A1H46
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N12 | sing | 1.47Å | 1.54Å | |
| C14 | N12 | sing | 1.47Å | 1.54Å | |
| N12 | C11 | sing | 1.47Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C10 | C09 | sing | 1.53Å | 1.56Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C05 | N04 | doub | 1.31Å | 1.35Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| N07 | C08 | sing | 1.35Å | 1.34Å | |
| N07 | C06 | sing | 1.39Å | 1.39Å | |
| C08 | O15 | doub | 1.21Å | 1.22Å | |
| N04 | C03 | sing | 1.33Å | 1.36Å | Aromatic |
| C06 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.48Å | 1.49Å | |
| C03 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | N18 | sing | 1.35Å | 1.34Å | |
| N27 | C28 | doub | 1.32Å | 1.35Å | Aromatic |
| N27 | C26 | sing | 1.32Å | 1.35Å | Aromatic |
| N25 | C26 | sing | 1.38Å | 1.39Å | |
| N25 | C24 | sing | 1.46Å | 1.46Å | |
| C42 | C24 | sing | 1.53Å | 1.51Å | |
| C42 | C19 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| N18 | C19 | sing | 1.47Å | 1.45Å | |
| C26 | N41 | doub | 1.32Å | 1.33Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C29 | CL30 | sing | 1.74Å | 1.71Å | |
| C29 | C31 | doub | 1.40Å | 1.40Å | Aromatic |
| N41 | C31 | sing | 1.33Å | 1.33Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C31 | C32 | sing | 1.48Å | 1.48Å | |
| C32 | C36 | sing | 1.47Å | 1.44Å | Aromatic |
| C32 | C33 | doub | 1.36Å | 1.37Å | Aromatic |
| C37 | C36 | doub | 1.39Å | 1.41Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.41Å | 1.41Å | Aromatic |
| C33 | N34 | sing | 1.36Å | 1.36Å | Aromatic |
| C38 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | N34 | sing | 1.38Å | 1.37Å | Aromatic |
| C35 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | HC10 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C17 | HC17 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | HC24 | sing | 1.09Å | 1.10Å | |
| C28 | HC28 | sing | 1.08Å | 1.08Å | |
| C05 | HC05 | sing | 1.08Å | 1.08Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | HC16 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C33 | HC33 | sing | 1.08Å | 1.08Å | |
| C37 | HC37 | sing | 1.08Å | 1.08Å | |
| C38 | HC38 | sing | 1.08Å | 1.08Å | |
| C39 | HC39 | sing | 1.08Å | 1.08Å | |
| C40 | HC40 | sing | 1.08Å | 1.08Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| N07 | HN07 | sing | 0.97Å | 1.00Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N12 | C14 | 110.4° | 111.0° |
| C13 | N12 | C11 | 117.1° | 111.0° |
| N12 | C13 | H132 | 109.5° | 109.5° |
