82B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C20 | doub | 1.22Å | 1.23Å | |
| C20 | N21 | sing | 1.35Å | 1.33Å | |
| C20 | N8 | sing | 1.35Å | 1.34Å | |
| N21 | C24 | sing | 1.46Å | 1.45Å | |
| C24 | C25 | sing | 1.51Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N31 | sing | 1.47Å | 1.47Å | |
| N31 | C36 | sing | 1.48Å | 1.45Å | |
| N31 | C33 | sing | 1.48Å | 1.46Å | |
| C36 | C35 | sing | 1.54Å | 1.52Å | |
| C35 | C34 | sing | 1.55Å | 1.53Å | |
| C34 | C33 | sing | 1.55Å | 1.53Å | |
| N8 | C4 | sing | 1.47Å | 1.48Å | |
| N8 | C7 | sing | 1.47Å | 1.50Å | |
| C4 | C19 | sing | 1.53Å | 1.54Å | |
| C4 | C18 | sing | 1.53Å | 1.57Å | |
| C4 | C5 | sing | 1.51Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C3 | doub | 1.36Å | 1.39Å | Aromatic |
| C5 | N1 | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | N2 | sing | 1.36Å | 1.36Å | Aromatic |
| C3 | N9 | sing | 1.39Å | 1.37Å | |
| N9 | C10 | sing | 1.35Å | 1.33Å | |
| C10 | O12 | doub | 1.22Å | 1.22Å | |
| C10 | C11 | sing | 1.47Å | 1.49Å | |
| C11 | N16 | sing | 1.38Å | 1.36Å | Aromatic |
| C11 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| N16 | C32 | sing | 1.46Å | 1.48Å | |
| N16 | C15 | sing | 1.36Å | 1.34Å | Aromatic |
| C15 | C14 | doub | 1.35Å | 1.36Å | Aromatic |
| C14 | BR | sing | 1.89Å | 1.98Å | |
| C14 | C13 | sing | 1.40Å | 1.37Å | Aromatic |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C20 | N21 | 120.3° | 120.0° |
| O22 | C20 | N8 | 123.9° | 120.0° |
| N21 | C20 | N8 | 115.8° | 120.0° |
| C20 | N21 | C24 | 122.7° | 120.0° |
| C20 | N21 | H21 | 118.6° | 120.0° |
| C20 | N8 | C4 | 124.0° | 126.4° |
| C20 | N8 | C7 | 123.4° | 126.4° |
| N21 | C24 | C25 | 109.8° | 109.5° |
| N21 | C24 | C23 | 106.2° | 109.5° |
| C24 | N21 | H21 | 118.6° | 120.0° |
| N21 | C24 | H24 | 110.3° | 109.5° |
| C25 | C24 | C23 | 111.4° | 109.5° |
| C24 | C25 | C30 | 120.5° | 120.1° |
| C24 | C25 | C26 | 119.4° | 120.0° |
| C25 | C24 | H24 | 109.9° | 109.4° |
| C24 | C23 | N31 | 116.1° | 109.5° |
| C23 | C24 | H24 | 109.3° | 109.4° |
| C24 | C23 | H231 | 107.8° | 109.5° |
| C24 | C23 | H232 | 107.8° | 109.5° |
| C30 | C25 | C26 | 120.1° | 120.0° |
| C25 | C30 | C29 | 119.4° | 120.0° |
| C25 | C30 | H30 | 120.3° | 120.0° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C25 | C26 | H26 | 119.9° | 120.0° |
| C30 | C29 | C28 | 120.6° | 120.0° |
| C29 | C30 | H30 | 120.3° | 120.0° |
| C30 | C29 | H29 | 119.7° | 120.0° |
