Q65
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C32 | sing | 1.53Å | 1.52Å | |
| F42 | B26 | sing | 1.37Å | 1.46Å | |
| C37 | C35 | sing | 1.51Å | 1.51Å | |
| F41 | B26 | sing | 1.37Å | 1.43Å | |
| C32 | N27 | sing | 1.47Å | 1.47Å | |
| C32 | C31 | sing | 1.55Å | 1.52Å | |
| B26 | N27 | sing | 1.51Å | 1.49Å | |
| B26 | N25 | sing | 1.51Å | 1.49Å | |
| C35 | N25 | sing | 1.36Å | 1.35Å | Aromatic |
| C35 | C34 | doub | 1.35Å | 1.40Å | Aromatic |
| N27 | C28 | sing | 1.40Å | 1.36Å | |
| N25 | C24 | sing | 1.36Å | 1.34Å | Aromatic |
| C31 | C29 | sing | 1.51Å | 1.39Å | |
| C34 | C33 | sing | 1.41Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.32Å | 1.49Å | |
| C28 | C23 | sing | 1.52Å | 1.49Å | |
| C29 | C40 | sing | 1.51Å | 1.51Å | |
| C24 | C33 | doub | 1.35Å | 1.47Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.48Å | |
| C33 | C38 | sing | 1.51Å | 1.50Å | |
| C23 | C22 | sing | 1.53Å | 1.50Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | N16 | sing | 1.34Å | 1.36Å | Aromatic |
| C18 | C17 | doub | 1.35Å | 1.40Å | Aromatic |
| N16 | N15 | doub | 1.29Å | 1.40Å | Aromatic |
| C17 | N14 | sing | 1.35Å | 1.34Å | Aromatic |
| N15 | N14 | sing | 1.29Å | 1.40Å | Aromatic |
| N14 | C13 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C7 | O8 | sing | 1.42Å | 1.44Å | |
| C7 | C1 | sing | 1.52Å | 1.52Å | |
| C13 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| O8 | C1 | sing | 1.44Å | 1.43Å | |
| C1 | C3 | sing | 1.52Å | 1.53Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C5 | O12 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | O9 | sing | 1.43Å | 1.43Å | |
| C4 | O11 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C32 | N27 | 116.9° | 110.9° |
| C36 | C32 | C31 | 117.6° | 110.9° |
| C36 | C32 | H32 | 106.4° | 110.8° |
| C32 | C36 | H362 | 109.5° | 109.5° |
| C32 | C36 | H36 | 109.5° | 109.4° |
| C32 | C36 | H361 | 109.5° | 109.5° |
| F42 | B26 | F41 | 100.8° | 109.8° |
| F42 | B26 | N27 | 108.6° | 109.7° |
| F42 | B26 | N25 | 107.9° | 109.7° |
| C37 | C35 | N25 | 130.3° | 125.9° |
| C37 | C35 | C34 | 117.2° | 125.9° |
| C35 | C37 | H372 | 109.5° | 109.5° |
| C35 | C37 | H37 | 109.5° | 109.5° |
| C35 | C37 | H371 | 109.5° | 109.5° |
| F41 | B26 | N27 | 110.7° | 109.6° |
| F41 | B26 | N25 | 111.7° | 109.6° |
| N27 | C32 | C31 | 101.7° | 102.1° |
| C32 | N27 | B26 | 123.1° | 126.6° |
| C32 | N27 | C28 | 115.0° | 108.2° |
| N27 | C32 | H32 | 107.1° | 110.9° |
| C32 | C31 | C29 | 107.6° | 102.9° |
| C32 | C31 | H31 | 109.9° | 110.8° |
| C32 | C31 | H8 | 109.9° | 110.9° |
| C31 | C32 | H32 | 106.4° | 110.8° |