| N12 | C13 | H131 | 109.5° | 109.4° |
| N12 | C13 | H133 | 109.5° | 109.5° |
| C14 | N12 | C11 | 109.2° | 111.0° |
| N12 | C14 | H143 | 109.5° | 109.5° |
| N12 | C14 | H142 | 109.4° | 109.5° |
| N12 | C14 | H141 | 109.5° | 109.5° |
| N12 | C11 | C10 | 116.7° | 109.5° |
| N12 | C11 | H112 | 107.6° | 109.5° |
| N12 | C11 | H111 | 107.6° | 109.5° |
| C11 | C10 | C09 | 114.7° | 109.5° |
| C11 | C10 | H1 | 108.2° | 109.5° |
| C11 | C10 | HC10 | 108.1° | 109.5° |
| C10 | C11 | H112 | 107.7° | 109.4° |
| C10 | C11 | H111 | 107.7° | 109.4° |
| C10 | C09 | C08 | 117.1° | 109.5° |
| C09 | C10 | H1 | 108.1° | 109.5° |
| C09 | C10 | HC10 | 108.2° | 109.4° |
| C10 | C09 | H092 | 107.5° | 109.4° |
| C10 | C09 | H091 | 107.5° | 109.5° |
| C09 | C08 | N07 | 115.0° | 120.0° |
| C09 | C08 | O15 | 120.4° | 120.0° |
| C08 | C09 | H092 | 107.5° | 109.5° |
| C08 | C09 | H091 | 107.5° | 109.5° |
| N04 | C05 | C06 | 122.9° | 120.8° |
| C05 | N04 | C03 | 118.2° | 121.7° |
| N04 | C05 | HC05 | 118.5° | 119.6° |
| C05 | C06 | N07 | 116.5° | 120.5° |
| C05 | C06 | C16 | 118.7° | 119.2° |
| C06 | C05 | HC05 | 118.6° | 119.6° |
| C08 | N07 | C06 | 130.2° | 120.1° |
| N07 | C08 | O15 | 124.5° | 120.0° |
| C08 | N07 | HN07 | 114.9° | 120.0° |
| N07 | C06 | C16 | 124.6° | 120.3° |
| C06 | N07 | HN07 | 114.9° | 119.9° |
| N04 | C03 | C02 | 116.3° | 119.6° |
| N04 | C03 | C17 | 122.5° | 120.7° |
| C06 | C16 | C17 | 119.1° | 118.4° |
| C06 | C16 | HC16 | 120.5° | 120.8° |
| C02 | C03 | C17 | 121.0° | 119.7° |
| C03 | C02 | O01 | 119.9° | 120.0° |
| C03 | C02 | N18 | 116.4° | 120.0° |
| C03 | C17 | C16 | 118.6° | 119.2° |
| C03 | C17 | HC17 | 120.7° | 120.4° |
| O01 | C02 | N18 | 123.7° | 120.0° |
| C16 | C17 | HC17 | 120.7° | 120.5° |
| C17 | C16 | HC16 | 120.4° | 120.8° |
| C02 | N18 | C19 | 126.5° | 120.0° |
| C02 | N18 | HN18 | 116.7° | 120.0° |
| C28 | N27 | C26 | 116.2° | 121.0° |
| N27 | C28 | C29 | 122.6° | 119.3° |
| N27 | C28 | HC28 | 118.7° | 120.4° |
| N27 | C26 | N25 | 119.2° | 119.1° |
| N27 | C26 | N41 | 124.2° | 121.7° |
| C26 | N25 | C24 | 119.8° | 120.0° |
| N25 | C26 | N41 | 116.4° | 119.1° |
| C26 | N25 | HN25 | 106.8° | 120.0° |
| N25 | C24 | C42 | 111.1° | 109.5° |
| N25 | C24 | C23 | 112.0° | 109.5° |
| N25 | C24 | HC24 | 109.3° | 109.5° |
| C24 | N25 | HN25 | 106.9° | 120.0° |
| C24 | C42 | C19 | 111.5° | 109.5° |
| C42 | C24 | C23 | 107.3° | 109.5° |
| C42 | C24 | HC24 | 108.6° | 109.5° |
| C24 | C42 | H422 | 109.0° | 109.4° |
| C24 | C42 | H421 | 109.0° | 109.5° |
| C42 | C19 | N18 | 110.9° | 109.4° |
