 | 1.5° | 0.5° |
| C42 | C47 | C48 | H471 | 119.5° | 123.0° |
| C42 | C47 | C48 | H472 | 119.5° | 122.1° |
| C42 | C47 | H471 | H472 | 121.5° | 117.9° |
| C42 | C47 | C48 | C49 | 178.7° | 176.7° |
| C42 | C47 | C48 | H481 | 60.4° | 61.7° |
| C42 | C47 | C48 | H482 | 57.8° | 55.6° |
| C43 | C44 | C45 | H45 | 6.7° | 2.0° |
| C44 | C43 | C46 | H461 | 3.4° | 7.4° |
| C44 | C43 | C46 | H462 | 116.6° | 127.2° |
| C44 | C43 | C46 | H463 | 123.4° | 112.8° |
| C46 | C43 | C44 | C45 | 2.2° | 2.1° |
| C43 | C46 | H461 | H462 | 120.0° | 120.3° |
| C43 | C46 | H461 | H463 | 120.0° | 120.4° |
| C43 | C46 | H462 | H463 | 120.0° | 120.1° |
| H461 | C46 | H462 | H463 | 120.0° | 119.4° |
| C48 | C47 | H471 | H472 | 121.6° | 116.4° |
| C47 | C48 | C49 | H481 | 121.0° | 121.7° |
| C47 | C48 | C49 | H482 | 120.9° | 121.3° |
| C47 | C48 | H481 | H482 | 117.1° | 118.0° |
| C47 | C48 | C49 | O41 | 92.6° | 86.0° |
| C47 | C48 | C49 | O42 | 90.1° | 93.9° |
| H471 | C47 | C48 | C49 | 59.2° | 53.7° |
| H471 | C47 | C48 | H481 | 179.9° | 175.3° |
| H471 | C47 | C48 | H482 | 61.7° | 67.5° |
| H472 | C47 | C48 | C49 | 61.8° | 61.2° |
| H472 | C47 | C48 | H481 | 59.1° | 60.4° |
| H472 | C47 | C48 | H482 | 177.2° | 177.7° |
| C49 | C48 | H481 | H482 | 117.1° | 117.6° |
| C48 | C49 | O41 | O42 | 177.2° | 179.9° |
| C48 | C49 | O41 | HO41 | 177.2° | 180.0° |
| H481 | C48 | C49 | O41 | 146.4° | 35.7° |
| H481 | C48 | C49 | O42 | 30.9° | 144.4° |
| H482 | C48 | C49 | O41 | 28.3° | 152.7° |
| H482 | C48 | C49 | O42 | 149.0° | 27.4° |
| O42 | C49 | O41 | HO41 | 0.0° | 0.1° |
