BJC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.46Å | 1.49Å | |
| N1 | C14 | sing | 1.33Å | 1.40Å | |
| N1 | C16 | sing | 1.46Å | 1.52Å | |
| C2 | C5 | sing | 1.53Å | 1.56Å | |
| C5 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | C14 | sing | 1.50Å | 1.53Å | |
| C14 | O15 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | sing | 1.53Å | 1.59Å | |
| C16 | C85 | sing | 1.53Å | 1.58Å | |
| C16 | C89 | sing | 1.53Å | 1.57Å | |
| C17 | C19 | sing | 1.53Å | 1.57Å | |
| C17 | C30 | sing | 1.53Å | 1.57Å | |
| C19 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C24 | sing | 1.53Å | 1.57Å | |
| C22 | C33 | sing | 1.51Å | 1.51Å | |
| C24 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | C30 | sing | 1.53Å | 1.56Å | |
| C33 | O34 | doub | 1.21Å | 1.23Å | |
| C33 | N35 | sing | 1.35Å | 1.37Å | |
| N35 | C37 | sing | 1.47Å | 1.47Å | |
| C37 | C39 | sing | 1.53Å | 1.56Å | |
| C37 | C71 | sing | 1.53Å | 1.57Å | |
| C39 | O41 | sing | 1.43Å | 1.44Å | |
| C39 | C43 | sing | 1.53Å | 1.55Å | |
| C43 | N46 | sing | 1.47Å | 1.48Å | |
| N46 | C48 | sing | 1.47Å | 1.49Å | |
| C48 | C51 | sing | 1.51Å | 1.55Å | |
| C51 | C52 | doub | 1.38Å | 1.41Å | Aromatic |
| C51 | C59 | sing | 1.38Å | 1.42Å | Aromatic |
| C52 | C54 | sing | 1.38Å | 1.42Å | Aromatic |
| C54 | C55 | doub | 1.38Å | 1.42Å | Aromatic |
| C54 | C61 | sing | 1.51Å | 1.55Å | |
| C55 | C57 | sing | 1.38Å | 1.42Å | Aromatic |
| C57 | C59 | doub | 1.38Å | 1.41Å | Aromatic |
| C61 | C63 | sing | 1.53Å | 1.54Å | |
| C61 | C67 | sing | 1.53Å | 1.55Å | |
| C71 | C74 | sing | 1.51Å | 1.54Å | |
| C74 | C75 | doub | 1.38Å | 1.43Å | Aromatic |
| C74 | C83 | sing | 1.38Å | 1.42Å | Aromatic |
| C75 | C77 | sing | 1.38Å | 1.42Å | Aromatic |
| C77 | C79 | doub | 1.38Å | 1.41Å | Aromatic |
| C79 | C81 | sing | 1.38Å | 1.42Å | Aromatic |
| C81 | C83 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| N35 | HN35 | sing | 0.97Å | 1.00Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| N46 | HN46 | sing | 1.01Å | 1.00Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.08Å | 1.08Å | |
| C55 | H55 | sing | 1.08Å | 1.08Å | |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C59 | H59 | sing | 1.08Å | 1.08Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C63 | H63A | sing | 1.09Å | 1.10Å | |
| C63 | H63B | sing | 1.09Å | 1.10Å | |
| C67 | H67 | sing | 1.09Å | 1.10Å | |
| C67 | H67A | sing | 1.09Å | 1.10Å | |
| C67 | H67B | sing | 1.09Å | 1.10Å | |
| C71 | H71 | sing | 1.09Å | 1.10Å | |
| C71 | H71A | sing | 1.09Å | 1.10Å | |
| C75 | H75 | sing | 1.08Å | 1.08Å | |
| C77 | H77 | sing | 1.08Å | 1.08Å | |
| C79 | H79 | sing | 1.08Å | 1.08Å | |
| C81 | H81 | sing | 1.08Å | 1.08Å | |
| C83 | H83 | sing | 1.08Å | 1.08Å | |
| C85 | H85 | sing | 1.09Å | 1.10Å | |
| C85 | H85A | sing | 1.09Å | 1.10Å | |
| C85 | H85B | sing | 1.09Å | 1.10Å | |
| C89 | H89 | sing | 1.09Å | 1.10Å | |
| C89 | H89A | sing | 1.09Å | 1.10Å | |
| C89 | H89B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C14 | 117.0° | 124.1° |
| C2 | N1 | C16 | 122.6° | 118.0° |
| N1 | C2 | C5 | 118.5° | 110.5° |
| N1 | C2 | H2 | 106.6° | 109.3° |
| N1 | C2 | H2A | 106.6° | 109.3° |
| C14 | N1 | C16 | 120.4° | 118.0° |
| N1 | C14 | C11 | 124.0° | 123.5° |