| C42 | C19 | C20 | 114.5° | 109.5° |
| C42 | C19 | C21 | 105.1° | 109.5° |
| C19 | C42 | H422 | 108.9° | 109.5° |
| C19 | C42 | H421 | 108.9° | 109.5° |
| C28 | C29 | CL30 | 120.8° | 120.8° |
| C28 | C29 | C31 | 116.6° | 118.4° |
| C29 | C28 | HC28 | 118.7° | 120.3° |
| N18 | C19 | C20 | 105.4° | 109.5° |
| N18 | C19 | C21 | 111.6° | 109.5° |
| C19 | N18 | HN18 | 116.8° | 120.0° |
| C26 | N41 | C31 | 119.7° | 120.6° |
| C24 | C23 | C22 | 110.7° | 109.5° |
| C23 | C24 | HC24 | 108.3° | 109.5° |
| C24 | C23 | H232 | 109.1° | 109.5° |
| C24 | C23 | H231 | 109.2° | 109.5° |
| C20 | C19 | C21 | 109.4° | 109.5° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.5° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C21 | C22 | 113.8° | 109.5° |
| C19 | C21 | H211 | 108.4° | 109.5° |
| C19 | C21 | H212 | 108.4° | 109.5° |
| CL30 | C29 | C31 | 122.5° | 120.8° |
| C29 | C31 | N41 | 120.3° | 119.0° |
| C29 | C31 | C32 | 129.4° | 120.5° |
| N41 | C31 | C32 | 110.2° | 120.6° |
| C23 | C22 | C21 | 111.0° | 109.5° |
| C23 | C22 | H222 | 109.1° | 109.4° |
| C23 | C22 | H221 | 109.1° | 109.5° |
| C22 | C23 | H232 | 109.2° | 109.5° |
| C22 | C23 | H231 | 109.2° | 109.5° |
| C22 | C21 | H211 | 108.4° | 109.5° |
| C22 | C21 | H212 | 108.4° | 109.5° |
| C21 | C22 | H222 | 109.1° | 109.5° |
| C21 | C22 | H221 | 109.1° | 109.5° |
| C31 | C32 | C36 | 127.4° | 126.7° |
| C31 | C32 | C33 | 126.7° | 126.7° |
| C36 | C32 | C33 | 105.8° | 106.6° |
| C32 | C36 | C37 | 134.7° | 134.0° |
| C32 | C36 | C35 | 107.3° | 106.0° |
| C32 | C33 | N34 | 109.9° | 109.8° |
| C32 | C33 | HC33 | 125.0° | 125.1° |
| C36 | C37 | C38 | 119.6° | 119.7° |
| C37 | C36 | C35 | 118.0° | 120.0° |
| C36 | C37 | HC37 | 120.2° | 120.1° |
| C37 | C38 | C39 | 120.7° | 120.3° |
| C38 | C37 | HC37 | 120.2° | 120.2° |
| C37 | C38 | HC38 | 119.7° | 119.9° |
| C36 | C35 | N34 | 106.7° | 107.4° |
| C36 | C35 | C40 | 122.5° | 119.4° |
| C33 | N34 | C35 | 110.2° | 110.2° |
| N34 | C33 | HC33 | 125.0° | 125.1° |
| C33 | N34 | HN34 | 124.9° | 124.9° |
| C38 | C39 | C40 | 121.7° | 120.6° |
| C39 | C38 | HC38 | 119.6° | 119.8° |
| C38 | C39 | HC39 | 119.2° | 119.7° |
| N34 | C35 | C40 | 130.8° | 133.2° |
| C35 | N34 | HN34 | 124.9° | 124.9° |
| C35 | C40 | C39 | 117.5° | 119.9° |
| C35 | C40 | HC40 | 121.3° | 120.0° |
| C40 | C39 | HC39 | 119.1° | 119.7° |
| C39 | C40 | HC40 | 121.3° | 120.1° |
| H1 | C10 | HC10 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H203 | C20 | H202 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.4° | 109.4° |