| C29 | C28 | C27 | 120.0° | 120.0° |
| C28 | C29 | H29 | 119.7° | 120.0° |
| C29 | C28 | H28 | 120.0° | 120.0° |
| C28 | C27 | C26 | 119.7° | 120.0° |
| C27 | C28 | H28 | 120.0° | 120.0° |
| C28 | C27 | H27 | 120.1° | 120.0° |
| C27 | C26 | H26 | 119.9° | 120.0° |
| C26 | C27 | H27 | 120.2° | 120.0° |
| C23 | N31 | C36 | 119.1° | 111.0° |
| C23 | N31 | C33 | 124.2° | 111.0° |
| N31 | C23 | H231 | 107.8° | 109.5° |
| N31 | C23 | H232 | 107.8° | 109.4° |
| C36 | N31 | C33 | 116.4° | 105.9° |
| N31 | C36 | C35 | 102.8° | 107.0° |
| N31 | C36 | H361 | 111.1° | 109.9° |
| N31 | C36 | H362 | 111.1° | 110.0° |
| N31 | C33 | C34 | 101.5° | 103.2° |
| N31 | C33 | H331 | 111.4° | 110.7° |
| N31 | C33 | H332 | 111.4° | 110.7° |
| C36 | C35 | C34 | 107.8° | 105.1° |
| C35 | C36 | H361 | 111.1° | 109.9° |
| C35 | C36 | H362 | 111.1° | 109.9° |
| C36 | C35 | H351 | 109.9° | 110.3° |
| C36 | C35 | H352 | 109.9° | 110.3° |
| C35 | C34 | C33 | 107.2° | 102.9° |
| C34 | C35 | H351 | 109.9° | 110.3° |
| C34 | C35 | H352 | 109.9° | 110.3° |
| C35 | C34 | H341 | 110.0° | 110.7° |
| C35 | C34 | H342 | 110.0° | 110.7° |
| C34 | C33 | H331 | 111.4° | 110.6° |
| C34 | C33 | H332 | 111.4° | 110.6° |
| C33 | C34 | H341 | 110.0° | 110.8° |
| C33 | C34 | H342 | 110.0° | 110.7° |
| C4 | N8 | C7 | 112.0° | 107.2° |
| N8 | C4 | C19 | 110.8° | 120.6° |
| N8 | C4 | C18 | 139.8° | 120.7° |
| N8 | C4 | C5 | 103.2° | 107.9° |
| N8 | C7 | C6 | 102.7° | 107.7° |
| N8 | C7 | H71C | 111.1° | 109.8° |
| N8 | C7 | H72C | 111.1° | 109.7° |
| C19 | C4 | C18 | 58.5° | 60.0° |
| C19 | C4 | C5 | 111.3° | 120.6° |
| C4 | C19 | C18 | 61.7° | 60.0° |
| C4 | C19 | H191 | 119.7° | 117.5° |
| C4 | C19 | H192 | 119.7° | 117.6° |
| C18 | C4 | C5 | 116.9° | 120.7° |
| C4 | C18 | C19 | 59.8° | 60.0° |
| C4 | C18 | H181 | 120.0° | 117.5° |
| C4 | C18 | H182 | 120.1° | 117.5° |
| C4 | C5 | C6 | 111.9° | 108.5° |
| C4 | C5 | N1 | 133.5° | 143.1° |
| C18 | C19 | H191 | 119.7° | 117.4° |
| C18 | C19 | H192 | 119.7° | 117.5° |
| C19 | C18 | H181 | 120.0° | 117.5° |
| C19 | C18 | H182 | 120.1° | 117.6° |
| C7 | C6 | C5 | 109.4° | 108.7° |
| C7 | C6 | C3 | 148.0° | 143.3° |
| C6 | C7 | H71C | 111.1° | 109.9° |
| C6 | C7 | H72C | 111.1° | 109.8° |
| C5 | C6 | C3 | 102.4° | 107.9° |
| C6 | C5 | N1 | 113.0° | 108.3° |
| C6 | C3 | N2 | 111.4° | 107.4° |
| C6 | C3 | N9 | 128.5° | 126.3° |
| C5 | N1 | N2 | 105.2° | 108.5° |
