737
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CX | CY | sing | 1.53Å | 1.54Å | |
| CX | CZ | sing | 1.47Å | 1.55Å | |
| CX | OX | doub | 1.23Å | 1.41Å | |
| CY | N05 | sing | 1.44Å | 1.44Å | |
| CY | C06 | sing | 1.53Å | 1.53Å | |
| CY | HY | sing | 1.09Å | 1.10Å | |
| CZ | N31 | doub | 1.29Å | 1.28Å | Aromatic |
| CZ | S34 | sing | 1.69Å | 1.72Å | Aromatic |
| N05 | C13 | sing | 1.39Å | 1.30Å | |
| N05 | H05 | sing | 1.02Å | 1.00Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | H061 | sing | 1.10Å | 1.10Å | |
| C06 | H062 | sing | 1.10Å | 1.10Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| C07 | H071 | sing | 1.10Å | 1.10Å | |
| C07 | H072 | sing | 1.10Å | 1.10Å | |
| C08 | N09 | sing | 1.44Å | 1.45Å | |
| C08 | H081 | sing | 1.10Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| N09 | C10 | sing | 1.38Å | 1.42Å | |
| N09 | H09 | sing | 1.02Å | 1.00Å | |
| C10 | N11 | sing | 1.37Å | 1.41Å | |
| C10 | N12 | doub | 1.31Å | 1.28Å | |
| N11 | H111 | sing | 1.01Å | 1.00Å | |
| N11 | H112 | sing | 1.01Å | 1.00Å | |
| N12 | H12 | sing | 1.03Å | 1.00Å | |
| C13 | O14 | doub | 1.23Å | 1.23Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | N16 | sing | 1.46Å | 1.46Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N16 | C17 | sing | 1.40Å | 1.38Å | |
| N16 | C21 | sing | 1.40Å | 1.38Å | |
| C17 | N18 | doub | 1.30Å | 1.36Å | |
| C17 | C23 | sing | 1.48Å | 1.50Å | |
| N18 | C19 | sing | 1.37Å | 1.37Å | |
| C19 | C20 | doub | 1.34Å | 1.42Å | |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C20 | C21 | sing | 1.49Å | 1.42Å | |
| C20 | N22 | sing | 1.36Å | 1.43Å | |
| C21 | O30 | doub | 1.23Å | 1.24Å | |
| N22 | C35 | sing | 1.44Å | 59.17Å | |
| N22 | H22 | sing | 0.99Å | 1.00Å | |
| C23 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.45Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C25 | C26 | doub | 1.39Å | 1.43Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | C27 | sing | 1.39Å | 1.43Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C27 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C27 | C29 | sing | 1.49Å | 1.52Å | |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| C29 | H291 | sing | 1.10Å | 1.10Å | |
| C29 | H292 | sing | 1.10Å | 1.10Å | |
| C29 | H293 | sing | 1.10Å | 1.10Å | |
| N31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | S34 | sing | 1.72Å | 1.69Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | sing | 1.50Å | 0.00Å | |