| N1 | C14 | O15 | 123.5° | 118.2° |
| N1 | C16 | C17 | 107.3° | 109.5° |
| N1 | C16 | C85 | 112.1° | 109.5° |
| N1 | C16 | C89 | 113.3° | 109.5° |
| C2 | C5 | C8 | 108.9° | 108.6° |
| C5 | C2 | H2 | 106.6° | 109.3° |
| C5 | C2 | H2A | 106.6° | 109.3° |
| C2 | C5 | H5 | 109.7° | 109.6° |
| C2 | C5 | H5A | 109.7° | 109.6° |
| C5 | C8 | C11 | 108.2° | 108.4° |
| C8 | C5 | H5 | 109.6° | 109.6° |
| C8 | C5 | H5A | 109.6° | 109.6° |
| C5 | C8 | H8 | 109.9° | 109.6° |
| C5 | C8 | H8A | 109.9° | 109.7° |
| C8 | C11 | C14 | 114.3° | 109.9° |
| C11 | C8 | H8 | 109.9° | 109.7° |
| C11 | C8 | H8A | 109.9° | 109.7° |
| C8 | C11 | H11 | 107.9° | 109.4° |
| C8 | C11 | H11A | 107.9° | 109.4° |
| C11 | C14 | O15 | 112.5° | 118.2° |
| C14 | C11 | H11 | 107.9° | 109.4° |
| C14 | C11 | H11A | 107.9° | 109.5° |
| C17 | C16 | C85 | 109.7° | 109.5° |
| C17 | C16 | C89 | 112.8° | 109.5° |
| C16 | C17 | C19 | 112.8° | 109.5° |
| C16 | C17 | C30 | 117.1° | 109.5° |
| C16 | C17 | H17 | 101.9° | 109.5° |
| C85 | C16 | C89 | 101.7° | 109.4° |
| C16 | C85 | H85 | 109.5° | 109.5° |
| C16 | C85 | H85A | 109.5° | 109.5° |
| C16 | C85 | H85B | 109.4° | 109.4° |
| C16 | C89 | H89 | 109.5° | 109.5° |
| C16 | C89 | H89A | 109.5° | 109.5° |
| C16 | C89 | H89B | 109.5° | 109.5° |
| C19 | C17 | C30 | 111.4° | 109.4° |
| C17 | C19 | C22 | 114.9° | 109.4° |
| C19 | C17 | H17 | 108.9° | 109.5° |
| C17 | C19 | H19 | 107.7° | 109.5° |
| C17 | C19 | H19A | 107.7° | 109.5° |
| C17 | C30 | C27 | 110.7° | 109.5° |
| C30 | C17 | H17 | 103.6° | 109.5° |
| C17 | C30 | H30 | 109.0° | 109.4° |
| C17 | C30 | H30A | 109.1° | 109.5° |
| C19 | C22 | C24 | 110.4° | 109.5° |
| C19 | C22 | C33 | 107.6° | 109.4° |
| C22 | C19 | H19 | 107.7° | 109.5° |
| C22 | C19 | H19A | 107.7° | 109.5° |
| C19 | C22 | H22 | 111.9° | 109.5° |
| C24 | C22 | C33 | 114.3° | 109.5° |
| C22 | C24 | C27 | 111.1° | 109.5° |
| C24 | C22 | H22 | 104.9° | 109.5° |
| C22 | C24 | H24 | 108.9° | 109.5° |
| C22 | C24 | H24A | 109.0° | 109.5° |
| C22 | C33 | O34 | 121.2° | 120.0° |
| C22 | C33 | N35 | 116.2° | 120.0° |
| C33 | C22 | H22 | 107.8° | 109.4° |
| C24 | C27 | C30 | 110.4° | 109.4° |
| C27 | C24 | H24 | 108.9° | 109.5° |
| C27 | C24 | H24A | 108.9° | 109.4° |
| C24 | C27 | H27 | 109.2° | 109.5° |
| C24 | C27 | H27A | 109.2° | 109.5° |
| C30 | C27 | H27 | 109.2° | 109.5° |
| C30 | C27 | H27A | 109.2° | 109.4° |
| C27 | C30 | H30 | 109.1° | 109.4° |
| C27 | C30 | H30A | 109.1° | 109.5° |
| O34 | C33 | N35 | 122.6° | 120.0° |
| C33 | N35 | C37 | 124.5° | 120.0° |
| C33 | N35 | HN35 | 117.8° | 120.0° |
| N35 | C37 | C39 | 111.1° | 109.5° |
| N35 | C37 | C71 | 108.2° | 109.5° |
| C37 | N35 | HN35 | 117.8° | 120.0° |
| N35 | C37 | H37 | 110.1° | 109.4° |
| C39 | C37 | C71 | 111.8° | 109.5° |
| C37 | C39 | O41 | 110.8° | 109.5° |
| C37 | C39 | C43 | 110.9° | 109.5° |
| C39 | C37 | H37 | 106.4° | 109.5° |
| C37 | C39 | H39 | 106.7° | 109.5° |
| C37 | C71 | C74 | 117.7° | 109.5° |
| C71 | C37 | H37 | 109.3° | 109.5° |
| C37 | C71 | H71 | 106.8° | 109.5° |
| C37 | C71 | H71A | 106.8° | 109.5° |
| O41 | C39 | C43 | 106.7° | 109.5° |
| O41 | C39 | H39 | 110.9° | 109.4° |
| C39 | O41 | HO41 | 109.5° | 114.0° |
| C39 | C43 | N46 | 113.0° | 109.5° |