| N1 | N2 | C3 | 107.6° | 107.8° |
| N1 | N2 | H2 | 126.2° | 126.1° |
| N2 | C3 | N9 | 119.9° | 126.3° |
| C3 | N2 | H2 | 126.2° | 126.1° |
| C3 | N9 | C10 | 123.9° | 120.0° |
| C3 | N9 | H9 | 118.1° | 120.0° |
| N9 | C10 | O12 | 122.9° | 120.0° |
| N9 | C10 | C11 | 118.6° | 120.0° |
| C10 | N9 | H9 | 118.1° | 120.0° |
| O12 | C10 | C11 | 118.5° | 119.9° |
| C10 | C11 | N16 | 125.6° | 126.2° |
| C10 | C11 | C13 | 124.1° | 126.2° |
| N16 | C11 | C13 | 110.3° | 107.6° |
| C11 | N16 | C32 | 127.2° | 125.7° |
| C11 | N16 | C15 | 110.3° | 108.6° |
| C11 | C13 | C14 | 100.7° | 107.1° |
| C11 | C13 | H13 | 129.7° | 126.5° |
| C32 | N16 | C15 | 122.5° | 125.6° |
| N16 | C32 | H321 | 109.5° | 109.5° |
| N16 | C32 | H322 | 109.5° | 109.5° |
| N16 | C32 | H323 | 109.5° | 109.4° |
| N16 | C15 | C14 | 103.2° | 108.8° |
| N16 | C15 | H15 | 128.4° | 125.5° |
| C15 | C14 | BR | 121.7° | 126.0° |
| C15 | C14 | C13 | 115.5° | 107.9° |
| C14 | C15 | H15 | 128.4° | 125.6° |
| BR | C14 | C13 | 122.8° | 126.1° |
| C14 | C13 | H13 | 129.7° | 126.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 110.0° |
| H331 | C33 | H332 | 109.5° | 110.8° |
| H351 | C35 | H352 | 109.5° | 110.3° |
| H341 | C34 | H342 | 109.5° | 110.8° |
| H71C | C7 | H72C | 109.5° | 109.9° |
| H191 | C19 | H192 | 109.5° | 115.6° |
| H181 | C18 | H182 | 109.5° | 115.6° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C20 | N21 | N8 | 178.3° | 179.8° |
| O22 | C20 | N21 | C24 | 7.7° | 0.0° |
| O22 | C20 | N8 | C4 | 14.2° | 0.0° |
| O22 | C20 | N8 | C7 | 175.7° | 179.6° |
| O22 | C20 | N21 | H21 | 172.3° | 180.0° |
| C20 | N21 | C24 | H21 | 180.0° | 180.0° |
| C20 | N21 | C24 | C25 | 84.8° | 85.0° |
| C20 | N21 | C24 | C23 | 154.7° | 155.0° |
| N21 | C20 | N8 | C4 | 164.0° | 179.8° |
| N21 | C20 | N8 | C7 | 6.0° | 0.6° |
| C20 | N21 | C24 | H24 | 36.4° | 35.0° |
| N8 | C20 | N21 | C24 | 170.6° | 179.7° |
| C20 | N8 | C4 | C7 | 171.0° | 179.7° |
| C20 | N8 | C4 | C19 | 63.4° | 35.6° |
| C20 | N8 | C4 | C18 | 1.9° | 35.5° |
| C20 | N8 | C4 | C5 | 177.4° | 180.0° |
| C20 | N8 | C7 | C6 | 172.4° | 180.0° |
| N8 | C20 | N21 | H21 | 9.3° | 0.3° |
| C20 | N8 | C7 | H71C | 53.5° | 60.4° |
| C20 | N8 | C7 | H72C | 68.7° | 60.5° |
| N21 | C24 | C25 | C23 | 117.3° | 120.1° |
| N21 | C24 | C25 | H24 | 121.4° | 120.0° |
| N21 | C24 | C23 | H24 | 118.9° | 120.0° |
| N21 | C24 | C25 | C30 | 57.1° | 140.0° |
| N21 | C24 | C25 | C26 | 125.0° | 39.8° |
