BEI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
| C34 | C33 | sing | 1.51Å | 1.52Å | |
| C35 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | doub | 1.38Å | 1.43Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | doub | 1.38Å | 1.44Å | Aromatic |
| C40 | C45 | sing | 1.38Å | 1.42Å | Aromatic |
| C40 | C30 | sing | 1.51Å | 1.51Å | |
| C41 | C42 | sing | 1.38Å | 1.43Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | C43 | doub | 1.38Å | 1.41Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | C44 | sing | 1.38Å | 1.44Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | doub | 1.38Å | 1.43Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C30 | O29 | sing | 1.43Å | 1.47Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| O29 | C5 | sing | 1.43Å | 1.47Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.51Å | 1.47Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C4 | O28 | sing | 1.43Å | 1.48Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.57Å | |
| C3 | O27 | sing | 1.43Å | 1.46Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | O32 | sing | 1.43Å | 1.49Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | O17 | doub | 1.21Å | 1.23Å | |
| C1 | N18 | sing | 1.35Å | 1.36Å | |
| N18 | C19 | sing | 1.47Å | 1.48Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.53Å | 1.58Å | |
| C19 | C23 | sing | 1.51Å | 1.52Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | C22 | sing | 1.53Å | 1.58Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | C46 | sing | 1.53Å | 1.56Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C23 | O24 | doub | 1.21Å | 1.24Å | |
| C23 | N25 | sing | 1.35Å | 1.38Å | |
| N25 | C26 | sing | 1.47Å | 1.45Å | |
| N25 | H25 | sing | 0.97Å | 1.00Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| O32 | C33 | sing | 1.43Å | 1.46Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| O27 | H27 | sing | 0.97Å | 0.95Å | |
| O28 | H28 | sing | 0.97Å | 0.95Å | |
| C6 | O7 | doub | 1.21Å | 1.24Å | |
| C6 | N8 | sing | 1.35Å | 1.36Å | |
| N8 | C9 | sing | 1.46Å | 1.46Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.53Å | 1.59Å | |
| C9 | C13 | sing | 1.51Å | 1.50Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.58Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | C47 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C13 | O14 | doub | 1.21Å | 1.25Å | |
| C13 | N15 | sing | 1.35Å | 1.38Å | |
| N15 | C16 | sing | 1.46Å | 1.46Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C34 | C39 | 119.3° | 120.0° |
| C35 | C34 | C33 | 120.2° | 120.0° |
| C34 | C35 | C36 | 120.9° | 120.0° |
| C34 | C35 | H35 | 119.6° | 120.0° |
| C39 | C34 | C33 | 120.4° | 120.0° |
| C34 | C39 | C38 | 120.3° | 120.0° |
| C34 | C39 | H39 | 119.8° | 120.0° |
| C34 | C33 | O32 | 112.5° | 109.4° |
| C34 | C33 | H331 | 107.8° | 109.5° |