| N27 | B26 | N25 | 116.0° | 108.4° |
| B26 | N27 | C28 | 121.1° | 125.1° |
| B26 | N25 | C35 | 126.2° | 125.9° |
| B26 | N25 | C24 | 123.2° | 125.2° |
| N25 | C35 | C34 | 112.5° | 108.1° |
| C35 | N25 | C24 | 110.4° | 108.8° |
| C35 | C34 | C33 | 102.2° | 107.5° |
| C35 | C34 | H34 | 128.9° | 126.2° |
| N27 | C28 | C29 | 104.2° | 112.3° |
| N27 | C28 | C23 | 121.0° | 122.7° |
| N25 | C24 | C33 | 103.6° | 108.1° |
| N25 | C24 | C23 | 120.0° | 126.0° |
| C31 | C29 | C28 | 111.1° | 109.1° |
| C31 | C29 | C40 | 123.7° | 125.5° |
| C29 | C31 | H31 | 109.9° | 110.7° |
| C29 | C31 | H8 | 109.9° | 110.7° |
| C34 | C33 | C24 | 111.3° | 107.4° |
| C34 | C33 | C38 | 125.2° | 126.2° |
| C33 | C34 | H34 | 128.9° | 126.3° |
| C29 | C28 | C23 | 134.8° | 124.8° |
| C28 | C29 | C40 | 125.2° | 125.4° |
| C28 | C23 | C24 | 118.0° | 109.1° |
| C28 | C23 | C22 | 120.7° | 109.5° |
| C28 | C23 | H2 | 91.0° | 109.5° |
| C29 | C40 | H401 | 109.5° | 109.5° |
| C29 | C40 | H402 | 109.5° | 109.5° |
| C29 | C40 | H40 | 109.5° | 109.5° |
| C33 | C24 | C23 | 136.3° | 125.9° |
| C24 | C33 | C38 | 123.5° | 126.3° |
| C24 | C23 | C22 | 121.2° | 109.6° |
| C24 | C23 | H2 | 91.0° | 109.6° |
| C33 | C38 | H382 | 109.5° | 109.5° |
| C33 | C38 | H38 | 109.5° | 109.5° |
| C33 | C38 | H381 | 109.5° | 109.5° |
| C23 | C22 | C21 | 105.0° | 109.5° |
| C23 | C22 | H221 | 110.6° | 109.5° |
| C23 | C22 | H22 | 110.6° | 109.4° |
| C22 | C23 | H2 | 90.9° | 109.5° |
| C22 | C21 | C20 | 113.6° | 109.5° |
| C22 | C21 | H211 | 108.4° | 109.5° |
| C22 | C21 | H21 | 108.4° | 109.5° |
| C21 | C22 | H221 | 110.6° | 109.5° |
| C21 | C22 | H22 | 110.6° | 109.5° |
| C21 | C20 | C19 | 112.2° | 109.5° |
| C21 | C20 | H201 | 108.8° | 109.4° |
| C21 | C20 | H20 | 108.7° | 109.5° |
| C20 | C21 | H211 | 108.4° | 109.4° |
| C20 | C21 | H21 | 108.4° | 109.5° |
| C20 | C19 | C18 | 108.7° | 109.4° |
| C20 | C19 | H191 | 109.6° | 109.5° |
| C20 | C19 | H19 | 109.7° | 109.5° |
| C19 | C20 | H201 | 108.8° | 109.4° |
| C19 | C20 | H20 | 108.8° | 109.5° |
| C19 | C18 | N16 | 124.6° | 126.7° |
| C19 | C18 | C17 | 126.2° | 126.7° |
| C18 | C19 | H191 | 109.7° | 109.5° |
| C18 | C19 | H19 | 109.6° | 109.4° |
| N16 | C18 | C17 | 109.3° | 106.5° |
| C18 | N16 | N15 | 108.6° | 108.9° |
| C18 | C17 | N14 | 106.1° | 106.2° |
| C18 | C17 | H17 | 127.0° | 126.9° |
| N16 | N15 | N14 | 104.4° | 110.2° |
| C17 | N14 | N15 | 111.7° | 108.3° |
| C17 | N14 | C13 | 133.7° | 125.9° |
| N14 | C17 | H17 | 127.0° | 126.9° |
| N15 | N14 | C13 | 114.5° | 125.8° |
| N14 | C13 | C6 | 109.3° | 109.5° |
| N14 | C13 | H131 | 109.5° | 109.5° |