| N21 | C24 | C23 | N31 | 178.4° | 55.0° |
| N21 | C24 | C23 | H231 | 60.7° | 175.0° |
| N21 | C24 | C23 | H232 | 57.4° | 65.0° |
| C25 | C24 | C23 | H24 | 121.6° | 120.0° |
| C24 | C25 | C30 | C26 | 177.9° | 179.8° |
| C24 | C25 | C30 | C29 | 178.4° | 180.0° |
| C24 | C25 | C26 | C27 | 179.0° | 179.8° |
| C25 | C24 | C23 | N31 | 62.2° | 175.0° |
| C25 | C24 | N21 | H21 | 95.3° | 95.0° |
| C25 | C24 | C23 | H231 | 58.8° | 65.0° |
| C25 | C24 | C23 | H232 | 176.9° | 55.1° |
| C24 | C25 | C30 | H30 | 1.6° | 0.0° |
| C24 | C25 | C26 | H26 | 1.1° | 0.0° |
| C23 | C24 | C25 | C30 | 60.2° | 99.9° |
| C23 | C24 | C25 | C26 | 117.7° | 80.3° |
| C24 | C23 | N31 | H231 | 120.9° | 120.0° |
| C24 | C23 | N31 | H232 | 121.0° | 120.0° |
| C24 | C23 | N31 | C36 | 120.5° | 170.0° |
| C24 | C23 | N31 | C33 | 66.7° | 72.6° |
| C23 | C24 | N21 | H21 | 25.3° | 25.0° |
| C24 | C23 | H231 | H232 | 117.0° | 120.0° |
| C25 | C30 | C29 | H30 | 180.0° | 180.0° |
| C25 | C30 | C29 | C28 | 0.2° | 0.0° |
| C30 | C25 | C26 | C27 | 1.0° | 0.5° |
| C30 | C25 | C24 | H24 | 178.5° | 20.0° |
| C30 | C25 | C26 | H26 | 179.0° | 179.7° |
| C25 | C30 | C29 | H29 | 179.9° | 180.0° |
| C26 | C25 | C30 | C29 | 0.5° | 0.2° |
| C25 | C26 | C27 | C28 | 0.9° | 0.5° |
| C25 | C26 | C27 | H26 | 180.0° | 179.8° |
| C26 | C25 | C24 | H24 | 3.5° | 159.7° |
| C26 | C25 | C30 | H30 | 179.5° | 179.8° |
| C25 | C26 | C27 | H27 | 179.1° | 179.8° |
| C30 | C29 | C28 | H29 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.2° | 0.0° |
| C30 | C29 | C28 | H28 | 179.8° | 179.9° |
| C29 | C28 | C27 | H28 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.3° | 0.2° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| C29 | C28 | C27 | H27 | 179.7° | 180.0° |
| C28 | C27 | C26 | H27 | 180.0° | 179.8° |
| C28 | C27 | C26 | H26 | 179.1° | 179.7° |
| C27 | C28 | C29 | H29 | 179.8° | 180.0° |
| C26 | C27 | C28 | H28 | 179.7° | 179.9° |
| C23 | N31 | C36 | C33 | 173.3° | 120.5° |
| C23 | N31 | C36 | C35 | 163.6° | 145.9° |
| C23 | N31 | C33 | C34 | 153.6° | 159.7° |
| N31 | C23 | C24 | H24 | 59.4° | 65.0° |
| N31 | C23 | H231 | H232 | 117.0° | 120.0° |
| C23 | N31 | C36 | H361 | 44.7° | 26.5° |
| C23 | N31 | C36 | H362 | 77.5° | 94.8° |
| C23 | N31 | C33 | H331 | 87.7° | 81.9° |
| C23 | N31 | C33 | H332 | 34.9° | 41.3° |
| N31 | C36 | C35 | H361 | 118.9° | 119.3° |
| N31 | C36 | C35 | H362 | 118.9° | 119.4° |
| N31 | C36 | C35 | C34 | 4.4° | 1.2° |