| C34 | C33 | H332 | 108.5° | 109.5° |
| C36 | C35 | H35 | 119.5° | 120.0° |
| C35 | C36 | C37 | 119.6° | 120.0° |
| C35 | C36 | H36 | 120.2° | 120.0° |
| C37 | C36 | H36 | 120.2° | 120.0° |
| C36 | C37 | C38 | 120.4° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| C38 | C37 | H37 | 119.8° | 120.0° |
| C37 | C38 | C39 | 119.4° | 120.0° |
| C37 | C38 | H38 | 120.3° | 120.0° |
| C39 | C38 | H38 | 120.3° | 120.0° |
| C38 | C39 | H39 | 119.9° | 120.0° |
| C41 | C40 | C45 | 120.1° | 120.0° |
| C41 | C40 | C30 | 119.8° | 120.0° |
| C40 | C41 | C42 | 120.7° | 120.0° |
| C40 | C41 | H41 | 119.7° | 120.0° |
| C45 | C40 | C30 | 120.1° | 120.0° |
| C40 | C45 | C44 | 119.3° | 120.0° |
| C40 | C45 | H45 | 120.3° | 120.0° |
| C40 | C30 | O29 | 111.3° | 109.5° |
| C40 | C30 | H301 | 108.5° | 109.4° |
| C40 | C30 | H302 | 108.9° | 109.5° |
| C42 | C41 | H41 | 119.7° | 120.0° |
| C41 | C42 | C43 | 119.1° | 120.0° |
| C41 | C42 | H42 | 120.5° | 120.0° |
| C43 | C42 | H42 | 120.5° | 120.0° |
| C42 | C43 | C44 | 120.5° | 120.0° |
| C42 | C43 | H43 | 119.8° | 120.0° |
| C44 | C43 | H43 | 119.7° | 120.0° |
| C43 | C44 | C45 | 120.5° | 120.0° |
| C43 | C44 | H44 | 119.8° | 120.0° |
| C45 | C44 | H44 | 119.8° | 119.9° |
| C44 | C45 | H45 | 120.4° | 120.0° |
| O29 | C30 | H301 | 108.5° | 109.5° |
| O29 | C30 | H302 | 108.9° | 109.5° |
| C30 | O29 | C5 | 114.6° | 106.8° |
| H301 | C30 | H302 | 110.9° | 109.5° |
| O29 | C5 | C4 | 109.6° | 109.5° |
| O29 | C5 | C6 | 114.0° | 109.5° |
| O29 | C5 | H5 | 105.2° | 109.4° |
| C4 | C5 | C6 | 105.9° | 109.5° |
| C4 | C5 | H5 | 113.4° | 109.5° |
| C5 | C4 | C3 | 113.2° | 109.5° |
| C5 | C4 | O28 | 109.6° | 109.4° |
| C5 | C4 | H4 | 106.3° | 109.4° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C5 | C6 | O7 | 115.8° | 120.0° |
| C5 | C6 | N8 | 118.7° | 120.0° |
| C3 | C4 | O28 | 107.9° | 109.5° |
| C3 | C4 | H4 | 108.1° | 109.5° |
| C4 | C3 | C2 | 109.6° | 109.4° |
| C4 | C3 | O27 | 104.6° | 109.5° |
| C4 | C3 | H3 | 114.3° | 109.5° |
| O28 | C4 | H4 | 111.7° | 109.5° |
| C4 | O28 | H28 | 109.5° | 106.7° |
| C2 | C3 | O27 | 114.3° | 109.5° |
| C2 | C3 | H3 | 104.7° | 109.4° |
| C3 | C2 | C1 | 113.4° | 109.5° |
| C3 | C2 | O32 | 111.3° | 109.5° |
| C3 | C2 | H2 | 105.3° | 109.5° |
| O27 | C3 | H3 | 109.6° | 109.5° |
| C3 | O27 | H27 | 109.5° | 106.8° |
| C1 | C2 | O32 | 109.3° | 109.5° |
| C1 | C2 | H2 | 107.5° | 109.5° |
| C2 | C1 | O17 | 119.1° | 120.0° |
| C2 | C1 | N18 | 117.5° | 120.0° |
| O32 | C2 | H2 | 109.8° | 109.5° |
| C2 | O32 | C33 | 114.9° | 106.8° |
| O17 | C1 | N18 | 123.3° | 120.1° |
| C1 | N18 | C19 | 124.0° | 120.0° |
| C1 | N18 | H18 | 118.0° | 120.0° |
| C19 | N18 | H18 | 118.0° | 120.0° |
| N18 | C19 | C20 | 112.8° | 109.5° |
| N18 | C19 | C23 | 105.7° | 109.4° |
| N18 | C19 | H19 | 109.6° | 109.4° |
| C20 | C19 | C23 | 109.0° | 109.5° |
| C20 | C19 | H19 | 106.4° | 109.5° |