| C35 | H351 | sing | 1.10Å | 0.00Å | |
| C35 | H352 | sing | 1.09Å | 0.00Å | |
| C36 | C37 | doub | 1.40Å | 0.00Å | Aromatic |
| C36 | C45 | sing | 1.39Å | 0.00Å | Aromatic |
| C37 | C38 | sing | 1.39Å | 0.00Å | Aromatic |
| C37 | H37 | sing | 1.09Å | 0.00Å | |
| C38 | C39 | doub | 1.39Å | 0.00Å | Aromatic |
| C38 | H38 | sing | 1.09Å | 0.00Å | |
| C39 | C40 | sing | 1.41Å | 0.00Å | Aromatic |
| C39 | H39 | sing | 1.09Å | 0.00Å | |
| C40 | C41 | doub | 1.40Å | 0.00Å | Aromatic |
| C40 | C45 | sing | 1.41Å | 0.00Å | Aromatic |
| C41 | C42 | sing | 1.39Å | 0.00Å | Aromatic |
| C41 | H41 | sing | 1.09Å | 0.00Å | |
| C42 | C43 | doub | 1.38Å | 0.00Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 0.00Å | |
| C43 | N44 | sing | 1.35Å | 0.00Å | Aromatic |
| C43 | H43 | sing | 1.09Å | 0.00Å | |
| N44 | C45 | doub | 1.35Å | 0.00Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CY | CX | CZ | 114.8° | 118.8° |
| CY | CX | OX | 110.4° | 119.3° |
| CX | CY | N05 | 107.0° | 106.7° |
| CX | CY | C06 | 111.1° | 110.5° |
| CX | CY | HY | 109.1° | 110.5° |
| CZ | CX | OX | 105.3° | 121.9° |
| CX | CZ | N31 | 120.6° | 121.2° |
| CX | CZ | S34 | 122.1° | 119.1° |
| N05 | CY | C06 | 106.5° | 111.7° |
| N05 | CY | HY | 113.5° | 105.3° |
| CY | N05 | C13 | 130.1° | 123.4° |
| CY | N05 | H05 | 115.0° | 118.3° |
| C06 | CY | HY | 109.6° | 111.8° |
| CY | C06 | C07 | 111.7° | 112.2° |
| CY | C06 | H061 | 108.7° | 110.0° |
| CY | C06 | H062 | 108.2° | 109.4° |
| N31 | CZ | S34 | 117.3° | 119.8° |
| CZ | N31 | C32 | 109.9° | 107.0° |
| CZ | S34 | C33 | 87.7° | 87.7° |
| C13 | N05 | H05 | 115.0° | 118.4° |
| N05 | C13 | O14 | 124.5° | 125.2° |
| N05 | C13 | C15 | 113.0° | 111.4° |
| C07 | C06 | H061 | 108.7° | 109.4° |
| C07 | C06 | H062 | 108.2° | 109.3° |
| C06 | C07 | C08 | 111.7° | 112.5° |
| C06 | C07 | H071 | 108.7° | 109.6° |
| C06 | C07 | H072 | 108.2° | 109.4° |
| H061 | C06 | H062 | 111.2° | 106.3° |
| C08 | C07 | H071 | 108.7° | 109.8° |
| C08 | C07 | H072 | 108.2° | 108.2° |
| C07 | C08 | N09 | 107.4° | 111.0° |
| C07 | C08 | H081 | 110.2° | 110.6° |
| C07 | C08 | H082 | 110.6° | 109.6° |
| H071 | C07 | H072 | 111.3° | 107.1° |
| N09 | C08 | H081 | 110.2° | 109.5° |
| N09 | C08 | H082 | 110.6° | 108.6° |
| C08 | N09 | C10 | 124.9° | 127.0° |
| C08 | N09 | H09 | 117.5° | 115.7° |
| H081 | C08 | H082 | 107.9° | 107.5° |
| C10 | N09 | H09 | 117.5° | 117.3° |