| N14 | C13 | H13 | 109.5° | 109.5° |
| C6 | C7 | O8 | 116.3° | 120.6° |
| C6 | C7 | C1 | 119.9° | 120.1° |
| C7 | C6 | C13 | 112.0° | 108.8° |
| C7 | C6 | C5 | 112.5° | 112.7° |
| C7 | C6 | H6 | 107.1° | 108.8° |
| C6 | C7 | H7 | 116.1° | 114.8° |
| O8 | C7 | C1 | 57.7° | 58.4° |
| C7 | O8 | C1 | 64.1° | 64.3° |
| O8 | C7 | H7 | 118.0° | 116.1° |
| C7 | C1 | O8 | 58.3° | 57.4° |
| C7 | C1 | C3 | 120.6° | 120.7° |
| C7 | C1 | H1 | 116.8° | 117.3° |
| C1 | C7 | H7 | 116.3° | 115.5° |
| C13 | C6 | C5 | 110.5° | 108.9° |
| C13 | C6 | H6 | 107.1° | 108.8° |
| C6 | C13 | H131 | 109.5° | 109.4° |
| C6 | C13 | H13 | 109.5° | 109.5° |
| C6 | C5 | C4 | 110.2° | 112.9° |
| C6 | C5 | O12 | 109.1° | 108.7° |
| C6 | C5 | H5 | 108.1° | 108.7° |
| C5 | C6 | H6 | 107.2° | 108.8° |
| O8 | C1 | C3 | 112.8° | 116.1° |
| O8 | C1 | H1 | 118.7° | 117.4° |
| C1 | C3 | C4 | 110.0° | 112.3° |
| C1 | C3 | O9 | 108.9° | 108.9° |
| C3 | C1 | H1 | 116.7° | 115.5° |
| C1 | C3 | H3 | 107.9° | 109.0° |
| C4 | C5 | O12 | 112.1° | 108.8° |
| C5 | C4 | C3 | 110.0° | 112.9° |
| C5 | C4 | O11 | 110.2° | 108.8° |
| C4 | C5 | H5 | 108.1° | 108.8° |
| C5 | C4 | H4 | 108.5° | 108.9° |
| O12 | C5 | H5 | 109.3° | 108.8° |
| C5 | O12 | HO12 | 109.5° | 114.0° |
| C4 | C3 | O9 | 112.7° | 109.3° |
| C3 | C4 | O11 | 109.6° | 108.8° |
| C3 | C4 | H4 | 108.5° | 108.7° |
| C4 | C3 | H3 | 108.0° | 108.6° |
| O9 | C3 | H3 | 109.2° | 108.8° |
| C3 | O9 | HO9 | 109.5° | 114.1° |
| O11 | C4 | H4 | 110.0° | 108.7° |
| C4 | O11 | HO11 | 109.5° | 114.0° |
| H131 | C13 | H13 | 109.5° | 109.5° |
| H191 | C19 | H19 | 109.5° | 109.5° |
| H201 | C20 | H20 | 109.5° | 109.5° |
| H211 | C21 | H21 | 109.5° | 109.4° |
| H221 | C22 | H22 | 109.4° | 109.5° |
| H31 | C31 | H8 | 109.5° | 110.6° |
| H362 | C36 | H36 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H36 | C36 | H361 | 109.5° | 109.4° |
| H372 | C37 | H37 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.4° | 109.5° |
| H37 | C37 | H371 | 109.5° | 109.4° |
| H382 | C38 | H38 | 109.4° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.4° |
| H38 | C38 | H381 | 109.5° | 109.4° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H401 | C40 | H40 | 109.5° | 109.5° |
| H402 | C40 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C32 | N27 | C31 | 129.5° | 118.2° |
| C36 | C32 | N27 | H32 | 119.1° | 123.6° |
| C36 | C32 | C31 | H32 | 119.1° | 123.6° |
| C36 | C32 | N27 | B26 | 53.5° | 37.0° |
| C36 | C32 | N27 | C28 | 136.7° | 141.3° |
| C36 | C32 | C31 | C29 | 135.2° | 138.5° |
| C36 | C32 | C31 | H31 | 15.4° | 103.1° |
| C36 | C32 | C31 | H8 | 105.1° | 20.1° |