| C19 | C20 | C21 | 111.1° | 109.5° |
| C19 | C20 | C22 | 112.5° | 109.5° |
| C19 | C20 | H20 | 106.4° | 109.5° |
| C23 | C19 | H19 | 113.4° | 109.5° |
| C19 | C23 | O24 | 118.7° | 120.0° |
| C19 | C23 | N25 | 116.3° | 120.0° |
| C21 | C20 | C22 | 109.9° | 109.4° |
| C21 | C20 | H20 | 109.2° | 109.5° |
| C20 | C21 | H211 | 109.4° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.4° |
| C20 | C21 | H213 | 109.5° | 109.4° |
| C22 | C20 | H20 | 107.7° | 109.5° |
| C20 | C22 | C46 | 110.5° | 109.5° |
| C20 | C22 | H221 | 108.9° | 109.5° |
| C20 | C22 | H222 | 109.1° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.4° | 109.5° |
| C46 | C22 | H221 | 108.9° | 109.5° |
| C46 | C22 | H222 | 109.1° | 109.5° |
| C22 | C46 | H461 | 109.5° | 109.5° |
| C22 | C46 | H462 | 109.5° | 109.5° |
| C22 | C46 | H463 | 109.5° | 109.5° |
| H221 | C22 | H222 | 110.3° | 109.5° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H461 | C46 | H463 | 109.4° | 109.5° |
| H462 | C46 | H463 | 109.5° | 109.5° |
| O24 | C23 | N25 | 125.0° | 120.0° |
| C23 | N25 | C26 | 117.2° | 120.0° |
| C23 | N25 | H25 | 121.4° | 120.0° |
| C26 | N25 | H25 | 121.4° | 120.0° |
| N25 | C26 | H261 | 109.4° | 109.5° |
| N25 | C26 | H262 | 109.4° | 109.4° |
| N25 | C26 | H263 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| O32 | C33 | H331 | 107.8° | 109.5° |
| O32 | C33 | H332 | 108.5° | 109.5° |
| H331 | C33 | H332 | 111.9° | 109.5° |
| O7 | C6 | N8 | 125.5° | 120.0° |
| C6 | N8 | C9 | 122.1° | 120.0° |
| C6 | N8 | H8 | 118.9° | 120.0° |
| C9 | N8 | H8 | 118.9° | 120.0° |
| N8 | C9 | C10 | 111.9° | 109.5° |
| N8 | C9 | C13 | 105.9° | 109.5° |
| N8 | C9 | H9 | 110.6° | 109.5° |
| C10 | C9 | C13 | 110.6° | 109.5° |
| C10 | C9 | H9 | 106.0° | 109.5° |
| C9 | C10 | C11 | 111.5° | 109.5° |
| C9 | C10 | C12 | 111.5° | 109.4° |
| C9 | C10 | H10 | 106.4° | 109.5° |
| C13 | C9 | H9 | 112.0° | 109.4° |
| C9 | C13 | O14 | 119.3° | 120.0° |
| C9 | C13 | N15 | 115.3° | 120.1° |
| C11 | C10 | C12 | 108.7° | 109.5° |
| C11 | C10 | H10 | 109.3° | 109.5° |
| C10 | C11 | H111 | 109.4° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C12 | C10 | H10 | 109.3° | 109.5° |
| C10 | C12 | C47 | 111.1° | 109.5° |
| C10 | C12 | H121 | 108.6° | 109.4° |
| C10 | C12 | H122 | 108.9° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.4° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| C47 | C12 | H121 | 108.6° | 109.5° |
| C47 | C12 | H122 | 108.9° | 109.4° |
| C12 | C47 | H471 | 109.5° | 109.5° |
| C12 | C47 | H472 | 109.5° | 109.5° |
| C12 | C47 | H473 | 109.5° | 109.4° |
| H121 | C12 | H122 | 110.8° | 109.5° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H471 | C47 | H473 | 109.5° | 109.5° |
| H472 | C47 | H473 | 109.4° | 109.5° |
| O14 | C13 | N15 | 125.4° | 120.0° |
| C13 | N15 | C16 | 116.2° | 120.1° |