| N09 | C10 | N11 | 118.2° | 117.1° |
| N09 | C10 | N12 | 122.9° | 121.1° |
| N11 | C10 | N12 | 118.9° | 121.8° |
| C10 | N11 | H111 | 108.2° | 122.3° |
| C10 | N11 | H112 | 125.9° | 121.0° |
| C10 | N12 | H12 | 108.2° | 108.6° |
| H111 | N11 | H112 | 125.9° | 116.7° |
| O14 | C13 | C15 | 122.5° | 123.4° |
| C13 | C15 | N16 | 106.4° | 109.6° |
| C13 | C15 | H151 | 110.5° | 109.7° |
| C13 | C15 | H152 | 111.2° | 109.9° |
| N16 | C15 | H151 | 110.5° | 109.2° |
| N16 | C15 | H152 | 111.1° | 109.1° |
| C15 | N16 | C17 | 123.1° | 121.9° |
| C15 | N16 | C21 | 119.6° | 117.4° |
| H151 | C15 | H152 | 107.2° | 109.3° |
| C17 | N16 | C21 | 117.3° | 120.7° |
| N16 | C17 | N18 | 123.4° | 124.1° |
| N16 | C17 | C23 | 120.4° | 118.6° |
| N16 | C21 | C20 | 122.9° | 114.1° |
| N16 | C21 | O30 | 120.5° | 125.6° |
| N18 | C17 | C23 | 116.2° | 117.3° |
| C17 | N18 | C19 | 118.5° | 116.8° |
| C17 | C23 | C24 | 119.6° | 119.7° |
| C17 | C23 | C28 | 121.6° | 119.7° |
| N18 | C19 | C20 | 122.9° | 125.7° |
| N18 | C19 | H19 | 118.5° | 114.4° |
| C20 | C19 | H19 | 118.5° | 119.9° |
| C19 | C20 | C21 | 115.0° | 118.6° |
| C19 | C20 | N22 | 123.7° | 122.9° |
| C21 | C20 | N22 | 121.2° | 118.5° |
| C20 | C21 | O30 | 116.6° | 120.3° |
| C20 | N22 | C35 | 124.6° | 120.7° |
| C20 | N22 | H22 | 104.7° | 116.9° |
| C35 | N22 | H22 | 104.7° | 122.5° |
| N22 | C35 | C36 | 90.0° | 112.0° |
| N22 | C35 | H351 | 90.0° | 107.9° |
| N22 | C35 | H352 | 90.0° | 107.8° |
| C24 | C23 | C28 | 118.8° | 120.7° |
| C23 | C24 | C25 | 120.2° | 119.7° |
| C23 | C24 | H24 | 119.9° | 121.0° |
| C23 | C28 | C27 | 121.2° | 119.7° |
| C23 | C28 | H28 | 119.4° | 120.4° |
| C25 | C24 | H24 | 119.8° | 119.4° |
| C24 | C25 | C26 | 120.9° | 120.0° |
| C24 | C25 | H25 | 119.6° | 120.0° |
| C26 | C25 | H25 | 119.6° | 120.0° |
| C25 | C26 | C27 | 120.3° | 120.0° |
| C25 | C26 | H26 | 119.9° | 119.5° |
| C27 | C26 | H26 | 119.9° | 120.5° |
| C26 | C27 | C28 | 118.6° | 120.0° |
| C26 | C27 | C29 | 120.4° | 119.9° |
| C28 | C27 | C29 | 121.0° | 120.0° |
| C27 | C28 | H28 | 119.4° | 119.9° |
| C27 | C29 | H291 | 109.5° | 110.4° |
| C27 | C29 | H292 | 109.5° | 111.3° |
| C27 | C29 | H293 | 109.5° | 111.3° |
| H291 | C29 | H292 | 109.5° | 108.5° |
| H291 | C29 | H293 | 109.5° | 108.5° |
| H292 | C29 | H293 | 109.5° | 106.8° |
| N31 | C32 | C33 | 113.3° | 115.9° |
| N31 | C32 | H32 | 123.3° | 119.2° |
| C33 | C32 | H32 | 123.3° | 124.9° |