| C32 | C36 | H362 | H36 | 120.0° | 120.0° |
| C32 | C36 | H362 | H361 | 120.0° | 120.0° |
| C32 | C36 | H36 | H361 | 120.0° | 120.0° |
| F42 | B26 | F41 | N27 | 114.8° | 120.6° |
| F42 | B26 | F41 | N25 | 114.3° | 120.6° |
| F42 | B26 | N27 | C32 | 59.8° | 74.9° |
| F42 | B26 | N27 | N25 | 121.6° | 119.8° |
| F42 | B26 | N25 | C35 | 55.1° | 66.0° |
| F42 | B26 | N27 | C28 | 130.9° | 103.0° |
| F42 | B26 | N25 | C24 | 131.2° | 112.2° |
| C37 | C35 | N25 | B26 | 4.1° | 3.9° |
| C37 | C35 | N25 | C34 | 179.6° | 179.9° |
| C37 | C35 | N25 | C24 | 178.4° | 177.7° |
| C37 | C35 | C34 | C33 | 179.5° | 178.8° |
| C37 | C35 | C34 | H34 | 0.5° | 1.1° |
| C35 | C37 | H372 | H37 | 120.0° | 120.0° |
| C35 | C37 | H372 | H371 | 120.0° | 120.1° |
| C35 | C37 | H37 | H371 | 120.0° | 120.0° |
| F41 | B26 | N27 | C32 | 50.0° | 45.8° |
| F41 | B26 | N27 | N25 | 128.6° | 119.6° |
| F41 | B26 | N25 | C35 | 54.8° | 54.6° |
| F41 | B26 | N27 | C28 | 119.3° | 136.3° |
| F41 | B26 | N25 | C24 | 118.9° | 127.2° |
| N27 | C32 | C31 | H32 | 111.9° | 118.2° |
| C32 | N27 | B26 | C28 | 169.3° | 177.9° |
| C32 | N27 | B26 | N25 | 178.6° | 165.3° |
| N27 | C32 | C31 | C29 | 6.2° | 20.3° |
| C32 | N27 | C28 | C29 | 5.2° | 17.4° |
| C32 | N27 | C28 | C23 | 176.9° | 158.3° |
| N27 | C32 | C31 | H31 | 113.6° | 138.7° |
| N27 | C32 | C31 | H8 | 125.9° | 98.1° |
| N27 | C32 | C36 | H362 | 180.0° | 60.0° |
| N27 | C32 | C36 | H36 | 60.0° | 180.0° |
| N27 | C32 | C36 | H361 | 60.0° | 60.0° |
| C31 | C32 | N27 | B26 | 177.1° | 155.2° |
| C31 | C32 | N27 | C28 | 7.2° | 23.0° |
| C32 | C31 | C29 | H31 | 119.7° | 118.4° |
| C32 | C31 | C29 | H8 | 119.7° | 118.5° |
| C32 | C31 | C29 | C28 | 3.6° | 11.6° |
| C32 | C31 | C29 | C40 | 177.1° | 168.4° |
| C32 | C31 | H31 | H8 | 120.8° | 123.4° |
| C31 | C32 | C36 | H362 | 58.6° | 172.7° |
| C31 | C32 | C36 | H36 | 61.4° | 67.3° |
| C31 | C32 | C36 | H361 | 178.6° | 52.7° |
| N27 | B26 | N25 | C35 | 177.0° | 174.2° |
| N27 | B26 | N25 | C24 | 9.3° | 7.6° |
| B26 | N27 | C28 | C29 | 175.3° | 160.9° |
| B26 | N27 | C28 | C23 | 6.8° | 23.4° |
| B26 | N27 | C32 | H32 | 65.6° | 86.7° |
| B26 | N25 | C35 | C24 | 174.4° | 178.4° |
| B26 | N25 | C35 | C34 | 176.4° | 176.0° |
| N25 | B26 | N27 | C28 | 9.4° | 16.7° |
| B26 | N25 | C24 | C33 | 176.6° | 175.8° |
| B26 | N25 | C24 | C23 | 6.3° | 5.0° |
| N25 | C35 | C34 | C33 | 0.9° | 1.2° |
| C35 | N25 | C24 | C33 | 2.1° | 2.6° |
| C35 | N25 | C24 | C23 | 179.1° | 176.6° |
| N25 | C35 | C34 | H34 | 179.2° | 178.8° |
| N25 | C35 | C37 | H372 | 89.7° | 90.0° |
| N25 | C35 | C37 | H37 | 150.3° | 150.0° |