| C13 | N15 | H15 | 121.9° | 120.0° |
| C16 | N15 | H15 | 121.9° | 120.0° |
| N15 | C16 | H161 | 109.4° | 109.4° |
| N15 | C16 | H162 | 109.4° | 109.6° |
| N15 | C16 | H163 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H161 | C16 | H163 | 109.5° | 109.4° |
| H162 | C16 | H163 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C34 | C39 | C33 | 179.5° | 179.6° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.2° | 0.1° |
| C34 | C35 | C36 | H36 | 179.8° | 179.9° |
| C35 | C34 | C39 | C38 | 0.1° | 0.5° |
| C35 | C34 | C39 | H39 | 179.9° | 179.9° |
| C35 | C34 | C33 | O32 | 129.8° | 90.1° |
| C35 | C34 | C33 | H331 | 11.1° | 29.9° |
| C35 | C34 | C33 | H332 | 110.2° | 150.0° |
| C39 | C34 | C35 | C36 | 0.2° | 0.3° |
| C39 | C34 | C35 | H35 | 179.9° | 179.8° |
| C34 | C39 | C38 | C37 | 0.0° | 0.4° |
| C34 | C39 | C38 | H39 | 180.0° | 179.6° |
| C34 | C39 | C38 | H38 | 179.9° | 179.7° |
| C39 | C34 | C33 | O32 | 49.7° | 90.3° |
| C39 | C34 | C33 | H331 | 168.4° | 149.7° |
| C39 | C34 | C33 | H332 | 70.3° | 29.7° |
| C33 | C34 | C35 | C36 | 179.7° | 180.0° |
| C33 | C34 | C35 | H35 | 0.4° | 0.1° |
| C33 | C34 | C39 | C38 | 179.6° | 179.8° |
| C33 | C34 | C39 | H39 | 0.4° | 0.2° |
| C34 | C33 | O32 | C2 | 82.2° | 175.1° |
| C34 | C33 | O32 | H331 | 118.7° | 120.0° |
| C34 | C33 | O32 | H332 | 120.0° | 119.9° |
| C34 | C33 | H331 | H332 | 119.2° | 120.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C35 | C36 | C37 | H37 | 179.9° | 180.0° |
| H35 | C35 | C36 | C37 | 179.9° | 179.9° |
| H35 | C35 | C36 | H36 | 0.2° | 0.1° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.0° | 0.1° |
| C36 | C37 | C38 | H38 | 180.0° | 180.0° |
| H36 | C36 | C37 | C38 | 179.9° | 180.0° |
| H36 | C36 | C37 | H37 | 0.1° | 0.0° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | H39 | 180.0° | 180.0° |
| H37 | C37 | C38 | C39 | 180.0° | 179.8° |
| H37 | C37 | C38 | H38 | 0.0° | 0.1° |
| H38 | C38 | C39 | H39 | 0.1° | 0.1° |
| C41 | C40 | C45 | C30 | 179.4° | 179.8° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.0° | 0.0° |
| C40 | C41 | C42 | H42 | 179.9° | 180.0° |
| C41 | C40 | C45 | C44 | 0.0° | 0.4° |
| C41 | C40 | C45 | H45 | 180.0° | 179.9° |
| C41 | C40 | C30 | O29 | 54.9° | 89.9° |
| C41 | C40 | C30 | H301 | 174.1° | 30.0° |
| C41 | C40 | C30 | H302 | 65.1° | 150.0° |
| C45 | C40 | C41 | C42 | 0.0° | 0.2° |
| C45 | C40 | C41 | H41 | 179.9° | 179.7° |
| C40 | C45 | C44 | C43 | 0.1° | 0.4° |
| C40 | C45 | C44 | H45 | 180.0° | 179.6° |
| C40 | C45 | C44 | H44 | 180.0° | 179.8° |
| C45 | C40 | C30 | O29 | 124.4° | 90.3° |
| C45 | C40 | C30 | H301 | 5.2° | 149.8° |
| C45 | C40 | C30 | H302 | 115.5° | 29.8° |
| C30 | C40 | C41 | C42 | 179.3° | 180.0° |
| C30 | C40 | C41 | H41 | 0.7° | 0.0° |
| C30 | C40 | C45 | C44 | 179.4° | 179.8° |
| C30 | C40 | C45 | H45 | 0.6° | 0.2° |
| C40 | C30 | O29 | H301 | 119.2° | 119.9° |