| C32 | C33 | S34 | 111.8° | 109.6° |
| C32 | C33 | H33 | 124.1° | 128.7° |
| S34 | C33 | H33 | 124.1° | 121.8° |
| C36 | C35 | H351 | 90.0° | 110.6° |
| C36 | C35 | H352 | 90.0° | 111.0° |
| C35 | C36 | C37 | 90.0° | 117.9° |
| C35 | C36 | C45 | 90.0° | 120.2° |
| H351 | C35 | H352 | 90.0° | 107.3° |
| C37 | C36 | C45 | 90.0° | 121.9° |
| C36 | C37 | C38 | 90.0° | 119.9° |
| C36 | C37 | H37 | 90.0° | 120.6° |
| C36 | C45 | C40 | 90.0° | 117.9° |
| C36 | C45 | N44 | 90.0° | 120.2° |
| C38 | C37 | H37 | 90.0° | 119.5° |
| C37 | C38 | C39 | 90.0° | 119.6° |
| C37 | C38 | H38 | 90.0° | 120.2° |
| C39 | C38 | H38 | 90.0° | 120.2° |
| C38 | C39 | C40 | 90.0° | 120.4° |
| C38 | C39 | H39 | 90.0° | 119.0° |
| C40 | C39 | H39 | 90.0° | 120.6° |
| C39 | C40 | C41 | 90.0° | 121.6° |
| C39 | C40 | C45 | 90.0° | 120.3° |
| C41 | C40 | C45 | 90.0° | 118.1° |
| C40 | C41 | C42 | 90.0° | 120.2° |
| C40 | C41 | H41 | 90.0° | 120.7° |
| C40 | C45 | N44 | 90.0° | 121.8° |
| C42 | C41 | H41 | 90.0° | 119.1° |
| C41 | C42 | C43 | 90.0° | 117.5° |
| C41 | C42 | H42 | 90.0° | 121.2° |
| C43 | C42 | H42 | 90.0° | 121.3° |
| C42 | C43 | N44 | 90.0° | 124.1° |
| C42 | C43 | H43 | 90.0° | 120.7° |
| N44 | C43 | H43 | 90.0° | 115.1° |
| C43 | N44 | C45 | 90.0° | 118.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CY | CX | CZ | OX | 121.7° | 179.0° |
| CX | CY | N05 | C06 | 118.9° | 120.9° |
| CX | CY | N05 | HY | 120.4° | 117.5° |
| CX | CY | C06 | HY | 120.7° | 123.5° |
| CY | CX | CZ | N31 | 72.8° | 0.1° |
| CY | CX | CZ | S34 | 107.4° | 179.9° |
| CX | CY | N05 | C13 | 97.7° | 147.5° |
| CX | CY | N05 | H05 | 82.2° | 32.4° |
| CX | CY | C06 | C07 | 178.9° | 178.1° |
| CX | CY | C06 | H061 | 58.9° | 59.9° |
| CX | CY | C06 | H062 | 62.0° | 56.5° |
| CZ | CX | CY | N05 | 65.7° | 144.0° |
| CZ | CX | CY | C06 | 178.5° | 94.3° |
| CZ | CX | CY | HY | 57.5° | 30.0° |
| CX | CZ | N31 | S34 | 179.8° | 179.8° |
| CX | CZ | N31 | C32 | 179.7° | 179.9° |
| CX | CZ | S34 | C33 | 179.7° | 180.0° |
| OX | CX | CY | N05 | 175.5° | 35.0° |
| OX | CX | CY | C06 | 59.7° | 86.7° |
| OX | CX | CY | HY | 61.3° | 149.0° |
| OX | CX | CZ | N31 | 165.5° | 179.0° |
| OX | CX | CZ | S34 | 14.3° | 1.1° |
| N05 | CY | C06 | HY | 123.2° | 117.8° |
| CY | N05 | C13 | H05 | 180.0° | 179.9° |
| N05 | CY | C06 | C07 | 62.8° | 59.4° |
| N05 | CY | C06 | H061 | 57.2° | 178.6° |
| N05 | CY | C06 | H062 | 178.2° | 62.2° |