| C36 | N31 | C33 | C34 | 19.3° | 39.2° |
| C36 | N31 | C23 | H231 | 118.5° | 70.0° |
| C36 | N31 | C23 | H232 | 0.4° | 50.0° |
| N31 | C36 | H361 | H362 | 123.1° | 121.2° |
| C36 | N31 | C33 | H331 | 99.4° | 157.6° |
| C36 | N31 | C33 | H332 | 138.0° | 79.2° |
| N31 | C36 | C35 | H351 | 124.1° | 120.1° |
| N31 | C36 | C35 | H352 | 115.3° | 117.7° |
| C33 | N31 | C36 | C35 | 9.7° | 25.3° |
| N31 | C33 | C34 | C35 | 20.3° | 37.4° |
| N31 | C33 | C34 | H331 | 118.7° | 118.5° |
| N31 | C33 | C34 | H332 | 118.7° | 118.4° |
| C33 | N31 | C23 | H231 | 54.2° | 47.4° |
| C33 | N31 | C23 | H232 | 172.3° | 167.4° |
| C33 | N31 | C36 | H361 | 128.6° | 94.0° |
| C33 | N31 | C36 | H362 | 109.2° | 144.7° |
| N31 | C33 | H331 | H332 | 123.7° | 123.2° |
| N31 | C33 | C34 | H341 | 99.3° | 155.8° |
| N31 | C33 | C34 | H342 | 139.9° | 81.0° |
| C36 | C35 | C34 | H351 | 119.7° | 118.9° |
| C36 | C35 | C34 | H352 | 119.7° | 119.0° |
| C36 | C35 | C34 | C33 | 16.0° | 21.9° |
| C35 | C36 | H361 | H362 | 123.1° | 121.2° |
| C36 | C35 | H351 | H352 | 120.8° | 122.2° |
| C36 | C35 | C34 | H341 | 103.6° | 140.3° |
| C36 | C35 | C34 | H342 | 135.6° | 96.4° |
| C35 | C34 | C33 | H341 | 119.6° | 118.4° |
| C35 | C34 | C33 | H342 | 119.6° | 118.3° |
| C34 | C35 | C36 | H361 | 114.5° | 118.1° |
| C34 | C35 | C36 | H362 | 123.3° | 120.7° |
| C35 | C34 | C33 | H331 | 98.4° | 155.8° |
| C35 | C34 | C33 | H332 | 139.0° | 81.0° |
| C34 | C35 | H351 | H352 | 120.8° | 122.1° |
| C35 | C34 | H341 | H342 | 121.0° | 123.2° |
| C34 | C33 | H331 | H332 | 123.7° | 123.1° |
| C33 | C34 | C35 | H351 | 135.7° | 97.0° |
| C33 | C34 | C35 | H352 | 103.7° | 140.9° |
| C33 | C34 | H341 | H342 | 121.0° | 123.2° |
| N8 | C4 | C19 | C18 | 136.5° | 110.1° |
| N8 | C4 | C19 | C5 | 114.2° | 139.9° |
| N8 | C4 | C18 | C5 | 175.1° | 140.1° |
| C4 | N8 | C7 | C6 | 1.3° | 0.3° |
| N8 | C4 | C5 | C6 | 9.5° | 0.2° |
| N8 | C4 | C5 | N1 | 173.5° | 179.9° |
| C4 | N8 | C7 | H71C | 117.6° | 119.3° |
| C4 | N8 | C7 | H72C | 120.2° | 119.8° |
| N8 | C4 | C19 | H191 | 113.6° | 142.5° |
| N8 | C4 | C19 | H192 | 26.5° | 2.6° |
| N8 | C4 | C18 | H181 | 24.0° | 2.5° |
| N8 | C4 | C18 | H182 | 165.2° | 142.5° |
| C7 | N8 | C4 | C19 | 125.5° | 144.7° |
| C7 | N8 | C4 | C18 | 169.1° | 144.2° |
| C7 | N8 | C4 | C5 | 6.4° | 0.3° |
| N8 | C7 | C6 | H71C | 118.9° | 119.6° |
| N8 | C7 | C6 | H72C | 118.9° | 119.5° |
| N8 | C7 | C6 | C5 | 4.7° | 0.2° |