| C40 | C30 | O29 | H302 | 120.0° | 120.0° |
| C40 | C30 | H301 | H302 | 119.5° | 120.0° |
| C40 | C30 | O29 | C5 | 79.9° | 175.3° |
| C41 | C42 | C43 | H42 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.0° | 0.0° |
| C41 | C42 | C43 | H43 | 180.0° | 179.9° |
| H41 | C41 | C42 | C43 | 179.9° | 179.9° |
| H41 | C41 | C42 | H42 | 0.1° | 0.0° |
| C42 | C43 | C44 | H43 | 180.0° | 179.9° |
| C42 | C43 | C44 | C45 | 0.1° | 0.2° |
| C42 | C43 | C44 | H44 | 180.0° | 180.0° |
| H42 | C42 | C43 | C44 | 180.0° | 180.0° |
| H42 | C42 | C43 | H43 | 0.0° | 0.1° |
| C43 | C44 | C45 | H44 | 180.0° | 179.8° |
| C43 | C44 | C45 | H45 | 180.0° | 179.9° |
| H43 | C43 | C44 | C45 | 179.9° | 179.9° |
| H43 | C43 | C44 | H44 | 0.0° | 0.1° |
| H44 | C44 | C45 | H45 | 0.0° | 0.1° |
| O29 | C30 | H301 | H302 | 119.5° | 120.1° |
| C30 | O29 | C5 | C4 | 149.3° | 145.8° |
| C30 | O29 | C5 | C6 | 92.3° | 94.2° |
| C30 | O29 | C5 | H5 | 27.1° | 25.8° |
| H301 | C30 | O29 | C5 | 39.3° | 64.8° |
| H302 | C30 | O29 | C5 | 160.1° | 55.3° |
| O29 | C5 | C4 | C6 | 123.3° | 120.0° |
| O29 | C5 | C4 | H5 | 117.2° | 119.9° |
| O29 | C5 | C6 | H5 | 117.2° | 119.9° |
| O29 | C5 | C4 | C3 | 51.9° | 54.6° |
| O29 | C5 | C4 | O28 | 172.5° | 174.7° |
| O29 | C5 | C4 | H4 | 66.6° | 65.3° |
| O29 | C5 | C6 | O7 | 54.0° | 5.1° |
| O29 | C5 | C6 | N8 | 126.2° | 175.0° |
| C4 | C5 | C6 | H5 | 122.3° | 120.0° |
| C5 | C4 | C3 | O28 | 121.6° | 120.0° |
| C5 | C4 | C3 | H4 | 117.4° | 119.9° |
| C5 | C4 | O28 | H4 | 117.6° | 119.9° |
| C5 | C4 | C3 | C2 | 160.7° | 177.8° |
| C5 | C4 | C3 | O27 | 76.4° | 57.8° |
| C5 | C4 | C3 | H3 | 43.5° | 62.3° |
| C5 | C4 | O28 | H28 | 160.7° | 60.1° |
| C4 | C5 | C6 | O7 | 66.5° | 114.9° |
| C4 | C5 | C6 | N8 | 113.3° | 65.0° |
| C6 | C5 | C4 | C3 | 175.3° | 174.7° |
| C6 | C5 | C4 | O28 | 64.2° | 65.3° |
| C6 | C5 | C4 | H4 | 56.8° | 54.7° |
| C5 | C6 | O7 | N8 | 179.8° | 179.9° |
| C5 | C6 | N8 | C9 | 180.0° | 179.3° |
| C5 | C6 | N8 | H8 | 0.0° | 0.6° |
| H5 | C5 | C4 | C3 | 65.3° | 65.3° |
| H5 | C5 | C4 | O28 | 55.3° | 54.8° |
| H5 | C5 | C4 | H4 | 176.2° | 174.7° |
| H5 | C5 | C6 | O7 | 171.2° | 125.0° |
| H5 | C5 | C6 | N8 | 9.0° | 55.1° |
| C3 | C4 | O28 | H4 | 118.7° | 120.0° |
| C4 | C3 | C2 | O27 | 117.0° | 120.0° |
| C4 | C3 | C2 | H3 | 123.0° | 120.0° |
| C4 | C3 | O27 | H3 | 123.0° | 120.1° |
| C4 | C3 | C2 | C1 | 97.9° | 177.4° |
| C4 | C3 | C2 | O32 | 25.9° | 62.5° |
| C4 | C3 | C2 | H2 | 144.8° | 57.4° |
| C4 | C3 | O27 | H27 | 95.2° | 60.0° |
| C3 | C4 | O28 | H28 | 75.5° | 60.0° |
| O28 | C4 | C3 | C2 | 77.8° | 57.8° |
| O28 | C4 | C3 | O27 | 45.2° | 62.2° |
| O28 | C4 | C3 | H3 | 165.1° | 177.7° |
| H4 | C4 | C3 | C2 | 43.2° | 62.3° |
| H4 | C4 | C3 | O27 | 166.2° | 177.7° |
| H4 | C4 | C3 | H3 | 73.9° | 57.7° |
| H4 | C4 | O28 | H28 | 43.1° | 180.0° |