| H143 | C14 | H142 | 109.5° | 109.4° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N12 | C14 | C11 | 130.1° | 123.9° |
| C13 | N12 | C11 | C10 | 56.1° | 66.0° |
| N12 | C13 | H132 | H131 | 120.0° | 119.9° |
| N12 | C13 | H132 | H133 | 120.0° | 120.0° |
| N12 | C13 | H131 | H133 | 120.0° | 119.9° |
| C13 | N12 | C11 | H112 | 65.0° | 174.0° |
| C13 | N12 | C11 | H111 | 177.1° | 54.0° |
| C13 | N12 | C14 | H143 | 180.0° | 63.9° |
| C13 | N12 | C14 | H142 | 60.0° | 56.0° |
| C13 | N12 | C14 | H141 | 60.0° | 176.1° |
| C14 | N12 | C11 | C10 | 177.6° | 170.0° |
| C14 | N12 | C13 | H132 | 180.0° | 176.0° |
| C14 | N12 | C13 | H131 | 60.0° | 56.0° |
| C14 | N12 | C13 | H133 | 60.0° | 63.9° |
| C14 | N12 | C11 | H112 | 61.4° | 50.0° |
| C14 | N12 | C11 | H111 | 56.5° | 70.0° |
| N12 | C14 | H143 | H142 | 120.0° | 120.0° |
| N12 | C14 | H143 | H141 | 120.0° | 120.0° |
| N12 | C14 | H142 | H141 | 120.0° | 120.0° |
| N12 | C11 | C10 | H112 | 121.1° | 120.0° |
| N12 | C11 | C10 | H111 | 121.0° | 120.1° |
| N12 | C11 | C10 | C09 | 151.0° | 180.0° |
| N12 | C11 | C10 | H1 | 30.3° | 60.0° |
| N12 | C11 | C10 | HC10 | 88.2° | 60.0° |
| C11 | N12 | C13 | H132 | 54.2° | 60.0° |
| C11 | N12 | C13 | H131 | 174.2° | 180.0° |
| C11 | N12 | C13 | H133 | 65.8° | 60.0° |
| N12 | C11 | H112 | H111 | 116.7° | 120.1° |
| C11 | N12 | C14 | H143 | 49.9° | 60.0° |
| C11 | N12 | C14 | H142 | 70.2° | 180.0° |
| C11 | N12 | C14 | H141 | 169.8° | 60.0° |
| C11 | C10 | C09 | H1 | 120.8° | 120.0° |
| C11 | C10 | C09 | HC10 | 120.7° | 120.0° |
| C11 | C10 | C09 | C08 | 32.4° | 180.0° |
| C11 | C10 | H1 | HC10 | 117.6° | 120.0° |
| C11 | C10 | C09 | H092 | 88.7° | 60.0° |
| C11 | C10 | C09 | H091 | 153.5° | 60.0° |
| C10 | C11 | H112 | H111 | 116.8° | 119.9° |
| C10 | C09 | C08 | H092 | 121.1° | 119.9° |
| C10 | C09 | C08 | H091 | 121.1° | 120.1° |
| C10 | C09 | C08 | N07 | 77.5° | 180.0° |
| C10 | C09 | C08 | O15 | 101.2° | 0.1° |
| C09 | C10 | H1 | HC10 | 117.6° | 119.9° |
| C10 | C09 | H092 | H091 | 116.5° | 120.0° |
| C09 | C10 | C11 | H112 | 87.9° | 59.9° |
| C09 | C10 | C11 | H111 | 30.0° | 60.0° |
| C09 | C08 | N07 | O15 | 178.6° | 179.9° |
| C09 | C08 | N07 | C06 | 176.2° | 175.6° |
| C08 | C09 | C10 | H1 | 153.2° | 59.9° |
| C08 | C09 | C10 | HC10 | 88.4° | 60.0° |
| C08 | C09 | H092 | H091 | 116.5° | 120.0° |
| C09 | C08 | N07 | HN07 | 3.8° | 4.4° |
| N04 | C05 | C06 | HC05 | 180.0° | 179.8° |
| N04 | C05 | C06 | N07 | 172.8° | 180.0° |
| N04 | C05 | C06 | C16 | 2.6° | 0.2° |
| C05 | N04 | C03 | C02 | 171.4° | 179.9° |