| C43 | C39 | H39 | 110.8° | 109.5° |
| C39 | C43 | H43 | 108.3° | 109.4° |
| C39 | C43 | H43A | 108.3° | 109.5° |
| C43 | N46 | C48 | 115.1° | 111.0° |
| N46 | C43 | H43 | 108.3° | 109.5° |
| N46 | C43 | H43A | 108.3° | 109.5° |
| C43 | N46 | HN46 | 107.6° | 111.0° |
| N46 | C48 | C51 | 111.3° | 109.5° |
| C48 | N46 | HN46 | 107.6° | 111.0° |
| N46 | C48 | H48 | 108.9° | 109.5° |
| N46 | C48 | H48A | 108.9° | 109.5° |
| C48 | C51 | C52 | 120.9° | 120.0° |
| C48 | C51 | C59 | 119.8° | 120.0° |
| C51 | C48 | H48 | 108.9° | 109.5° |
| C51 | C48 | H48A | 108.9° | 109.4° |
| C52 | C51 | C59 | 119.3° | 120.0° |
| C51 | C52 | C54 | 121.6° | 120.0° |
| C51 | C52 | H52 | 119.2° | 120.0° |
| C51 | C59 | C57 | 119.8° | 120.0° |
| C51 | C59 | H59 | 120.1° | 120.0° |
| C52 | C54 | C55 | 118.4° | 120.0° |
| C52 | C54 | C61 | 120.6° | 120.1° |
| C54 | C52 | H52 | 119.2° | 120.0° |
| C55 | C54 | C61 | 120.9° | 119.9° |
| C54 | C55 | C57 | 120.5° | 120.0° |
| C54 | C55 | H55 | 119.7° | 120.0° |
| C54 | C61 | C63 | 110.8° | 109.5° |
| C54 | C61 | C67 | 115.9° | 109.5° |
| C54 | C61 | H61 | 104.2° | 109.4° |
| C55 | C57 | C59 | 120.3° | 120.0° |
| C57 | C55 | H55 | 119.7° | 120.0° |
| C55 | C57 | H57 | 119.8° | 120.0° |
| C59 | C57 | H57 | 119.8° | 119.9° |
| C57 | C59 | H59 | 120.1° | 120.0° |
| C63 | C61 | C67 | 110.4° | 109.5° |
| C63 | C61 | H61 | 110.5° | 109.4° |
| C61 | C63 | H63 | 109.5° | 109.5° |
| C61 | C63 | H63A | 109.5° | 109.5° |
| C61 | C63 | H63B | 109.5° | 109.5° |
| C67 | C61 | H61 | 104.7° | 109.5° |
| C61 | C67 | H67 | 109.5° | 109.5° |
| C61 | C67 | H67A | 109.5° | 109.4° |
| C61 | C67 | H67B | 109.5° | 109.5° |
| C71 | C74 | C75 | 122.8° | 120.0° |
| C71 | C74 | C83 | 118.1° | 120.0° |
| C74 | C71 | H71 | 106.8° | 109.5° |
| C74 | C71 | H71A | 106.8° | 109.5° |
| C75 | C74 | C83 | 119.0° | 120.0° |
| C74 | C75 | C77 | 120.4° | 120.0° |
| C74 | C75 | H75 | 119.8° | 120.0° |
| C74 | C83 | C81 | 120.6° | 120.0° |
| C74 | C83 | H83 | 119.7° | 120.0° |
| C75 | C77 | C79 | 119.9° | 120.0° |
| C77 | C75 | H75 | 119.8° | 120.0° |
| C75 | C77 | H77 | 120.0° | 120.0° |
| C77 | C79 | C81 | 120.2° | 120.0° |
| C79 | C77 | H77 | 120.1° | 120.0° |
| C77 | C79 | H79 | 119.9° | 120.0° |
| C79 | C81 | C83 | 119.9° | 120.0° |
| C81 | C79 | H79 | 119.9° | 120.0° |
| C79 | C81 | H81 | 120.1° | 120.0° |
| C83 | C81 | H81 | 120.1° | 120.0° |
| C81 | C83 | H83 | 119.6° | 120.0° |
| H2 | C2 | H2A | 112.2° | 109.1° |
| H5 | C5 | H5A | 109.3° | 109.7° |
| H8 | C8 | H8A | 109.0° | 109.7° |
| H11 | C11 | H11A | 111.0° | 109.3° |
| H19 | C19 | H19A | 111.2° | 109.5° |
| H24 | C24 | H24A | 110.0° | 109.5° |
| H27 | C27 | H27A | 109.8° | 109.5° |
| H30 | C30 | H30A | 109.9° | 109.5° |
| H43 | C43 | H43A | 110.6° | 109.5° |
| H48 | C48 | H48A | 110.0° | 109.4° |
| H63 | C63 | H63A | 109.4° | 109.4° |
| H63 | C63 | H63B | 109.4° | 109.5° |
| H63A | C63 | H63B | 109.4° | 109.5° |
| H67 | C67 | H67A | 109.4° | 109.5° |
| H67 | C67 | H67B | 109.5° | 109.5° |
| H67A | C67 | H67B | 109.5° | 109.5° |
| H71 | C71 | H71A | 112.0° | 109.4° |
| H85 | C85 | H85A | 109.4° | 109.5° |
| H85 | C85 | H85B | 109.5° | 109.5° |
| H85A | C85 | H85B | 109.5° | 109.4° |
| H89 | C89 | H89A | 109.5° | 109.5° |