| C2 | C3 | O27 | H3 | 117.1° | 120.0° |
| C3 | C2 | C1 | O32 | 124.9° | 120.0° |
| C3 | C2 | C1 | H2 | 116.0° | 120.0° |
| C3 | C2 | O32 | H2 | 116.2° | 120.0° |
| C3 | C2 | C1 | O17 | 67.6° | 115.0° |
| C3 | C2 | C1 | N18 | 113.5° | 65.0° |
| C3 | C2 | O32 | C33 | 140.7° | 145.8° |
| C2 | C3 | O27 | H27 | 24.6° | 60.0° |
| O27 | C3 | C2 | C1 | 145.1° | 57.4° |
| O27 | C3 | C2 | O32 | 91.1° | 177.5° |
| O27 | C3 | C2 | H2 | 27.8° | 62.6° |
| H3 | C3 | C2 | C1 | 25.2° | 62.5° |
| H3 | C3 | C2 | O32 | 148.9° | 57.5° |
| H3 | C3 | C2 | H2 | 92.1° | 177.4° |
| H3 | C3 | O27 | H27 | 141.8° | 180.0° |
| C1 | C2 | O32 | H2 | 117.7° | 120.0° |
| C2 | C1 | O17 | N18 | 178.8° | 180.0° |
| C2 | C1 | N18 | C19 | 178.7° | 174.8° |
| C2 | C1 | N18 | H18 | 1.3° | 5.1° |
| C1 | C2 | O32 | C33 | 93.2° | 94.2° |
| O32 | C2 | C1 | O17 | 57.2° | 5.0° |
| O32 | C2 | C1 | N18 | 121.6° | 175.0° |
| C2 | O32 | C33 | H331 | 36.5° | 55.1° |
| C2 | O32 | C33 | H332 | 157.8° | 65.0° |
| H2 | C2 | C1 | O17 | 176.4° | 125.0° |
| H2 | C2 | C1 | N18 | 2.5° | 55.0° |
| H2 | C2 | O32 | C33 | 24.4° | 25.8° |
| O17 | C1 | N18 | C19 | 0.1° | 5.2° |
| O17 | C1 | N18 | H18 | 179.9° | 174.9° |
| C1 | N18 | C19 | H18 | 180.0° | 179.9° |
| C1 | N18 | C19 | C20 | 99.7° | 91.9° |
| C1 | N18 | C19 | C23 | 141.2° | 148.1° |
| C1 | N18 | C19 | H19 | 18.7° | 28.2° |
| N18 | C19 | C20 | C23 | 117.1° | 120.0° |
| N18 | C19 | C20 | H19 | 120.2° | 120.0° |
| N18 | C19 | C23 | H19 | 120.1° | 119.9° |
| N18 | C19 | C20 | C21 | 176.9° | 66.6° |
| N18 | C19 | C20 | C22 | 59.5° | 53.4° |
| N18 | C19 | C20 | H20 | 58.2° | 173.4° |
| N18 | C19 | C23 | O24 | 51.5° | 1.2° |
| N18 | C19 | C23 | N25 | 128.8° | 178.8° |
| H18 | N18 | C19 | C20 | 80.3° | 88.0° |
| H18 | N18 | C19 | C23 | 38.7° | 32.0° |
| H18 | N18 | C19 | H19 | 161.3° | 151.9° |
| C20 | C19 | C23 | H19 | 118.3° | 120.0° |
| C19 | C20 | C21 | C22 | 125.1° | 120.0° |
| C19 | C20 | C21 | H20 | 117.0° | 120.0° |
| C19 | C20 | C22 | H20 | 116.9° | 120.0° |
| C19 | C20 | C21 | H211 | 35.6° | 174.5° |
| C19 | C20 | C21 | H212 | 84.5° | 54.5° |
| C19 | C20 | C21 | H213 | 155.6° | 65.5° |
| C19 | C20 | C22 | C46 | 160.9° | 68.2° |
| C19 | C20 | C22 | H221 | 41.3° | 51.8° |
| C19 | C20 | C22 | H222 | 79.1° | 171.8° |
| C20 | C19 | C23 | O24 | 70.1° | 121.2° |
| C20 | C19 | C23 | N25 | 109.6° | 58.8° |
| C23 | C19 | C20 | C21 | 59.8° | 173.4° |
| C23 | C19 | C20 | C22 | 176.6° | 66.6° |
| C23 | C19 | C20 | H20 | 58.9° | 53.4° |
| C19 | C23 | O24 | N25 | 179.7° | 180.0° |
| C19 | C23 | N25 | C26 | 179.7° | 174.9° |
| C19 | C23 | N25 | H25 | 0.3° | 5.1° |
| H19 | C19 | C20 | C21 | 62.9° | 53.4° |
| H19 | C19 | C20 | C22 | 60.7° | 173.4° |
| H19 | C19 | C20 | H20 | 178.4° | 66.6° |
| H19 | C19 | C23 | O24 | 171.6° | 118.7° |
| H19 | C19 | C23 | N25 | 8.7° | 61.3° |