| N8 | C7 | C6 | C3 | 179.1° | 180.0° |
| N8 | C7 | H71C | H72C | 123.1° | 120.8° |
| C19 | C4 | C18 | C5 | 99.6° | 110.0° |
| C4 | C19 | C18 | H191 | 110.0° | 107.5° |
| C4 | C19 | C18 | H192 | 109.9° | 107.6° |
| C19 | C4 | C5 | C6 | 128.3° | 144.6° |
| C19 | C4 | C5 | N1 | 67.6° | 35.7° |
| C4 | C19 | H191 | H192 | 143.8° | 145.8° |
| C19 | C4 | C18 | H181 | 109.4° | 107.5° |
| C19 | C4 | C18 | H182 | 109.4° | 107.6° |
| C18 | C4 | C5 | C6 | 167.3° | 144.3° |
| C18 | C4 | C5 | N1 | 3.2° | 35.4° |
| C4 | C18 | H181 | H182 | 144.9° | 145.6° |
| C4 | C5 | C6 | C7 | 9.2° | 0.0° |
| C4 | C5 | C6 | N1 | 167.5° | 179.8° |
| C4 | C5 | C6 | C3 | 173.8° | 179.8° |
| C4 | C5 | N1 | N2 | 169.3° | 179.9° |
| C5 | C4 | C19 | H191 | 0.6° | 2.6° |
| C5 | C4 | C19 | H192 | 140.7° | 142.5° |
| C5 | C4 | C18 | H181 | 151.1° | 142.5° |
| C5 | C4 | C18 | H182 | 9.9° | 2.4° |
| C18 | C19 | H191 | H192 | 143.8° | 145.6° |
| C19 | C18 | H181 | H182 | 144.9° | 145.8° |
| C7 | C6 | C5 | C3 | 177.0° | 179.9° |
| C7 | C6 | C5 | N1 | 176.7° | 179.8° |
| C7 | C6 | C3 | N2 | 179.3° | 179.9° |
| C7 | C6 | C3 | N9 | 5.5° | 0.1° |
| C6 | C7 | H71C | H72C | 123.2° | 120.9° |
| C6 | C5 | N1 | N2 | 5.4° | 0.2° |
| C5 | C6 | C3 | N2 | 4.6° | 0.2° |
| C5 | C6 | C3 | N9 | 179.8° | 179.9° |
| C5 | C6 | C7 | H71C | 123.5° | 119.4° |
| C5 | C6 | C7 | H72C | 114.3° | 119.7° |
| C3 | C6 | C5 | N1 | 6.3° | 0.0° |
| C6 | C3 | N2 | N1 | 1.7° | 0.3° |
| C6 | C3 | N2 | N9 | 175.6° | 180.0° |
| C6 | C3 | N9 | C10 | 2.2° | 180.0° |
| C3 | C6 | C7 | H71C | 62.0° | 60.4° |
| C3 | C6 | C7 | H72C | 60.2° | 60.6° |
| C6 | C3 | N2 | H2 | 178.3° | 179.9° |
| C6 | C3 | N9 | H9 | 177.8° | 0.0° |
| C5 | N1 | N2 | C3 | 2.3° | 0.3° |
| C5 | N1 | N2 | H2 | 177.7° | 179.9° |
| N1 | N2 | C3 | H2 | 180.0° | 179.8° |
| N1 | N2 | C3 | N9 | 177.3° | 179.7° |
| N2 | C3 | N9 | C10 | 172.6° | 0.0° |
| N2 | C3 | N9 | H9 | 7.4° | 179.9° |
| C3 | N9 | C10 | H9 | 180.0° | 179.9° |
| C3 | N9 | C10 | O12 | 3.0° | 5.2° |
| C3 | N9 | C10 | C11 | 179.4° | 174.7° |
| N9 | C3 | N2 | H2 | 2.7° | 0.0° |
| N9 | C10 | O12 | C11 | 177.6° | 179.9° |
| N9 | C10 | C11 | N16 | 175.0° | 174.7° |
| N9 | C10 | C11 | C13 | 4.8° | 5.0° |
| O12 | C10 | C11 | N16 | 7.3° | 5.3° |
| O12 | C10 | C11 | C13 | 172.9° | 175.1° |
| O12 | C10 | N9 | H9 | 177.0° | 174.7° |
| C10 | C11 | N16 | C13 | 179.9° | 179.7° |
| C10 | C11 | N16 | C32 | 0.1° | 0.0° |
| C10 | C11 | N16 | C15 | 179.9° | 179.9° |