| C05 | N04 | C03 | C17 | 2.9° | 0.0° |
| C05 | C06 | N07 | C08 | 166.0° | 144.9° |
| C05 | C06 | N07 | C16 | 175.1° | 179.8° |
| C06 | C05 | N04 | C03 | 0.2° | 0.2° |
| C05 | C06 | C16 | C17 | 2.8° | 0.1° |
| C05 | C06 | C16 | HC16 | 177.2° | 179.9° |
| C05 | C06 | N07 | HN07 | 14.0° | 35.0° |
| C08 | N07 | C06 | HN07 | 180.0° | 180.0° |
| C08 | N07 | C06 | C16 | 18.9° | 35.2° |
| N07 | C08 | C09 | H092 | 43.6° | 60.1° |
| N07 | C08 | C09 | H091 | 161.4° | 59.9° |
| C06 | N07 | C08 | O15 | 5.2° | 4.5° |
| N07 | C06 | C16 | C17 | 172.2° | 179.7° |
| N07 | C06 | C05 | HC05 | 7.2° | 0.2° |
| N07 | C06 | C16 | HC16 | 7.9° | 0.3° |
| O15 | C08 | C09 | H092 | 137.7° | 120.0° |
| O15 | C08 | C09 | H091 | 19.9° | 120.0° |
| O15 | C08 | N07 | HN07 | 174.8° | 175.6° |
| N04 | C03 | C02 | C17 | 174.3° | 179.9° |
| N04 | C03 | C02 | O01 | 40.6° | 180.0° |
| N04 | C03 | C17 | C16 | 2.6° | 0.3° |
| N04 | C03 | C02 | N18 | 141.3° | 0.1° |
| N04 | C03 | C17 | HC17 | 177.4° | 179.9° |
| C03 | N04 | C05 | HC05 | 179.8° | 180.0° |
| C06 | C16 | C17 | C03 | 0.4° | 0.3° |
| C06 | C16 | C17 | HC16 | 180.0° | 180.0° |
| C06 | C16 | C17 | HC17 | 179.6° | 180.0° |
| C16 | C06 | C05 | HC05 | 177.4° | 180.0° |
| C16 | C06 | N07 | HN07 | 161.1° | 144.8° |
| C03 | C02 | O01 | N18 | 177.9° | 179.9° |
| C02 | C03 | C17 | C16 | 171.4° | 179.7° |
| C03 | C02 | N18 | C19 | 177.4° | 180.0° |
| C02 | C03 | C17 | HC17 | 8.6° | 0.0° |
| C03 | C02 | N18 | HN18 | 2.5° | 0.0° |
| C17 | C03 | C02 | O01 | 133.7° | 0.1° |
| C03 | C17 | C16 | HC17 | 180.0° | 179.7° |
| C17 | C03 | C02 | N18 | 44.3° | 180.0° |
| C03 | C17 | C16 | HC16 | 179.6° | 179.7° |
| O01 | C02 | N18 | C19 | 0.5° | 0.0° |
| O01 | C02 | N18 | HN18 | 179.5° | 180.0° |
| C02 | N18 | C19 | C42 | 57.0° | 180.0° |
| C02 | N18 | C19 | HN18 | 180.0° | 180.0° |
| C02 | N18 | C19 | C20 | 67.4° | 60.0° |
| C02 | N18 | C19 | C21 | 173.9° | 60.0° |
| C28 | N27 | C26 | N25 | 173.6° | 179.7° |
| N27 | C28 | C29 | HC28 | 180.0° | 179.8° |
| C28 | N27 | C26 | N41 | 0.6° | 0.0° |
| N27 | C28 | C29 | CL30 | 179.3° | 179.8° |
| N27 | C28 | C29 | C31 | 2.1° | 0.2° |
| N27 | C26 | N25 | N41 | 174.7° | 179.7° |
| N27 | C26 | N25 | C24 | 165.0° | 0.3° |
| C26 | N27 | C28 | C29 | 0.3° | 0.0° |
| N27 | C26 | N41 | C31 | 4.2° | 0.3° |
| C26 | N27 | C28 | HC28 | 179.7° | 179.8° |
| N27 | C26 | N25 | HN25 | 73.6° | 179.7° |
| C26 | N25 | C24 | HN25 | 121.5° | 180.0° |
| C26 | N25 | C24 | C42 | 170.3° | 155.0° |
| C26 | N25 | C24 | C23 | 69.6° | 85.0° |
| N25 | C26 | N41 | C31 | 170.2° | 180.0° |