| C21 | C20 | C22 | H20 | 118.8° | 120.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 119.9° |
| C21 | C20 | C22 | C46 | 74.8° | 171.8° |
| C21 | C20 | C22 | H221 | 165.6° | 68.2° |
| C21 | C20 | C22 | H222 | 45.2° | 51.8° |
| C22 | C20 | C21 | H211 | 89.5° | 65.5° |
| C22 | C20 | C21 | H212 | 150.4° | 174.5° |
| C22 | C20 | C21 | H213 | 30.5° | 54.5° |
| C20 | C22 | C46 | H221 | 119.6° | 120.0° |
| C20 | C22 | C46 | H222 | 120.0° | 120.0° |
| C20 | C22 | H221 | H222 | 119.7° | 120.0° |
| C20 | C22 | C46 | H461 | 21.7° | 167.7° |
| C20 | C22 | C46 | H462 | 98.3° | 72.3° |
| C20 | C22 | C46 | H463 | 141.7° | 47.7° |
| H20 | C20 | C21 | H211 | 152.5° | 54.4° |
| H20 | C20 | C21 | H212 | 32.5° | 65.6° |
| H20 | C20 | C21 | H213 | 87.4° | 174.5° |
| H20 | C20 | C22 | C46 | 44.0° | 51.9° |
| H20 | C20 | C22 | H221 | 75.6° | 171.9° |
| H20 | C20 | C22 | H222 | 164.0° | 68.1° |
| H211 | C21 | H212 | H213 | 120.0° | 120.1° |
| C46 | C22 | H221 | H222 | 119.7° | 120.0° |
| C22 | C46 | H461 | H462 | 120.0° | 120.0° |
| C22 | C46 | H461 | H463 | 120.0° | 120.0° |
| C22 | C46 | H462 | H463 | 120.0° | 120.0° |
| H221 | C22 | C46 | H461 | 141.3° | 72.3° |
| H221 | C22 | C46 | H462 | 21.2° | 47.7° |
| H221 | C22 | C46 | H463 | 98.8° | 167.7° |
| H222 | C22 | C46 | H461 | 98.3° | 47.7° |
| H222 | C22 | C46 | H462 | 141.6° | 167.7° |
| H222 | C22 | C46 | H463 | 21.6° | 72.3° |
| H461 | C46 | H462 | H463 | 119.9° | 120.0° |
| O24 | C23 | N25 | C26 | 0.0° | 5.1° |
| O24 | C23 | N25 | H25 | 180.0° | 174.9° |
| C23 | N25 | C26 | H25 | 180.0° | 180.0° |
| C23 | N25 | C26 | H261 | 115.7° | 60.0° |
| C23 | N25 | C26 | H262 | 4.3° | 60.0° |
| C23 | N25 | C26 | H263 | 124.3° | 180.0° |
| N25 | C26 | H261 | H262 | 120.0° | 120.0° |
| N25 | C26 | H261 | H263 | 120.0° | 119.9° |
| N25 | C26 | H262 | H263 | 120.0° | 120.0° |
| H25 | N25 | C26 | H261 | 64.3° | 120.0° |
| H25 | N25 | C26 | H262 | 175.6° | 120.0° |
| H25 | N25 | C26 | H263 | 55.7° | 0.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.1° |
| O32 | C33 | H331 | H332 | 119.2° | 120.0° |
| O7 | C6 | N8 | C9 | 0.2° | 0.5° |
| O7 | C6 | N8 | H8 | 179.8° | 179.5° |
| C6 | N8 | C9 | H8 | 180.0° | 180.0° |
| C6 | N8 | C9 | C10 | 103.7° | 94.6° |
| C6 | N8 | C9 | C13 | 135.8° | 145.4° |
| C6 | N8 | C9 | H9 | 14.3° | 25.5° |
| N8 | C9 | C10 | C13 | 117.8° | 120.1° |
| N8 | C9 | C10 | H9 | 120.6° | 120.0° |
| N8 | C9 | C13 | H9 | 120.6° | 120.0° |
| N8 | C9 | C10 | C11 | 173.1° | 66.7° |
| N8 | C9 | C10 | C12 | 65.2° | 53.3° |
| N8 | C9 | C10 | H10 | 53.9° | 173.3° |
| N8 | C9 | C13 | O14 | 55.0° | 1.1° |
| N8 | C9 | C13 | N15 | 125.0° | 178.9° |
| H8 | N8 | C9 | C10 | 76.4° | 85.4° |
| H8 | N8 | C9 | C13 | 44.2° | 34.6° |
| H8 | N8 | C9 | H9 | 165.7° | 154.6° |
| C10 | C9 | C13 | H9 | 117.9° | 119.9° |
| C9 | C10 | C11 | C12 | 123.3° | 120.0° |
| C9 | C10 | C11 | H10 | 117.4° | 120.0° |