| H89 | C89 | H89B | 109.5° | 109.5° |
| H89A | C89 | H89B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C14 | C16 | 179.6° | 179.8° |
| N1 | C2 | C5 | H2 | 120.0° | 120.4° |
| N1 | C2 | C5 | H2A | 120.0° | 120.3° |
| N1 | C2 | C5 | C8 | 46.9° | 50.8° |
| C2 | N1 | C14 | C11 | 0.4° | 2.3° |
| C2 | N1 | C14 | O15 | 179.1° | 177.7° |
| C2 | N1 | C16 | C17 | 115.9° | 120.6° |
| C2 | N1 | C16 | C85 | 4.6° | 0.5° |
| C2 | N1 | C16 | C89 | 118.9° | 119.4° |
| N1 | C2 | H2 | H2A | 116.3° | 119.5° |
| N1 | C2 | C5 | H5 | 166.9° | 170.5° |
| N1 | C2 | C5 | H5A | 73.1° | 68.9° |
| C14 | N1 | C2 | C5 | 15.9° | 19.2° |
| N1 | C14 | C11 | C8 | 17.3° | 17.7° |
| N1 | C14 | C11 | O15 | 179.6° | 179.9° |
| C14 | N1 | C16 | C17 | 63.6° | 59.3° |
| C14 | N1 | C16 | C85 | 175.8° | 179.3° |
| C14 | N1 | C16 | C89 | 61.5° | 60.8° |
| C14 | N1 | C2 | H2 | 104.1° | 101.2° |
| C14 | N1 | C2 | H2A | 135.9° | 139.4° |
| N1 | C14 | C11 | H11 | 137.3° | 137.8° |
| N1 | C14 | C11 | H11A | 102.7° | 102.5° |
| C16 | N1 | C2 | C5 | 164.6° | 160.6° |
| C16 | N1 | C14 | C11 | 180.0° | 177.5° |
| C16 | N1 | C14 | O15 | 0.5° | 2.5° |
| N1 | C16 | C17 | C85 | 122.0° | 120.0° |
| N1 | C16 | C17 | C89 | 125.4° | 120.0° |
| N1 | C16 | C85 | C89 | 121.3° | 120.0° |
| N1 | C16 | C17 | C19 | 56.4° | 179.0° |
| N1 | C16 | C17 | C30 | 172.4° | 61.0° |
| C16 | N1 | C2 | H2 | 75.4° | 79.0° |
| C16 | N1 | C2 | H2A | 44.5° | 40.4° |
| N1 | C16 | C17 | H17 | 60.2° | 59.0° |
| N1 | C16 | C85 | H85 | 180.0° | 60.0° |
| N1 | C16 | C85 | H85A | 60.0° | 180.0° |
| N1 | C16 | C85 | H85B | 60.0° | 60.0° |
| N1 | C16 | C89 | H89 | 180.0° | 60.0° |
| N1 | C16 | C89 | H89A | 60.0° | 179.9° |
| N1 | C16 | C89 | H89B | 60.0° | 60.0° |
| C2 | C5 | C8 | H5 | 120.0° | 119.7° |
| C2 | C5 | C8 | H5A | 120.0° | 119.8° |
| C2 | C5 | C8 | C11 | 60.4° | 67.6° |
| C5 | C2 | H2 | H2A | 116.3° | 119.5° |
| C2 | C5 | H5 | H5A | 120.3° | 120.5° |
| C2 | C5 | C8 | H8 | 59.7° | 52.2° |
| C2 | C5 | C8 | H8A | 179.6° | 172.7° |
| C5 | C8 | C11 | H8 | 120.0° | 119.7° |
| C5 | C8 | C11 | H8A | 120.0° | 119.7° |
| C5 | C8 | C11 | C14 | 47.2° | 48.9° |
| C8 | C5 | C2 | H2 | 73.1° | 69.5° |
| C8 | C5 | C2 | H2A | 166.9° | 171.1° |
| C8 | C5 | H5 | H5A | 120.2° | 120.4° |
| C5 | C8 | H8 | H8A | 120.5° | 120.5° |
| C5 | C8 | C11 | H11 | 167.2° | 169.0° |
| C5 | C8 | C11 | H11A | 72.8° | 71.3° |
| C8 | C11 | C14 | H11 | 120.0° | 120.1° |
| C8 | C11 | C14 | H11A | 120.0° | 120.2° |
| C8 | C11 | C14 | O15 | 162.3° | 162.4° |
| C11 | C8 | C5 | H5 | 179.6° | 172.7° |
| C11 | C8 | C5 | H5A | 59.6° | 52.2° |
| C11 | C8 | H8 | H8A | 120.5° | 120.6° |
| C8 | C11 | H11 | H11A | 118.0° | 119.7° |
| C14 | C11 | C8 | H8 | 72.8° | 70.7° |
| C14 | C11 | C8 | H8A | 167.2° | 168.7° |
| C14 | C11 | H11 | H11A | 118.0° | 119.8° |
| O15 | C14 | C11 | H11 | 42.3° | 42.3° |
| O15 | C14 | C11 | H11A | 77.8° | 77.4° |
| C17 | C16 | C85 | C89 | 119.6° | 120.0° |
| C16 | C17 | C19 | C30 | 134.0° | 120.0° |
| C16 | C17 | C19 | H17 | 112.3° | 120.0° |
| C16 | C17 | C30 | H17 | 111.2° | 120.0° |
| C16 | C17 | C19 | C22 | 176.5° | 180.0° |
| C16 | C17 | C30 | C27 | 175.6° | 180.0° |
| C16 | C17 | C19 | H19 | 63.6° | 60.0° |
| C16 | C17 | C19 | H19A | 56.5° | 60.0° |