| C26 | N25 | C24 | HC24 | 50.5° | 35.0° |
| N25 | C24 | C42 | C23 | 122.8° | 120.0° |
| N25 | C24 | C42 | HC24 | 120.3° | 120.0° |
| N25 | C24 | C42 | C19 | 170.6° | 180.0° |
| C24 | N25 | C26 | N41 | 9.7° | 180.0° |
| N25 | C24 | C23 | HC24 | 120.7° | 120.0° |
| N25 | C24 | C23 | C22 | 177.9° | 180.0° |
| N25 | C24 | C23 | H232 | 61.9° | 60.0° |
| N25 | C24 | C23 | H231 | 57.8° | 60.0° |
| N25 | C24 | C42 | H422 | 50.4° | 60.0° |
| N25 | C24 | C42 | H421 | 69.1° | 60.0° |
| C24 | C42 | C19 | H422 | 120.3° | 120.0° |
| C24 | C42 | C19 | H421 | 120.3° | 120.0° |
| C24 | C42 | C19 | N18 | 176.0° | 180.0° |
| C42 | C24 | C23 | HC24 | 117.1° | 120.0° |
| C24 | C42 | C19 | C20 | 57.0° | 60.0° |
| C24 | C42 | C19 | C21 | 63.2° | 60.0° |
| C42 | C24 | C23 | C22 | 59.8° | 60.0° |
| C42 | C24 | C23 | H232 | 60.3° | 180.0° |
| C42 | C24 | C23 | H231 | 180.0° | 60.0° |
| C24 | C42 | H422 | H421 | 119.1° | 120.0° |
| C42 | C24 | N25 | HN25 | 48.9° | 25.0° |
| C42 | C19 | N18 | C20 | 124.4° | 120.0° |
| C42 | C19 | N18 | C21 | 116.9° | 120.0° |
| C19 | C42 | C24 | C23 | 66.6° | 60.0° |
| C42 | C19 | C20 | C21 | 117.7° | 120.0° |
| C42 | C19 | C21 | C22 | 55.5° | 60.0° |
| C42 | C19 | C20 | H201 | 180.0° | 60.0° |
| C42 | C19 | C20 | H203 | 60.0° | 60.0° |
| C42 | C19 | C20 | H202 | 60.0° | 180.0° |
| C42 | C19 | C21 | H211 | 176.1° | 60.0° |
| C42 | C19 | C21 | H212 | 65.2° | 180.0° |
| C19 | C42 | C24 | HC24 | 50.3° | 60.0° |
| C19 | C42 | H422 | H421 | 119.1° | 120.0° |
| C42 | C19 | N18 | HN18 | 123.0° | 0.0° |
| C28 | C29 | CL30 | C31 | 177.0° | 180.0° |
| C28 | C29 | C31 | N41 | 5.7° | 0.5° |
| C28 | C29 | C31 | C32 | 170.7° | 180.0° |
| N18 | C19 | C20 | C21 | 120.2° | 120.0° |
| N18 | C19 | C21 | C22 | 175.8° | 180.0° |
| N18 | C19 | C20 | H201 | 57.9° | 180.0° |
| N18 | C19 | C20 | H203 | 177.9° | 60.0° |
| N18 | C19 | C20 | H202 | 62.1° | 60.0° |
| N18 | C19 | C21 | H211 | 63.6° | 60.0° |
| N18 | C19 | C21 | H212 | 55.1° | 60.0° |
| N18 | C19 | C42 | H422 | 55.7° | 60.0° |
| N18 | C19 | C42 | H421 | 63.7° | 60.0° |
| C26 | N41 | C31 | C29 | 6.8° | 0.5° |
| C26 | N41 | C31 | C32 | 170.3° | 180.0° |
| N41 | C26 | N25 | HN25 | 111.8° | 0.0° |
| C24 | C23 | C22 | H232 | 120.2° | 120.0° |
| C24 | C23 | C22 | H231 | 120.2° | 120.0° |
| C24 | C23 | C22 | C21 | 53.5° | 60.0° |
| C24 | C23 | C22 | H222 | 173.7° | 60.0° |
| C24 | C23 | C22 | H221 | 66.8° | 180.0° |
| C24 | C23 | H232 | H231 | 119.4° | 120.0° |
| C23 | C24 | C42 | H422 | 173.1° | 180.0° |
| C23 | C24 | C42 | H421 | 53.7° | 60.0° |