| N25 | C35 | C37 | H371 | 30.3° | 30.1° |
| C34 | C35 | N25 | C24 | 2.0° | 2.4° |
| C35 | C34 | C33 | H34 | 180.0° | 180.0° |
| C35 | C34 | C33 | C24 | 0.4° | 0.4° |
| C35 | C34 | C33 | C38 | 179.6° | 179.6° |
| C34 | C35 | C37 | H372 | 89.9° | 89.9° |
| C34 | C35 | C37 | H37 | 30.2° | 30.1° |
| C34 | C35 | C37 | H371 | 150.2° | 150.0° |
| N27 | C28 | C29 | C31 | 0.7° | 3.0° |
| N27 | C28 | C29 | C23 | 177.4° | 175.6° |
| N27 | C28 | C29 | C40 | 178.5° | 177.0° |
| N27 | C28 | C23 | C24 | 3.4° | 16.8° |
| N27 | C28 | C23 | C22 | 180.0° | 103.1° |
| N27 | C28 | C23 | H2 | 88.3° | 136.8° |
| C28 | N27 | C32 | H32 | 104.2° | 95.1° |
| N25 | C24 | C33 | C34 | 1.6° | 1.8° |
| N25 | C24 | C23 | C28 | 3.0° | 8.2° |
| N25 | C24 | C33 | C23 | 176.3° | 179.2° |
| N25 | C24 | C33 | C38 | 179.2° | 178.2° |
| N25 | C24 | C23 | C22 | 179.7° | 111.6° |
| N25 | C24 | C23 | H2 | 88.6° | 128.2° |
| C31 | C29 | C28 | C40 | 179.2° | 180.0° |
| C31 | C29 | C28 | C23 | 178.2° | 172.6° |
| C29 | C31 | H31 | H8 | 120.8° | 123.1° |
| C29 | C31 | C32 | H32 | 105.7° | 97.9° |
| C31 | C29 | C40 | H401 | 180.0° | 90.0° |
| C31 | C29 | C40 | H402 | 60.0° | 30.0° |
| C31 | C29 | C40 | H40 | 60.0° | 150.0° |
| C34 | C33 | C24 | C38 | 179.2° | 180.0° |
| C34 | C33 | C24 | C23 | 177.8° | 177.4° |
| C34 | C33 | C38 | H382 | 90.5° | 85.7° |
| C34 | C33 | C38 | H38 | 149.6° | 34.4° |
| C34 | C33 | C38 | H381 | 29.5° | 154.4° |
| C29 | C28 | C23 | C24 | 179.5° | 168.1° |
| C29 | C28 | C23 | C22 | 2.8° | 72.0° |
| C29 | C28 | C23 | H2 | 88.8° | 48.1° |
| C28 | C29 | C31 | H31 | 116.1° | 130.0° |
| C28 | C29 | C31 | H8 | 123.4° | 107.0° |
| C28 | C29 | C40 | H401 | 0.9° | 90.0° |
| C28 | C29 | C40 | H402 | 119.1° | 150.0° |
| C28 | C29 | C40 | H40 | 120.9° | 30.0° |
| C23 | C28 | C29 | C40 | 1.0° | 7.4° |
| C28 | C23 | C24 | C33 | 178.8° | 172.7° |
| C28 | C23 | C24 | C22 | 176.7° | 119.9° |
| C28 | C23 | C24 | H2 | 91.6° | 119.9° |
| C28 | C23 | C22 | H2 | 91.7° | 120.2° |
| C28 | C23 | C22 | C21 | 90.1° | 59.7° |
| C28 | C23 | C22 | H221 | 150.6° | 60.3° |
| C28 | C23 | C22 | H22 | 29.3° | 179.6° |
| C40 | C29 | C31 | H31 | 63.1° | 50.0° |
| C40 | C29 | C31 | H8 | 57.4° | 73.1° |
| C29 | C40 | H401 | H402 | 120.0° | 120.0° |
| C29 | C40 | H401 | H40 | 120.0° | 120.0° |
| C29 | C40 | H402 | H40 | 120.0° | 120.0° |
| C33 | C24 | C23 | C22 | 4.5° | 67.4° |
| C33 | C24 | C23 | H2 | 87.2° | 52.8° |
| C24 | C33 | C34 | H34 | 179.5° | 179.6° |
| C24 | C33 | C38 | H382 | 90.4° | 94.4° |
| C24 | C33 | C38 | H38 | 29.5° | 145.6° |
| C24 | C33 | C38 | H381 | 149.6° | 25.6° |