| CY | N05 | C13 | O14 | 0.1° | 0.1° |
| CY | N05 | C13 | C15 | 179.9° | 179.8° |
| C06 | CY | N05 | C13 | 143.4° | 91.7° |
| C06 | CY | N05 | H05 | 36.7° | 88.4° |
| CY | C06 | C07 | H061 | 120.0° | 122.3° |
| CY | C06 | C07 | H062 | 119.1° | 121.6° |
| CY | C06 | H061 | H062 | 119.1° | 118.3° |
| CY | C06 | C07 | C08 | 179.4° | 177.7° |
| CY | C06 | C07 | H071 | 60.6° | 55.2° |
| CY | C06 | C07 | H072 | 60.4° | 61.9° |
| HY | CY | N05 | C13 | 22.7° | 30.0° |
| HY | CY | N05 | H05 | 157.3° | 149.9° |
| HY | CY | C06 | C07 | 60.4° | 58.4° |
| HY | CY | C06 | H061 | 179.6° | 63.6° |
| HY | CY | C06 | H062 | 58.7° | 180.0° |
| CZ | N31 | C32 | C33 | 0.0° | 0.0° |
| CZ | N31 | C32 | H32 | 180.0° | 180.0° |
| N31 | CZ | S34 | C33 | 0.1° | 0.1° |
| S34 | CZ | N31 | C32 | 0.1° | 0.1° |
| CZ | S34 | C33 | C32 | 0.1° | 0.1° |
| CZ | S34 | C33 | H33 | 179.9° | 180.0° |
| N05 | C13 | O14 | C15 | 179.8° | 179.9° |
| N05 | C13 | C15 | N16 | 138.4° | 150.0° |
| N05 | C13 | C15 | H151 | 101.6° | 30.1° |
| N05 | C13 | C15 | H152 | 17.3° | 90.2° |
| H05 | N05 | C13 | O14 | 179.9° | 180.0° |
| H05 | N05 | C13 | C15 | 0.1° | 0.1° |
| C07 | C06 | H061 | H062 | 119.1° | 118.0° |
| C06 | C07 | C08 | H071 | 120.0° | 122.4° |
| C06 | C07 | C08 | H072 | 119.1° | 121.0° |
| C06 | C07 | H071 | H072 | 119.1° | 118.5° |
| C06 | C07 | C08 | N09 | 153.7° | 178.2° |
| C06 | C07 | C08 | H081 | 86.3° | 60.1° |
| C06 | C07 | C08 | H082 | 32.9° | 58.3° |
| H061 | C06 | C07 | C08 | 59.4° | 60.0° |
| H061 | C06 | C07 | H071 | 179.4° | 177.5° |
| H061 | C06 | C07 | H072 | 59.6° | 60.4° |
| H062 | C06 | C07 | C08 | 61.5° | 56.1° |
| H062 | C06 | C07 | H071 | 58.5° | 66.4° |
| H062 | C06 | C07 | H072 | 179.4° | 176.5° |
| C08 | C07 | H071 | H072 | 119.1° | 117.3° |
| C07 | C08 | N09 | H081 | 120.0° | 122.4° |
| C07 | C08 | N09 | H082 | 120.8° | 120.5° |
| C07 | C08 | H081 | H082 | 120.8° | 119.6° |
| C07 | C08 | N09 | C10 | 179.3° | 177.5° |
| C07 | C08 | N09 | H09 | 0.7° | 2.4° |
| H071 | C07 | C08 | N09 | 33.7° | 59.4° |
| H071 | C07 | C08 | H081 | 153.7° | 62.4° |
| H071 | C07 | C08 | H082 | 87.1° | 179.3° |
| H072 | C07 | C08 | N09 | 87.2° | 57.2° |
| H072 | C07 | C08 | H081 | 32.8° | 178.9° |
| H072 | C07 | C08 | H082 | 151.9° | 62.7° |
| N09 | C08 | H081 | H082 | 120.8° | 117.8° |
| C08 | N09 | C10 | H09 | 180.0° | 179.9° |
| C08 | N09 | C10 | N11 | 165.0° | 0.1° |
| C08 | N09 | C10 | N12 | 14.5° | 180.0° |