| C23 | C24 | N25 | HN25 | 168.9° | 95.0° |
| C20 | C19 | C21 | C22 | 68.0° | 60.0° |
| C19 | C20 | H201 | H203 | 120.0° | 120.0° |
| C19 | C20 | H201 | H202 | 120.0° | 120.0° |
| C19 | C20 | H203 | H202 | 120.0° | 120.0° |
| C20 | C19 | C21 | H211 | 52.7° | 180.0° |
| C20 | C19 | C21 | H212 | 171.4° | 60.0° |
| C20 | C19 | C42 | H422 | 63.3° | 60.0° |
| C20 | C19 | C42 | H421 | 177.3° | 180.0° |
| C20 | C19 | N18 | HN18 | 112.6° | 120.0° |
| C19 | C21 | C22 | C23 | 53.1° | 60.0° |
| C19 | C21 | C22 | H211 | 120.7° | 120.0° |
| C19 | C21 | C22 | H212 | 120.6° | 120.0° |
| C21 | C19 | C20 | H201 | 62.3° | 60.0° |
| C21 | C19 | C20 | H203 | 57.7° | 180.0° |
| C21 | C19 | C20 | H202 | 177.7° | 60.0° |
| C19 | C21 | H211 | H212 | 118.1° | 120.0° |
| C19 | C21 | C22 | H222 | 173.3° | 59.9° |
| C19 | C21 | C22 | H221 | 67.2° | 180.0° |
| C21 | C19 | C42 | H422 | 176.5° | 180.0° |
| C21 | C19 | C42 | H421 | 57.1° | 60.0° |
| C21 | C19 | N18 | HN18 | 6.1° | 120.0° |
| CL30 | C29 | C31 | N41 | 177.2° | 179.5° |
| CL30 | C29 | C31 | C32 | 6.4° | 0.0° |
| CL30 | C29 | C28 | HC28 | 0.7° | 0.0° |
| C29 | C31 | N41 | C32 | 177.1° | 179.5° |
| C29 | C31 | C32 | C36 | 157.2° | 130.6° |
| C29 | C31 | C32 | C33 | 26.7° | 49.9° |
| C31 | C29 | C28 | HC28 | 177.8° | 180.0° |
| N41 | C31 | C32 | C36 | 26.0° | 49.9° |
| N41 | C31 | C32 | C33 | 150.0° | 129.6° |
| C23 | C22 | C21 | H222 | 120.2° | 120.0° |
| C23 | C22 | C21 | H221 | 120.2° | 120.0° |
| C23 | C22 | C21 | H211 | 173.7° | 60.0° |
| C23 | C22 | C21 | H212 | 67.6° | 180.0° |
| C23 | C22 | H222 | H221 | 119.3° | 120.0° |
| C22 | C23 | C24 | HC24 | 57.3° | 60.0° |
| C22 | C23 | H232 | H231 | 119.5° | 120.0° |
| C22 | C21 | H211 | H212 | 118.0° | 120.0° |
| C21 | C22 | H222 | H221 | 119.3° | 120.1° |
| C21 | C22 | C23 | H232 | 66.7° | 180.0° |
| C21 | C22 | C23 | H231 | 173.6° | 60.0° |
| C31 | C32 | C36 | C33 | 176.7° | 179.6° |
| C31 | C32 | C36 | C37 | 4.3° | 0.1° |
| C31 | C32 | C36 | C35 | 177.0° | 180.0° |
| C31 | C32 | C33 | N34 | 176.1° | 180.0° |
| C31 | C32 | C33 | HC33 | 3.9° | 0.2° |
| C32 | C36 | C37 | C35 | 178.6° | 179.9° |
| C32 | C36 | C37 | C38 | 178.9° | 179.9° |
| C36 | C32 | C33 | N34 | 0.6° | 0.3° |
| C32 | C36 | C35 | N34 | 1.2° | 0.2° |
| C32 | C36 | C35 | C40 | 179.8° | 180.0° |
| C36 | C32 | C33 | HC33 | 179.4° | 179.8° |
| C32 | C36 | C37 | HC37 | 1.1° | 0.1° |
| C33 | C32 | C36 | C37 | 179.0° | 179.7° |
| C33 | C32 | C36 | C35 | 0.3° | 0.3° |
| C32 | C33 | N34 | HC33 | 180.0° | 179.9° |
| C32 | C33 | N34 | C35 | 1.4° | 0.2° |