| C23 | C24 | C33 | C38 | 3.0° | 2.7° |
| C24 | C23 | C22 | H2 | 91.7° | 120.3° |
| C24 | C23 | C22 | C21 | 86.5° | 59.9° |
| C24 | C23 | C22 | H221 | 32.8° | 179.9° |
| C24 | C23 | C22 | H22 | 154.2° | 60.0° |
| C38 | C33 | C34 | H34 | 0.3° | 0.4° |
| C33 | C38 | H382 | H38 | 120.0° | 120.1° |
| C33 | C38 | H382 | H381 | 120.0° | 120.0° |
| C33 | C38 | H38 | H381 | 120.0° | 120.0° |
| C23 | C22 | C21 | H221 | 119.3° | 120.0° |
| C23 | C22 | C21 | H22 | 119.3° | 120.0° |
| C23 | C22 | C21 | C20 | 173.9° | 177.0° |
| C23 | C22 | C21 | H211 | 65.4° | 57.0° |
| C23 | C22 | C21 | H21 | 53.3° | 63.0° |
| C23 | C22 | H221 | H22 | 122.0° | 120.0° |
| C22 | C21 | C20 | H211 | 120.6° | 120.0° |
| C22 | C21 | C20 | H21 | 120.6° | 120.0° |
| C22 | C21 | C20 | C19 | 163.3° | 180.0° |
| C22 | C21 | C20 | H201 | 42.9° | 60.0° |
| C22 | C21 | C20 | H20 | 76.2° | 60.0° |
| C22 | C21 | H211 | H21 | 118.1° | 120.0° |
| C21 | C22 | H221 | H22 | 122.1° | 120.0° |
| C21 | C22 | C23 | H2 | 178.2° | 179.8° |
| C21 | C20 | C19 | H201 | 120.4° | 119.9° |
| C21 | C20 | C19 | H20 | 120.4° | 120.1° |
| C21 | C20 | C19 | C18 | 174.5° | 180.0° |
| C21 | C20 | C19 | H191 | 54.6° | 60.0° |
| C21 | C20 | C19 | H19 | 65.6° | 60.0° |
| C21 | C20 | H201 | H20 | 118.7° | 120.1° |
| C20 | C21 | H211 | H21 | 118.1° | 120.0° |
| C20 | C21 | C22 | H221 | 54.6° | 63.0° |
| C20 | C21 | C22 | H22 | 66.8° | 57.0° |
| C20 | C19 | C18 | H191 | 119.9° | 120.0° |
| C20 | C19 | C18 | H19 | 119.9° | 120.0° |
| C20 | C19 | C18 | N16 | 37.1° | 55.0° |
| C20 | C19 | C18 | C17 | 141.9° | 125.3° |
| C20 | C19 | H191 | H19 | 120.3° | 120.0° |
| C19 | C20 | H201 | H20 | 118.8° | 120.0° |
| C19 | C20 | C21 | H211 | 76.1° | 60.0° |
| C19 | C20 | C21 | H21 | 42.7° | 59.9° |
| C19 | C18 | N16 | C17 | 179.1° | 179.7° |
| C19 | C18 | N16 | N15 | 179.6° | 180.0° |
| C19 | C18 | C17 | N14 | 179.9° | 179.9° |
| C19 | C18 | C17 | H17 | 0.2° | 0.0° |
| C18 | C19 | H191 | H19 | 120.3° | 120.0° |
| C18 | C19 | C20 | H201 | 65.1° | 60.0° |
| C18 | C19 | C20 | H20 | 54.1° | 60.0° |
| N16 | C18 | C17 | N14 | 0.7° | 0.4° |
| C18 | N16 | N15 | N14 | 0.1° | 0.0° |
| N16 | C18 | C17 | H17 | 179.3° | 179.8° |
| N16 | C18 | C19 | H191 | 82.8° | 65.0° |
| N16 | C18 | C19 | H19 | 156.9° | 175.0° |
| C17 | C18 | N16 | N15 | 0.5° | 0.3° |
| C18 | C17 | N14 | H17 | 180.0° | 179.8° |
| C18 | C17 | N14 | N15 | 0.7° | 0.4° |
| C18 | C17 | N14 | C13 | 179.3° | 179.9° |
| C17 | C18 | C19 | H191 | 98.2° | 114.7° |
| C17 | C18 | C19 | H19 | 22.0° | 5.3° |
| N16 | N15 | N14 | C17 | 0.4° | 0.3° |
| N16 | N15 | N14 | C13 | 179.3° | 180.0° |