| C16 | C17 | C30 | H30 | 55.6° | 60.0° |
| C16 | C17 | C30 | H30A | 64.4° | 60.0° |
| C17 | C16 | C85 | H85 | 60.9° | 180.0° |
| C17 | C16 | C85 | H85A | 179.1° | 60.0° |
| C17 | C16 | C85 | H85B | 59.1° | 60.0° |
| C17 | C16 | C89 | H89 | 57.9° | 60.0° |
| C17 | C16 | C89 | H89A | 62.1° | 60.0° |
| C17 | C16 | C89 | H89B | 177.9° | 180.0° |
| C85 | C16 | C17 | C19 | 65.7° | 61.0° |
| C85 | C16 | C17 | C30 | 65.6° | 59.0° |
| C85 | C16 | C17 | H17 | 177.8° | 179.0° |
| C16 | C85 | H85 | H85A | 120.0° | 120.0° |
| C16 | C85 | H85 | H85B | 120.0° | 120.0° |
| C16 | C85 | H85A | H85B | 120.0° | 119.9° |
| C85 | C16 | C89 | H89 | 59.5° | 180.0° |
| C85 | C16 | C89 | H89A | 179.5° | 60.0° |
| C85 | C16 | C89 | H89B | 60.5° | 60.0° |
| C89 | C16 | C17 | C19 | 178.2° | 58.9° |
| C89 | C16 | C17 | C30 | 47.0° | 178.9° |
| C89 | C16 | C17 | H17 | 65.2° | 61.0° |
| C89 | C16 | C85 | H85 | 58.7° | 60.0° |
| C89 | C16 | C85 | H85A | 61.3° | 60.0° |
| C89 | C16 | C85 | H85B | 178.7° | 180.0° |
| C16 | C89 | H89 | H89A | 120.0° | 120.0° |
| C16 | C89 | H89 | H89B | 120.0° | 120.0° |
| C16 | C89 | H89A | H89B | 120.0° | 120.0° |
| C19 | C17 | C30 | H17 | 116.9° | 120.0° |
| C17 | C19 | C22 | H19 | 120.0° | 120.0° |
| C17 | C19 | C22 | H19A | 120.0° | 120.0° |
| C17 | C19 | C22 | C24 | 50.3° | 60.0° |
| C17 | C19 | C22 | C33 | 175.6° | 180.0° |
| C19 | C17 | C30 | C27 | 52.5° | 60.0° |
| C17 | C19 | H19 | H19A | 117.8° | 120.0° |
| C17 | C19 | C22 | H22 | 66.1° | 60.0° |
| C19 | C17 | C30 | H30 | 172.5° | 180.0° |
| C19 | C17 | C30 | H30A | 67.5° | 60.0° |
| C30 | C17 | C19 | C22 | 49.5° | 60.0° |
| C17 | C30 | C27 | C24 | 58.8° | 60.0° |
| C17 | C30 | C27 | H30 | 120.0° | 119.9° |
| C17 | C30 | C27 | H30A | 120.0° | 120.0° |
| C30 | C17 | C19 | H19 | 70.5° | 60.0° |
| C30 | C17 | C19 | H19A | 169.5° | 180.0° |
| C17 | C30 | C27 | H27 | 178.8° | 180.0° |
| C17 | C30 | C27 | H27A | 61.2° | 60.0° |
| C17 | C30 | H30 | H30A | 119.5° | 120.0° |
| C19 | C22 | C24 | C33 | 121.4° | 120.0° |
| C19 | C22 | C24 | H22 | 120.7° | 120.1° |
| C19 | C22 | C33 | H22 | 120.9° | 120.0° |
| C19 | C22 | C24 | C27 | 55.2° | 60.1° |
| C19 | C22 | C33 | O34 | 103.6° | 0.0° |
| C19 | C22 | C33 | N35 | 76.2° | 180.0° |
| C22 | C19 | C17 | H17 | 64.2° | 60.0° |
| C22 | C19 | H19 | H19A | 117.8° | 120.0° |
| C19 | C22 | C24 | H24 | 64.8° | 59.9° |
| C19 | C22 | C24 | H24A | 175.2° | 180.0° |
| C24 | C22 | C33 | H22 | 116.2° | 120.0° |
| C22 | C24 | C27 | H24 | 120.0° | 120.0° |
| C22 | C24 | C27 | H24A | 120.0° | 120.0° |
| C22 | C24 | C27 | C30 | 60.4° | 60.0° |
| C24 | C22 | C33 | O34 | 19.4° | 119.9° |
| C24 | C22 | C33 | N35 | 160.9° | 60.0° |
| C24 | C22 | C19 | H19 | 69.7° | 59.9° |
| C24 | C22 | C19 | H19A | 170.3° | 180.0° |
| C22 | C24 | H24 | H24A | 119.4° | 120.0° |
| C22 | C24 | C27 | H27 | 179.6° | 180.0° |
| C22 | C24 | C27 | H27A | 59.6° | 59.9° |
| C33 | C22 | C24 | C27 | 176.6° | 180.0° |
| C22 | C33 | O34 | N35 | 179.7° | 179.9° |
| C22 | C33 | N35 | C37 | 179.9° | 180.0° |
| C33 | C22 | C19 | H19 | 55.6° | 60.1° |
| C33 | C22 | C19 | H19A | 64.4° | 60.0° |
| C33 | C22 | C24 | H24 | 56.6° | 60.0° |
| C33 | C22 | C24 | H24A | 63.4° | 60.0° |
| C22 | C33 | N35 | HN35 | 0.1° | 0.0° |