| C32 | C33 | N34 | HN34 | 178.6° | 180.0° |
| C36 | C37 | C38 | HC37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.7° | 0.1° |
| C37 | C36 | C35 | N34 | 179.9° | 179.9° |
| C37 | C36 | C35 | C40 | 1.2° | 0.1° |
| C36 | C37 | C38 | HC38 | 179.3° | 180.0° |
| C38 | C37 | C36 | C35 | 2.5° | 0.0° |
| C37 | C38 | C39 | HC38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 2.5° | 0.0° |
| C37 | C38 | C39 | HC39 | 177.5° | 179.9° |
| C36 | C35 | N34 | C33 | 1.6° | 0.0° |
| C36 | C35 | N34 | C40 | 178.5° | 179.7° |
| C36 | C35 | C40 | C39 | 1.8° | 0.1° |
| C35 | C36 | C37 | HC37 | 177.5° | 180.0° |
| C36 | C35 | C40 | HC40 | 178.2° | 179.8° |
| C36 | C35 | N34 | HN34 | 178.4° | 179.8° |
| C33 | N34 | C35 | HN34 | 180.0° | 179.8° |
| C33 | N34 | C35 | C40 | 179.9° | 179.7° |
| C38 | C39 | C40 | C35 | 3.7° | 0.1° |
| C38 | C39 | C40 | HC39 | 180.0° | 180.0° |
| C39 | C38 | C37 | HC37 | 179.3° | 180.0° |
| C38 | C39 | C40 | HC40 | 176.3° | 179.8° |
| N34 | C35 | C40 | C39 | 176.5° | 179.8° |
| C35 | N34 | C33 | HC33 | 178.6° | 179.9° |
| N34 | C35 | C40 | HC40 | 3.5° | 0.1° |
| C35 | C40 | C39 | HC40 | 180.0° | 179.9° |
| C35 | C40 | C39 | HC39 | 176.3° | 179.9° |
| C40 | C35 | N34 | HN34 | 0.1° | 0.1° |
| C40 | C39 | C38 | HC38 | 177.5° | 179.9° |
| H1 | C10 | C09 | H092 | 32.1° | 60.0° |
| H1 | C10 | C09 | H091 | 85.7° | 180.0° |
| H1 | C10 | C11 | H112 | 151.3° | 180.0° |
| H1 | C10 | C11 | H111 | 90.8° | 60.1° |
| HC10 | C10 | C09 | H092 | 150.6° | 180.0° |
| HC10 | C10 | C09 | H091 | 32.7° | 60.0° |
| HC10 | C10 | C11 | H112 | 32.8° | 60.0° |
| HC10 | C10 | C11 | H111 | 150.7° | 179.9° |
| H132 | C13 | H131 | H133 | 120.0° | 120.1° |
| HC17 | C17 | C16 | HC16 | 0.4° | 0.0° |
| H201 | C20 | H203 | H202 | 120.0° | 120.0° |
| H211 | C21 | C22 | H222 | 66.1° | 180.0° |
| H211 | C21 | C22 | H221 | 53.5° | 60.0° |
| H212 | C21 | C22 | H222 | 52.6° | 60.0° |
| H212 | C21 | C22 | H221 | 172.2° | 60.0° |
| H222 | C22 | C23 | H232 | 53.5° | 60.0° |
| H222 | C22 | C23 | H231 | 66.1° | 180.0° |
| H221 | C22 | C23 | H232 | 173.1° | 60.0° |
| H221 | C22 | C23 | H231 | 53.4° | 60.0° |
| HC24 | C24 | C23 | H232 | 177.4° | 60.0° |
| HC24 | C24 | C23 | H231 | 62.9° | 180.0° |
| HC24 | C24 | C42 | H422 | 69.9° | 60.0° |
| HC24 | C24 | C42 | H421 | 170.6° | 180.0° |
| HC24 | C24 | N25 | HN25 | 71.0° | 145.0° |
| H143 | C14 | H142 | H141 | 120.0° | 120.0° |
| HC33 | C33 | N34 | HN34 | 1.4° | 0.1° |
| HC37 | C37 | C38 | HC38 | 0.7° | 0.1° |
| HC38 | C38 | C39 | HC39 | 2.5° | 0.0° |
| HC39 | C39 | C40 | HC40 | 3.7° | 0.2° |