| C17 | N14 | N15 | C13 | 178.9° | 179.7° |
| C17 | N14 | C13 | C6 | 84.0° | 124.7° |
| C17 | N14 | C13 | H131 | 156.1° | 4.7° |
| C17 | N14 | C13 | H13 | 36.0° | 115.3° |
| N15 | N14 | C13 | C6 | 94.6° | 55.0° |
| N15 | N14 | C13 | H131 | 25.3° | 174.9° |
| N15 | N14 | C13 | H13 | 145.4° | 65.1° |
| N15 | N14 | C17 | H17 | 179.3° | 179.8° |
| N14 | C13 | C6 | C7 | 49.6° | 171.9° |
| N14 | C13 | C6 | H131 | 120.0° | 120.0° |
| N14 | C13 | C6 | H13 | 120.0° | 120.0° |
| N14 | C13 | C6 | C5 | 175.9° | 65.0° |
| N14 | C13 | C6 | H6 | 67.7° | 53.5° |
| N14 | C13 | H131 | H13 | 120.1° | 120.0° |
| C13 | N14 | C17 | H17 | 0.7° | 0.0° |
| C6 | C7 | O8 | C1 | 110.1° | 108.6° |
| C6 | C7 | O8 | H7 | 144.9° | 146.3° |
| C6 | C7 | C1 | H7 | 148.2° | 144.3° |
| C7 | C6 | C13 | C5 | 126.3° | 123.1° |
| C7 | C6 | C13 | H6 | 117.2° | 118.4° |
| C7 | C6 | C5 | H6 | 117.5° | 120.8° |
| C6 | C7 | C1 | C3 | 4.5° | 6.5° |
| C7 | C6 | C5 | C4 | 47.4° | 46.9° |
| C7 | C6 | C5 | O12 | 170.8° | 167.8° |
| C7 | C6 | C5 | H5 | 70.4° | 73.9° |
| C6 | C7 | C1 | H1 | 147.4° | 143.9° |
| C7 | C6 | C13 | H131 | 70.4° | 68.1° |
| C7 | C6 | C13 | H13 | 169.5° | 51.9° |
| O8 | C7 | C1 | H7 | 107.9° | 106.2° |
| O8 | C7 | C6 | C13 | 75.0° | 71.7° |
| O8 | C7 | C6 | C5 | 50.3° | 49.2° |
| O8 | C7 | C1 | C3 | 99.5° | 103.1° |
| O8 | C7 | C6 | H6 | 167.8° | 170.0° |
| O8 | C7 | C1 | H1 | 108.6° | 106.6° |
| C1 | C7 | C6 | C13 | 141.1° | 140.5° |
| C1 | C7 | C6 | C5 | 15.9° | 19.6° |
| C7 | C1 | C3 | H1 | 151.9° | 150.8° |
| C7 | C1 | C3 | C4 | 24.2° | 19.4° |
| C7 | C1 | C3 | O9 | 148.1° | 140.5° |
| C1 | C7 | C6 | H6 | 101.6° | 101.2° |
| C7 | C1 | C3 | H3 | 93.4° | 100.9° |
| C13 | C6 | C5 | H6 | 116.4° | 118.4° |
| C13 | C6 | C5 | C4 | 173.5° | 167.7° |
| C13 | C6 | C5 | O12 | 63.1° | 71.4° |
| C13 | C6 | C5 | H5 | 55.6° | 46.9° |
| C13 | C6 | C7 | H7 | 70.6° | 75.0° |
| C6 | C13 | H131 | H13 | 120.1° | 120.0° |
| C6 | C5 | C4 | O12 | 121.6° | 120.8° |
| C6 | C5 | C4 | H5 | 117.9° | 120.8° |
| C6 | C5 | O12 | H5 | 118.0° | 118.2° |
| C6 | C5 | C4 | C3 | 70.4° | 62.8° |
| C6 | C5 | C4 | O11 | 168.6° | 176.3° |
| C6 | C5 | C4 | H4 | 48.2° | 58.0° |
| C5 | C6 | C7 | H7 | 164.1° | 164.1° |
| C6 | C5 | O12 | HO12 | 180.0° | 176.6° |
| C5 | C6 | C13 | H131 | 55.9° | 55.0° |
| C5 | C6 | C13 | H13 | 64.1° | 175.0° |
| O8 | C1 | C3 | H1 | 142.5° | 143.2° |
| O8 | C1 | C3 | C4 | 89.7° | 85.3° |
| O8 | C1 | C3 | O9 | 146.3° | 153.5° |
| O8 | C1 | C3 | H3 | 27.9° | 35.0° |
| C1 | C3 | C4 | C5 | 56.1° | 46.5° |
| C1 | C3 | C4 | O9 | 121.8° | 121.0° |
| C1 | C3 | C4 | H3 | 117.6° | 120.5° |