| H081 | C08 | N09 | C10 | 60.7° | 60.1° |
| H081 | C08 | N09 | H09 | 119.4° | 120.0° |
| H082 | C08 | N09 | C10 | 58.5° | 57.1° |
| H082 | C08 | N09 | H09 | 121.5° | 122.9° |
| N09 | C10 | N11 | N12 | 179.5° | 179.9° |
| N09 | C10 | N11 | H111 | 180.0° | 0.2° |
| N09 | C10 | N11 | H112 | 0.0° | 180.0° |
| N09 | C10 | N12 | H12 | 0.2° | 0.0° |
| H09 | N09 | C10 | N11 | 14.9° | 180.0° |
| H09 | N09 | C10 | N12 | 165.5° | 0.1° |
| C10 | N11 | H111 | H112 | 180.0° | 179.8° |
| N11 | C10 | N12 | H12 | 179.8° | 180.0° |
| N12 | C10 | N11 | H111 | 0.4° | 179.9° |
| N12 | C10 | N11 | H112 | 179.5° | 0.0° |
| O14 | C13 | C15 | N16 | 41.7° | 30.0° |
| O14 | C13 | C15 | H151 | 78.3° | 149.9° |
| O14 | C13 | C15 | H152 | 162.9° | 89.9° |
| C13 | C15 | N16 | H151 | 120.0° | 120.2° |
| C13 | C15 | N16 | H152 | 121.2° | 120.3° |
| C13 | C15 | H151 | H152 | 121.3° | 120.5° |
| C13 | C15 | N16 | C17 | 102.0° | 90.0° |
| C13 | C15 | N16 | C21 | 78.1° | 89.6° |
| N16 | C15 | H151 | H152 | 121.2° | 119.3° |
| C15 | N16 | C17 | C21 | 179.9° | 179.6° |
| C15 | N16 | C17 | N18 | 179.9° | 177.2° |
| C15 | N16 | C17 | C23 | 0.3° | 2.9° |
| C15 | N16 | C21 | C20 | 179.9° | 177.2° |
| C15 | N16 | C21 | O30 | 0.4° | 2.9° |
| H151 | C15 | N16 | C17 | 18.0° | 30.2° |
| H151 | C15 | N16 | C21 | 161.9° | 150.2° |
| H152 | C15 | N16 | C17 | 136.8° | 149.7° |
| H152 | C15 | N16 | C21 | 43.1° | 30.7° |
| N16 | C17 | N18 | C23 | 179.6° | 179.8° |
| N16 | C17 | N18 | C19 | 0.3° | 0.7° |
| C17 | N16 | C21 | C20 | 0.3° | 2.4° |
| C17 | N16 | C21 | O30 | 179.8° | 177.5° |
| N16 | C17 | C23 | C24 | 94.6° | 89.9° |
| N16 | C17 | C23 | C28 | 84.9° | 90.1° |
| C21 | N16 | C17 | N18 | 0.3° | 2.4° |
| C21 | N16 | C17 | C23 | 179.8° | 177.5° |
| N16 | C21 | C20 | C19 | 0.2° | 1.0° |
| N16 | C21 | C20 | O30 | 179.5° | 179.9° |
| N16 | C21 | C20 | N22 | 179.9° | 178.9° |
| C17 | N18 | C19 | C20 | 0.3° | 0.8° |
| C17 | N18 | C19 | H19 | 179.7° | 179.7° |
| N18 | C17 | C23 | C24 | 85.8° | 90.0° |
| N18 | C17 | C23 | C28 | 94.7° | 90.1° |
| C23 | C17 | N18 | C19 | 179.8° | 179.2° |
| C17 | C23 | C24 | C28 | 179.6° | 179.9° |
| C17 | C23 | C24 | C25 | 179.4° | 179.9° |
| C17 | C23 | C24 | H24 | 0.5° | 0.0° |
| C17 | C23 | C28 | C27 | 179.5° | 179.9° |
| C17 | C23 | C28 | H28 | 0.5° | 0.0° |
| N18 | C19 | C20 | H19 | 180.0° | 179.5° |
| N18 | C19 | C20 | C21 | 0.2° | 0.6° |
| N18 | C19 | C20 | N22 | 179.9° | 179.5° |