| C10 | C11 | C13 | C14 | 179.9° | 179.8° |
| C11 | C10 | N9 | H9 | 0.6° | 5.3° |
| C10 | C11 | C13 | H13 | 0.1° | 0.0° |
| C11 | N16 | C32 | C15 | 179.9° | 180.0° |
| C11 | N16 | C15 | C14 | 0.1° | 0.0° |
| N16 | C11 | C13 | C14 | 0.3° | 0.5° |
| N16 | C11 | C13 | H13 | 179.7° | 179.8° |
| C11 | N16 | C32 | H321 | 180.0° | 94.7° |
| C11 | N16 | C32 | H322 | 60.0° | 145.3° |
| C11 | N16 | C32 | H323 | 60.0° | 25.3° |
| C11 | N16 | C15 | H15 | 179.9° | 180.0° |
| C13 | C11 | N16 | C32 | 179.8° | 179.7° |
| C13 | C11 | N16 | C15 | 0.3° | 0.3° |
| C11 | C13 | C14 | C15 | 0.2° | 0.4° |
| C11 | C13 | C14 | BR | 179.5° | 179.8° |
| C11 | C13 | C14 | H13 | 180.0° | 179.8° |
| C32 | N16 | C15 | C14 | 179.9° | 180.0° |
| N16 | C32 | H321 | H322 | 120.0° | 120.1° |
| N16 | C32 | H321 | H323 | 120.0° | 119.9° |
| N16 | C32 | H322 | H323 | 120.0° | 120.0° |
| C32 | N16 | C15 | H15 | 0.1° | 0.0° |
| N16 | C15 | C14 | H15 | 180.0° | 179.9° |
| N16 | C15 | C14 | BR | 179.7° | 180.0° |
| N16 | C15 | C14 | C13 | 0.1° | 0.2° |
| C15 | N16 | C32 | H321 | 0.1° | 85.4° |
| C15 | N16 | C32 | H322 | 120.1° | 34.7° |
| C15 | N16 | C32 | H323 | 120.0° | 154.7° |
| C15 | C14 | BR | C13 | 179.7° | 179.7° |
| C15 | C14 | C13 | H13 | 179.8° | 179.8° |
| BR | C14 | C13 | H13 | 0.5° | 0.1° |
| BR | C14 | C15 | H15 | 0.3° | 0.0° |
| C13 | C14 | C15 | H15 | 179.9° | 179.7° |
| H21 | N21 | C24 | H24 | 143.5° | 145.0° |
| H24 | C24 | C23 | H231 | 179.6° | 55.0° |
| H24 | C24 | C23 | H232 | 61.5° | 175.0° |
| H30 | C30 | C29 | H29 | 0.1° | 0.0° |
| H26 | C26 | C27 | H27 | 0.9° | 0.0° |
| H29 | C29 | C28 | H28 | 0.2° | 0.1° |
| H28 | C28 | C27 | H27 | 0.3° | 0.1° |
| H361 | C36 | C35 | H351 | 5.2° | 0.8° |
| H361 | C36 | C35 | H352 | 125.8° | 122.9° |
| H362 | C36 | C35 | H351 | 117.0° | 120.5° |
| H362 | C36 | C35 | H352 | 3.6° | 1.7° |
| H331 | C33 | C34 | H341 | 142.0° | 85.8° |
| H331 | C33 | C34 | H342 | 21.2° | 37.5° |
| H332 | C33 | C34 | H341 | 19.4° | 37.4° |
| H332 | C33 | C34 | H342 | 101.3° | 160.6° |
| H351 | C35 | C34 | H341 | 16.1° | 21.4° |
| H351 | C35 | C34 | H342 | 104.6° | 144.7° |
| H352 | C35 | C34 | H341 | 136.6° | 100.7° |
| H352 | C35 | C34 | H342 | 15.9° | 22.5° |
| H191 | C19 | C18 | H181 | 140.6° | 145.1° |
| H191 | C19 | C18 | H182 | 0.5° | 0.0° |
| H192 | C19 | C18 | H181 | 0.5° | 0.1° |
| H192 | C19 | C18 | H182 | 140.7° | 145.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