| C1 | C3 | O9 | H3 | 117.6° | 118.6° |
| C1 | C3 | C4 | O11 | 177.3° | 167.4° |
| C1 | C3 | C4 | H4 | 62.5° | 74.4° |
| C3 | C1 | C7 | H7 | 152.7° | 150.7° |
| C1 | C3 | O9 | HO9 | 180.0° | 180.0° |
| C4 | C5 | O12 | H5 | 119.8° | 118.4° |
| C5 | C4 | C3 | O11 | 121.3° | 120.9° |
| C5 | C4 | C3 | H4 | 118.6° | 120.9° |
| C5 | C4 | C3 | O9 | 177.8° | 167.5° |
| C5 | C4 | O11 | H4 | 119.6° | 118.4° |
| C4 | C5 | C6 | H6 | 70.1° | 73.8° |
| C5 | C4 | C3 | H3 | 61.5° | 74.0° |
| C5 | C4 | O11 | HO11 | 180.0° | 180.0° |
| C4 | C5 | O12 | HO12 | 57.8° | 60.0° |
| O12 | C5 | C4 | C3 | 168.0° | 176.4° |
| O12 | C5 | C4 | O11 | 47.0° | 55.5° |
| O12 | C5 | C6 | H6 | 53.3° | 47.1° |
| O12 | C5 | C4 | H4 | 73.4° | 62.9° |
| C4 | C3 | O9 | H3 | 120.0° | 118.4° |
| C3 | C4 | O11 | H4 | 119.3° | 118.2° |
| C3 | C4 | C5 | H5 | 47.5° | 58.0° |
| C4 | C3 | C1 | H1 | 127.8° | 131.5° |
| C4 | C3 | O9 | HO9 | 57.6° | 57.0° |
| C3 | C4 | O11 | HO11 | 58.9° | 56.6° |
| O9 | C3 | C4 | O11 | 60.9° | 71.6° |
| O9 | C3 | C4 | H4 | 59.2° | 46.6° |
| O9 | C3 | C1 | H1 | 3.8° | 10.3° |
| O11 | C4 | C5 | H5 | 73.4° | 62.9° |
| O11 | C4 | C3 | H3 | 59.8° | 46.9° |
| H5 | C5 | C6 | H6 | 172.0° | 165.3° |
| H5 | C5 | C4 | H4 | 166.1° | 178.7° |
| H5 | C5 | O12 | HO12 | 62.0° | 58.4° |
| H6 | C6 | C7 | H7 | 46.6° | 43.3° |
| H6 | C6 | C13 | H131 | 172.4° | 173.5° |
| H6 | C6 | C13 | H13 | 52.3° | 66.5° |
| H4 | C4 | C3 | H3 | 179.9° | 165.1° |
| H4 | C4 | O11 | HO11 | 60.4° | 61.6° |
| H1 | C1 | C3 | H3 | 114.6° | 108.2° |
| H1 | C1 | C7 | H7 | 0.8° | 0.4° |
| H3 | C3 | O9 | HO9 | 62.4° | 61.4° |
| H191 | C19 | C20 | H201 | 175.0° | 179.9° |
| H191 | C19 | C20 | H20 | 65.8° | 60.0° |
| H19 | C19 | C20 | H201 | 54.7° | 59.9° |
| H19 | C19 | C20 | H20 | 173.9° | 179.9° |
| H201 | C20 | C21 | H211 | 163.5° | 179.9° |
| H201 | C20 | C21 | H21 | 77.7° | 60.0° |
| H20 | C20 | C21 | H211 | 44.3° | 60.0° |
| H20 | C20 | C21 | H21 | 163.1° | 180.0° |
| H211 | C21 | C22 | H221 | 175.3° | 177.0° |
| H211 | C21 | C22 | H22 | 53.8° | 63.0° |
| H21 | C21 | C22 | H221 | 66.0° | 57.0° |
| H21 | C21 | C22 | H22 | 172.6° | 177.1° |
| H221 | C22 | C23 | H2 | 58.9° | 59.8° |
| H22 | C22 | C23 | H2 | 62.4° | 60.2° |
| H31 | C31 | C32 | H32 | 134.5° | 20.5° |
| H8 | C31 | C32 | H32 | 14.0° | 143.7° |
| H32 | C32 | C36 | H362 | 60.5° | 63.7° |
| H32 | C32 | C36 | H36 | 179.5° | 56.3° |
| H32 | C32 | C36 | H361 | 59.5° | 176.3° |
| H362 | C36 | H36 | H361 | 120.0° | 120.0° |
| H372 | C37 | H37 | H371 | 120.0° | 120.0° |
| H382 | C38 | H38 | H381 | 120.0° | 120.0° |
| H401 | C40 | H402 | H40 | 120.0° | 120.0° |