| C24 | C27 | C30 | H27 | 120.0° | 120.0° |
| C24 | C27 | C30 | H27A | 120.0° | 120.0° |
| C27 | C24 | C22 | H22 | 65.5° | 60.0° |
| C27 | C24 | H24 | H24A | 119.3° | 120.0° |
| C24 | C27 | H27 | H27A | 119.6° | 120.1° |
| C24 | C27 | C30 | H30 | 178.8° | 180.0° |
| C24 | C27 | C30 | H30A | 61.2° | 60.0° |
| C27 | C30 | C17 | H17 | 64.4° | 60.0° |
| C30 | C27 | C24 | H24 | 59.6° | 60.0° |
| C30 | C27 | C24 | H24A | 179.5° | 180.0° |
| C30 | C27 | H27 | H27A | 119.7° | 120.0° |
| C27 | C30 | H30 | H30A | 119.5° | 120.0° |
| O34 | C33 | N35 | C37 | 0.1° | 0.1° |
| O34 | C33 | C22 | H22 | 135.6° | 120.0° |
| O34 | C33 | N35 | HN35 | 179.9° | 180.0° |
| C33 | N35 | C37 | HN35 | 180.0° | 180.0° |
| C33 | N35 | C37 | C39 | 105.3° | 155.0° |
| C33 | N35 | C37 | C71 | 131.6° | 85.0° |
| N35 | C33 | C22 | H22 | 44.7° | 60.1° |
| C33 | N35 | C37 | H37 | 12.2° | 35.0° |
| N35 | C37 | C39 | C71 | 120.9° | 120.0° |
| N35 | C37 | C39 | H37 | 119.8° | 120.0° |
| N35 | C37 | C71 | H37 | 119.9° | 119.9° |
| N35 | C37 | C39 | O41 | 178.3° | 65.0° |
| N35 | C37 | C39 | C43 | 63.4° | 175.0° |
| N35 | C37 | C71 | C74 | 56.7° | 65.0° |
| N35 | C37 | C39 | H39 | 57.4° | 55.0° |
| N35 | C37 | C71 | H71 | 63.3° | 55.0° |
| N35 | C37 | C71 | H71A | 176.7° | 175.0° |
| C39 | C37 | C71 | H37 | 117.5° | 120.0° |
| C37 | C39 | O41 | C43 | 120.9° | 120.0° |
| C37 | C39 | O41 | H39 | 118.3° | 120.0° |
| C37 | C39 | C43 | H39 | 118.3° | 120.0° |
| C37 | C39 | C43 | N46 | 172.8° | 175.0° |
| C39 | C37 | C71 | C74 | 179.3° | 175.0° |
| C39 | C37 | N35 | HN35 | 74.7° | 25.0° |
| C37 | C39 | O41 | HO41 | 180.0° | 60.0° |
| C37 | C39 | C43 | H43 | 67.2° | 55.0° |
| C37 | C39 | C43 | H43A | 52.8° | 64.9° |
| C39 | C37 | C71 | H71 | 59.3° | 65.0° |
| C39 | C37 | C71 | H71A | 60.7° | 55.0° |
| C71 | C37 | C39 | O41 | 57.3° | 55.0° |
| C71 | C37 | C39 | C43 | 175.7° | 65.0° |
| C37 | C71 | C74 | H71 | 120.0° | 120.0° |
| C37 | C71 | C74 | H71A | 120.0° | 120.0° |
| C37 | C71 | C74 | C75 | 23.5° | 90.0° |
| C37 | C71 | C74 | C83 | 156.6° | 90.3° |
| C71 | C37 | N35 | HN35 | 48.4° | 95.0° |
| C71 | C37 | C39 | H39 | 63.5° | 175.0° |
| C37 | C71 | H71 | H71A | 116.6° | 120.0° |
| O41 | C39 | C43 | H39 | 120.9° | 120.0° |
| O41 | C39 | C43 | N46 | 52.0° | 65.0° |
| O41 | C39 | C37 | H37 | 61.9° | 175.0° |
| O41 | C39 | C43 | H43 | 172.0° | 175.0° |
| O41 | C39 | C43 | H43A | 68.0° | 55.0° |
| C39 | C43 | N46 | H43 | 120.0° | 119.9° |
| C39 | C43 | N46 | H43A | 120.0° | 120.0° |
| C39 | C43 | N46 | C48 | 165.2° | 179.9° |
| C43 | C39 | C37 | H37 | 56.4° | 55.1° |
| C43 | C39 | O41 | HO41 | 59.1° | 59.9° |
| C39 | C43 | H43 | H43A | 118.6° | 120.0° |
| C39 | C43 | N46 | HN46 | 45.2° | 56.1° |
| C43 | N46 | C48 | HN46 | 120.0° | 124.0° |
| C43 | N46 | C48 | C51 | 64.6° | 180.0° |
| N46 | C43 | C39 | H39 | 68.9° | 55.0° |
| N46 | C43 | H43 | H43A | 118.6° | 120.1° |
| C43 | N46 | C48 | H48 | 175.3° | 60.0° |
| C43 | N46 | C48 | H48A | 55.4° | 60.0° |
| N46 | C48 | C51 | H48 | 120.0° | 120.0° |
| N46 | C48 | C51 | H48A | 120.0° | 120.0° |
| N46 | C48 | C51 | C52 | 57.9° | 90.0° |
| N46 | C48 | C51 | C59 | 122.3° | 90.2° |
| C48 | N46 | C43 | H43 | 74.8° | 60.0° |
| C48 | N46 | C43 | H43A | 45.2° | 60.0° |