| C19 | C20 | C21 | N22 | 179.8° | 179.9° |
| C19 | C20 | C21 | O30 | 179.8° | 178.9° |
| C19 | C20 | N22 | C35 | 165.8° | 0.0° |
| C19 | C20 | N22 | H22 | 74.3° | 180.0° |
| H19 | C19 | C20 | C21 | 179.8° | 179.9° |
| H19 | C19 | C20 | N22 | 0.1° | 0.0° |
| C21 | C20 | N22 | C35 | 14.1° | 179.9° |
| C21 | C20 | N22 | H22 | 105.9° | 0.1° |
| N22 | C20 | C21 | O30 | 0.4° | 1.2° |
| C20 | N22 | C35 | H22 | 120.0° | 180.0° |
| C20 | N22 | C35 | C36 | 90.0° | 178.0° |
| C20 | N22 | C35 | H351 | 90.0° | 60.0° |
| C20 | N22 | C35 | H352 | 90.0° | 55.5° |
| N22 | C35 | C36 | H351 | 90.0° | 120.4° |
| N22 | C35 | C36 | H352 | 90.0° | 120.6° |
| N22 | C35 | H351 | H352 | 90.0° | 115.9° |
| N22 | C35 | C36 | C37 | 90.0° | 90.0° |
| N22 | C35 | C36 | C45 | 90.0° | 90.1° |
| H22 | N22 | C35 | C36 | 90.0° | 2.0° |
| H22 | N22 | C35 | H351 | 90.0° | 120.0° |
| H22 | N22 | C35 | H352 | 90.0° | 124.5° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C24 | C23 | C28 | C27 | 0.0° | 0.0° |
| C24 | C23 | C28 | H28 | 180.0° | 179.9° |
| C28 | C23 | C24 | C25 | 0.1° | 0.0° |
| C28 | C23 | C24 | H24 | 179.9° | 180.0° |
| C23 | C28 | C27 | C26 | 0.1° | 0.0° |
| C23 | C28 | C27 | H28 | 180.0° | 179.9° |
| C23 | C28 | C27 | C29 | 179.8° | 179.9° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.1° |
| C24 | C25 | C26 | H26 | 179.9° | 179.9° |
| H24 | C24 | C25 | C26 | 179.9° | 180.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 179.8° |
| C25 | C26 | C27 | C28 | 0.2° | 0.1° |
| C25 | C26 | C27 | C29 | 179.8° | 179.9° |
| H25 | C25 | C26 | C27 | 180.0° | 180.0° |
| H25 | C25 | C26 | H26 | 0.1° | 0.2° |
| C26 | C27 | C28 | C29 | 179.9° | 179.9° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| C26 | C27 | C29 | H291 | 107.4° | 123.9° |
| C26 | C27 | C29 | H292 | 12.6° | 3.4° |
| C26 | C27 | C29 | H293 | 132.6° | 115.6° |
| H26 | C26 | C27 | C28 | 179.8° | 179.9° |
| H26 | C26 | C27 | C29 | 0.2° | 0.1° |
| C28 | C27 | C29 | H291 | 72.7° | 56.0° |
| C28 | C27 | C29 | H292 | 167.3° | 176.5° |
| C28 | C27 | C29 | H293 | 47.3° | 64.5° |
| C29 | C27 | C28 | H28 | 0.2° | 0.0° |
| C27 | C29 | H291 | H292 | 120.0° | 122.2° |
| C27 | C29 | H291 | H293 | 120.0° | 122.2° |
| C27 | C29 | H292 | H293 | 120.0° | 121.6° |
| H291 | C29 | H292 | H293 | 120.0° | 116.7° |
| N31 | C32 | C33 | H32 | 180.0° | 180.0° |
| N31 | C32 | C33 | S34 | 0.0° | 0.1° |
| N31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C33 | S34 | H33 | 180.0° | 179.9° |