| C9 | C10 | C12 | H10 | 117.4° | 120.0° |
| C9 | C10 | C11 | H111 | 69.8° | 58.6° |
| C9 | C10 | C11 | H112 | 50.3° | 178.6° |
| C9 | C10 | C11 | H113 | 170.3° | 61.4° |
| C9 | C10 | C12 | C47 | 161.1° | 67.4° |
| C9 | C10 | C12 | H121 | 41.8° | 172.6° |
| C9 | C10 | C12 | H122 | 78.9° | 52.6° |
| C10 | C9 | C13 | O14 | 66.4° | 119.0° |
| C10 | C9 | C13 | N15 | 113.5° | 61.0° |
| C13 | C9 | C10 | C11 | 55.2° | 173.3° |
| C13 | C9 | C10 | C12 | 176.9° | 66.7° |
| C13 | C9 | C10 | H10 | 63.9° | 53.2° |
| C9 | C13 | O14 | N15 | 179.9° | 180.0° |
| C9 | C13 | N15 | C16 | 179.8° | 175.3° |
| C9 | C13 | N15 | H15 | 0.3° | 4.6° |
| H9 | C9 | C10 | C11 | 66.3° | 53.4° |
| H9 | C9 | C10 | C12 | 55.4° | 173.4° |
| H9 | C9 | C10 | H10 | 174.6° | 66.7° |
| H9 | C9 | C13 | O14 | 175.7° | 121.1° |
| H9 | C9 | C13 | N15 | 4.4° | 58.9° |
| C11 | C10 | C12 | H10 | 119.3° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| C11 | C10 | C12 | C47 | 75.6° | 172.6° |
| C11 | C10 | C12 | H121 | 165.1° | 52.6° |
| C11 | C10 | C12 | H122 | 44.4° | 67.4° |
| C12 | C10 | C11 | H111 | 53.5° | 61.4° |
| C12 | C10 | C11 | H112 | 173.6° | 58.7° |
| C12 | C10 | C11 | H113 | 66.4° | 178.7° |
| C10 | C12 | C47 | H121 | 119.3° | 120.0° |
| C10 | C12 | C47 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H122 | 119.6° | 120.0° |
| C10 | C12 | C47 | H471 | 144.6° | 168.0° |
| C10 | C12 | C47 | H472 | 24.6° | 71.9° |
| C10 | C12 | C47 | H473 | 95.4° | 48.1° |
| H10 | C10 | C11 | H111 | 172.8° | 178.6° |
| H10 | C10 | C11 | H112 | 67.1° | 61.3° |
| H10 | C10 | C11 | H113 | 52.9° | 58.7° |
| H10 | C10 | C12 | C47 | 43.7° | 52.6° |
| H10 | C10 | C12 | H121 | 75.6° | 67.4° |
| H10 | C10 | C12 | H122 | 163.7° | 172.6° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| C47 | C12 | H121 | H122 | 119.5° | 120.0° |
| C12 | C47 | H471 | H472 | 120.0° | 120.0° |
| C12 | C47 | H471 | H473 | 120.0° | 120.0° |
| C12 | C47 | H472 | H473 | 120.0° | 120.0° |
| H121 | C12 | C47 | H471 | 96.0° | 48.1° |
| H121 | C12 | C47 | H472 | 143.9° | 168.1° |
| H121 | C12 | C47 | H473 | 23.9° | 71.9° |
| H122 | C12 | C47 | H471 | 24.6° | 71.9° |
| H122 | C12 | C47 | H472 | 95.4° | 48.1° |
| H122 | C12 | C47 | H473 | 144.6° | 168.1° |
| H471 | C47 | H472 | H473 | 120.0° | 120.0° |
| O14 | C13 | N15 | C16 | 0.2° | 4.7° |
| O14 | C13 | N15 | H15 | 179.8° | 175.4° |
| C13 | N15 | C16 | H15 | 180.0° | 180.0° |
| C13 | N15 | C16 | H161 | 165.7° | 60.0° |
| C13 | N15 | C16 | H162 | 74.3° | 180.0° |
| C13 | N15 | C16 | H163 | 45.7° | 59.9° |
| N15 | C16 | H161 | H162 | 120.0° | 120.0° |
| N15 | C16 | H161 | H163 | 120.0° | 120.0° |
| N15 | C16 | H162 | H163 | 120.0° | 120.1° |
| H15 | N15 | C16 | H161 | 14.3° | 120.0° |
| H15 | N15 | C16 | H162 | 105.7° | 0.1° |
| H15 | N15 | C16 | H163 | 134.3° | 120.1° |
| H161 | C16 | H162 | H163 | 120.0° | 119.9° |