| N46 | C48 | H48 | H48A | 119.2° | 120.0° |
| C48 | C51 | C52 | C59 | 179.8° | 179.8° |
| C48 | C51 | C52 | C54 | 180.0° | 180.0° |
| C48 | C51 | C59 | C57 | 180.0° | 179.8° |
| C51 | C48 | N46 | HN46 | 55.3° | 56.0° |
| C51 | C48 | H48 | H48A | 119.3° | 119.9° |
| C48 | C51 | C52 | H52 | 0.1° | 0.0° |
| C48 | C51 | C59 | H59 | 0.0° | 0.1° |
| C51 | C52 | C54 | H52 | 180.0° | 180.0° |
| C51 | C52 | C54 | C55 | 0.1° | 0.0° |
| C51 | C52 | C54 | C61 | 179.5° | 180.0° |
| C52 | C51 | C59 | C57 | 0.2° | 0.4° |
| C52 | C51 | C48 | H48 | 62.1° | 30.1° |
| C52 | C51 | C48 | H48A | 177.9° | 150.0° |
| C52 | C51 | C59 | H59 | 179.8° | 179.7° |
| C59 | C51 | C52 | C54 | 0.2° | 0.2° |
| C51 | C59 | C57 | C55 | 0.2° | 0.4° |
| C51 | C59 | C57 | H59 | 180.0° | 179.9° |
| C59 | C51 | C48 | H48 | 117.7° | 149.8° |
| C59 | C51 | C48 | H48A | 2.3° | 29.8° |
| C59 | C51 | C52 | H52 | 179.9° | 179.8° |
| C51 | C59 | C57 | H57 | 179.9° | 179.8° |
| C52 | C54 | C55 | C61 | 179.4° | 180.0° |
| C52 | C54 | C55 | C57 | 0.1° | 0.0° |
| C52 | C54 | C61 | C63 | 85.1° | 120.0° |
| C52 | C54 | C61 | C67 | 41.6° | 120.0° |
| C52 | C54 | C55 | H55 | 180.0° | 179.9° |
| C52 | C54 | C61 | H61 | 156.0° | 0.0° |
| C54 | C55 | C57 | H55 | 180.0° | 179.9° |
| C54 | C55 | C57 | C59 | 0.1° | 0.2° |
| C55 | C54 | C61 | C63 | 95.5° | 60.0° |
| C55 | C54 | C61 | C67 | 137.8° | 60.0° |
| C55 | C54 | C52 | H52 | 179.9° | 180.0° |
| C54 | C55 | C57 | H57 | 179.9° | 180.0° |
| C55 | C54 | C61 | H61 | 23.3° | 180.0° |
| C61 | C54 | C55 | C57 | 179.5° | 180.0° |
| C54 | C61 | C63 | C67 | 129.7° | 120.0° |
| C54 | C61 | C63 | H61 | 114.9° | 119.9° |
| C54 | C61 | C67 | H61 | 114.1° | 120.0° |
| C61 | C54 | C52 | H52 | 0.5° | 0.0° |
| C61 | C54 | C55 | H55 | 0.6° | 0.1° |
| C54 | C61 | C63 | H63 | 180.0° | 180.0° |
| C54 | C61 | C63 | H63A | 60.0° | 60.0° |
| C54 | C61 | C63 | H63B | 60.0° | 60.1° |
| C54 | C61 | C67 | H67 | 180.0° | 59.9° |
| C54 | C61 | C67 | H67A | 60.0° | 180.0° |
| C54 | C61 | C67 | H67B | 60.0° | 60.1° |
| C55 | C57 | C59 | H57 | 180.0° | 179.8° |
| C55 | C57 | C59 | H59 | 179.9° | 179.7° |
| C59 | C57 | C55 | H55 | 179.9° | 179.9° |
| C63 | C61 | C67 | H61 | 118.9° | 120.0° |
| C61 | C63 | H63 | H63A | 120.0° | 120.0° |
| C61 | C63 | H63 | H63B | 120.0° | 120.0° |
| C61 | C63 | H63A | H63B | 120.0° | 120.0° |
| C63 | C61 | C67 | H67 | 53.0° | 180.0° |
| C63 | C61 | C67 | H67A | 66.9° | 60.0° |
| C63 | C61 | C67 | H67B | 173.1° | 60.0° |
| C67 | C61 | C63 | H63 | 50.2° | 60.0° |
| C67 | C61 | C63 | H63A | 170.3° | 180.0° |
| C67 | C61 | C63 | H63B | 69.8° | 60.0° |
| C61 | C67 | H67 | H67A | 120.0° | 120.0° |
| C61 | C67 | H67 | H67B | 120.0° | 120.0° |
| C61 | C67 | H67A | H67B | 120.0° | 120.0° |
| C71 | C74 | C75 | C83 | 179.8° | 179.7° |
| C71 | C74 | C75 | C77 | 179.7° | 180.0° |
| C71 | C74 | C83 | C81 | 179.6° | 179.8° |
| C74 | C71 | C37 | H37 | 63.2° | 55.0° |
| C74 | C71 | H71 | H71A | 116.6° | 120.0° |
| C71 | C74 | C75 | H75 | 0.3° | 0.0° |
| C71 | C74 | C83 | H83 | 0.4° | 0.0° |
| C74 | C75 | C77 | H75 | 180.0° | 179.9° |
| C74 | C75 | C77 | C79 | 0.1° | 0.0° |
| C75 | C74 | C83 | C81 | 0.2° | 0.4° |
| C75 | C74 | C71 | H71 | 143.5° | 30.0° |
| C75 | C74 | C71 | H71A | 96.5° | 150.0° |