| H32 | C32 | C33 | S34 | 180.0° | 179.9° |
| H32 | C32 | C33 | H33 | 0.0° | 0.0° |
| C36 | C35 | H351 | H352 | 90.0° | 121.2° |
| C35 | C36 | C37 | C45 | 90.0° | 180.0° |
| C35 | C36 | C37 | C38 | 90.0° | 180.0° |
| C35 | C36 | C37 | H37 | 90.0° | 0.0° |
| C35 | C36 | C45 | C40 | 90.0° | 180.0° |
| C35 | C36 | C45 | N44 | 90.0° | 0.0° |
| H351 | C35 | C36 | C37 | 90.0° | 30.5° |
| H351 | C35 | C36 | C45 | 90.0° | 149.5° |
| H352 | C35 | C36 | C37 | 90.0° | 149.4° |
| H352 | C35 | C36 | C45 | 90.0° | 30.5° |
| C36 | C37 | C38 | H37 | 90.0° | 180.0° |
| C36 | C37 | C38 | C39 | 90.0° | 0.0° |
| C36 | C37 | C38 | H38 | 90.0° | 180.0° |
| C37 | C36 | C45 | C40 | 90.0° | 0.0° |
| C37 | C36 | C45 | N44 | 90.0° | 180.0° |
| C45 | C36 | C37 | C38 | 90.0° | 0.0° |
| C45 | C36 | C37 | H37 | 90.0° | 180.0° |
| C36 | C45 | C40 | C39 | 90.0° | 0.0° |
| C36 | C45 | C40 | C41 | 90.0° | 180.0° |
| C36 | C45 | C40 | N44 | 90.0° | 179.9° |
| C36 | C45 | N44 | C43 | 90.0° | 180.0° |
| C37 | C38 | C39 | H38 | 90.0° | 180.0° |
| C37 | C38 | C39 | C40 | 90.0° | 0.0° |
| C37 | C38 | C39 | H39 | 90.0° | 180.0° |
| H37 | C37 | C38 | C39 | 90.0° | 180.0° |
| H37 | C37 | C38 | H38 | 90.0° | 0.0° |
| C38 | C39 | C40 | H39 | 90.0° | 179.9° |
| C38 | C39 | C40 | C41 | 90.0° | 180.0° |
| C38 | C39 | C40 | C45 | 90.0° | 0.0° |
| H38 | C38 | C39 | C40 | 90.0° | 180.0° |
| H38 | C38 | C39 | H39 | 90.0° | 0.1° |
| C39 | C40 | C41 | C45 | 90.0° | 180.0° |
| C39 | C40 | C41 | C42 | 90.0° | 180.0° |
| C39 | C40 | C41 | H41 | 90.0° | 0.1° |
| C39 | C40 | C45 | N44 | 90.0° | 180.0° |
| H39 | C39 | C40 | C41 | 90.0° | 0.0° |
| H39 | C39 | C40 | C45 | 90.0° | 179.9° |
| C40 | C41 | C42 | H41 | 90.0° | 179.9° |
| C40 | C41 | C42 | C43 | 90.0° | 0.1° |
| C40 | C41 | C42 | H42 | 90.0° | 180.0° |
| C41 | C40 | C45 | N44 | 90.0° | 0.0° |
| C45 | C40 | C41 | C42 | 90.0° | 0.0° |
| C45 | C40 | C41 | H41 | 90.0° | 179.9° |
| C40 | C45 | N44 | C43 | 90.0° | 0.0° |
| C41 | C42 | C43 | H42 | 90.0° | 179.9° |
| C41 | C42 | C43 | N44 | 90.0° | 0.1° |
| C41 | C42 | C43 | H43 | 90.0° | 179.9° |
| H41 | C41 | C42 | C43 | 90.0° | 180.0° |
| H41 | C41 | C42 | H42 | 90.0° | 0.1° |
| C42 | C43 | N44 | H43 | 90.0° | 180.0° |
| C42 | C43 | N44 | C45 | 90.0° | 0.0° |
| H42 | C42 | C43 | N44 | 90.0° | 180.0° |
| H42 | C42 | C43 | H43 | 90.0° | 0.0° |
| H43 | C43 | N44 | C45 | 90.0° | 179.9° |