| C74 | C75 | C77 | H77 | 179.9° | 179.9° |
| C75 | C74 | C83 | H83 | 179.8° | 179.7° |
| C83 | C74 | C75 | C77 | 0.1° | 0.2° |
| C74 | C83 | C81 | C79 | 0.2° | 0.4° |
| C74 | C83 | C81 | H83 | 180.0° | 179.8° |
| C83 | C74 | C71 | H71 | 36.6° | 149.7° |
| C83 | C74 | C71 | H71A | 83.4° | 29.7° |
| C83 | C74 | C75 | H75 | 179.9° | 179.7° |
| C74 | C83 | C81 | H81 | 179.8° | 179.7° |
| C75 | C77 | C79 | H77 | 180.0° | 179.9° |
| C75 | C77 | C79 | C81 | 0.1° | 0.1° |
| C75 | C77 | C79 | H79 | 180.0° | 179.9° |
| C77 | C79 | C81 | H79 | 180.0° | 180.0° |
| C77 | C79 | C81 | C83 | 0.2° | 0.1° |
| C79 | C77 | C75 | H75 | 179.9° | 180.0° |
| C77 | C79 | C81 | H81 | 179.8° | 180.0° |
| C79 | C81 | C83 | H81 | 180.0° | 179.9° |
| C81 | C79 | C77 | H77 | 179.9° | 180.0° |
| C79 | C81 | C83 | H83 | 179.8° | 179.8° |
| C83 | C81 | C79 | H79 | 179.9° | 179.8° |
| H2 | C2 | C5 | H5 | 46.8° | 50.2° |
| H2 | C2 | C5 | H5A | 166.9° | 170.7° |
| H2A | C2 | C5 | H5 | 73.1° | 69.2° |
| H2A | C2 | C5 | H5A | 46.9° | 51.3° |
| H5 | C5 | C8 | H8 | 60.4° | 67.5° |
| H5 | C5 | C8 | H8A | 59.6° | 53.0° |
| H5A | C5 | C8 | H8 | 179.6° | 172.0° |
| H5A | C5 | C8 | H8A | 60.4° | 67.5° |
| H8 | C8 | C11 | H11 | 47.2° | 49.4° |
| H8 | C8 | C11 | H11A | 167.2° | 169.1° |
| H8A | C8 | C11 | H11 | 72.8° | 71.3° |
| H8A | C8 | C11 | H11A | 47.2° | 48.4° |
| H17 | C17 | C19 | H19 | 175.9° | 180.0° |
| H17 | C17 | C19 | H19A | 55.8° | 60.0° |
| H17 | C17 | C30 | H30 | 55.6° | 60.0° |
| H17 | C17 | C30 | H30A | 175.6° | 180.0° |
| H19 | C19 | C22 | H22 | 173.9° | 180.0° |
| H19A | C19 | C22 | H22 | 53.9° | 60.0° |
| H22 | C22 | C24 | H24 | 174.5° | 180.0° |
| H22 | C22 | C24 | H24A | 54.5° | 59.9° |
| H24 | C24 | C27 | H27 | 60.4° | 60.0° |
| H24 | C24 | C27 | H27A | 179.6° | 180.0° |
| H24A | C24 | C27 | H27 | 59.6° | 60.0° |
| H24A | C24 | C27 | H27A | 60.4° | 60.0° |
| H27 | C27 | C30 | H30 | 61.2° | 60.0° |
| H27 | C27 | C30 | H30A | 58.8° | 60.0° |
| H27A | C27 | C30 | H30 | 58.8° | 60.0° |
| H27A | C27 | C30 | H30A | 178.8° | 180.0° |
| HN35 | N35 | C37 | H37 | 167.8° | 145.0° |
| H37 | C37 | C39 | H39 | 177.2° | 65.0° |
| H37 | C37 | C71 | H71 | 176.8° | 175.0° |
| H37 | C37 | C71 | H71A | 56.8° | 65.1° |
| H39 | C39 | O41 | HO41 | 61.7° | 180.0° |
| H39 | C39 | C43 | H43 | 51.1° | 65.0° |
| H39 | C39 | C43 | H43A | 171.1° | 175.0° |
| H43 | C43 | N46 | HN46 | 165.2° | 176.0° |
| H43A | C43 | N46 | HN46 | 74.8° | 64.0° |
| HN46 | N46 | C48 | H48 | 64.7° | 176.1° |
| HN46 | N46 | C48 | H48A | 175.4° | 64.0° |
| H55 | C55 | C57 | H57 | 0.1° | 0.0° |
| H57 | C57 | C59 | H59 | 0.1° | 0.1° |
| H61 | C61 | C63 | H63 | 65.1° | 60.0° |
| H61 | C61 | C63 | H63A | 55.0° | 59.9° |
| H61 | C61 | C63 | H63B | 174.9° | 180.0° |
| H61 | C61 | C67 | H67 | 65.9° | 60.0° |
| H61 | C61 | C67 | H67A | 174.2° | 60.0° |
| H61 | C61 | C67 | H67B | 54.2° | 180.0° |
| H63 | C63 | H63A | H63B | 119.9° | 120.0° |
| H67 | C67 | H67A | H67B | 120.0° | 120.0° |
| H75 | C75 | C77 | H77 | 0.1° | 0.1° |
| H77 | C77 | C79 | H79 | 0.1° | 0.0° |
| H79 | C79 | C81 | H81 | 0.1° | 0.1° |
| H81 | C81 | C83 | H83 | 0.2° | 0.1° |
| H85 | C85 | H85A | H85B | 120.0° | 120.0° |
| H89 | C89 | H89A | H89B | 120.0° | 120.0° |
