A1IKJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.21Å | 1.25Å | |
| C06 | C05 | sing | 1.53Å | 1.57Å | |
| C02 | C04 | sing | 1.49Å | 1.48Å | |
| C02 | N01 | sing | 1.31Å | 1.39Å | |
| C04 | C05 | sing | 1.52Å | 1.53Å | |
| N01 | C09 | sing | 1.38Å | 1.42Å | |
| C05 | N07 | sing | 1.46Å | 1.47Å | |
| N07 | C08 | sing | 1.39Å | 1.40Å | |
| C09 | C08 | doub | 1.40Å | 1.42Å | Aromatic |
| C09 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| C08 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C38 | sing | 1.48Å | 1.52Å | |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C14 | sing | 1.46Å | 1.53Å | |
| C38 | C37 | doub | 1.33Å | 1.35Å | |
| C34 | N30 | sing | 1.45Å | 1.49Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| O23 | C24 | sing | 1.36Å | 1.40Å | |
| O23 | C22 | sing | 1.43Å | 1.42Å | |
| C29 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.44Å | Aromatic |
| N30 | C28 | sing | 1.38Å | 1.43Å | |
| N30 | C31 | sing | 1.46Å | 1.50Å | |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.43Å | Aromatic |
| C14 | O15 | doub | 1.22Å | 1.25Å | |
| C14 | N16 | sing | 1.33Å | 1.48Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.52Å | 1.53Å | |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C20 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C33 | sing | 1.50Å | 1.53Å | |
| C37 | C36 | sing | 1.51Å | 1.54Å | |
| O19 | C20 | sing | 1.43Å | 1.37Å | |
| O19 | C18 | sing | 1.42Å | 1.40Å | |
| N16 | C21 | sing | 1.47Å | 1.53Å | |
| N16 | C17 | sing | 1.48Å | 1.47Å | |
| C21 | C20 | sing | 1.54Å | 1.58Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.52Å | 1.54Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C04 | H23 | sing | 1.09Å | 1.10Å | |
| C04 | H24 | sing | 1.09Å | 1.10Å | |
| C05 | H25 | sing | 1.09Å | 1.10Å | |
| C06 | H26 | sing | 1.09Å | 1.10Å | |
| C06 | H27 | sing | 1.09Å | 1.10Å | |
| C06 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.08Å | 1.08Å | |
| C38 | H34 | sing | 1.08Å | 1.08Å | |
| N01 | H35 | sing | 0.97Å | 1.00Å | |
| N07 | H36 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | C04 | 116.7° | 116.0° |
| O03 | C02 | N01 | 115.6° | 115.9° |
| C06 | C05 | C04 | 105.3° | 109.1° |
| C06 | C05 | N07 | 112.1° | 109.0° |
| C06 | C05 | H25 | 108.1° | 108.8° |
| C05 | C06 | H26 | 109.5° | 109.5° |
| C05 | C06 | H27 | 109.4° | 109.5° |
| C05 | C06 | H28 | 109.5° | 109.5° |
| C04 | C02 | N01 | 127.7° | 128.1° |
| C02 | C04 | C05 | 110.6° | 114.1° |
| C02 | C04 | H23 | 109.2° | 108.5° |
| C02 | C04 | H24 | 109.2° | 108.5° |
| C02 | N01 | C09 | 128.8° | 129.7° |
| C02 | N01 | H35 | 115.6° | 115.2° |
| C04 | C05 | N07 | 113.2° | 111.7° |
| C05 | C04 | H23 | 109.2° | 108.5° |
| C05 | C04 | H24 | 109.2° | 108.6° |
| C04 | C05 | H25 | 108.6° | 109.1° |
| N01 | C09 | C08 | 117.6° | 121.0° |
| N01 | C09 | C13 | 122.0° | 119.5° |
| C09 | N01 | H35 | 115.6° | 115.1° |
| C05 | N07 | C08 | 134.3° | 111.3° |
| N07 | C05 | H25 | 109.3° | 109.2° |
| C05 | N07 | H36 | 102.9° | 111.0° |
| N07 | C08 | C09 | 120.7° | 119.3° |
| N07 | C08 | C10 | 120.9° | 120.4° |
| C08 | N07 | H36 | 103.0° | 111.0° |
| C08 | C09 | C13 | 120.3° | 119.5° |
| C09 | C08 | C10 | 118.4° | 120.3° |
| C09 | C13 | C12 | 122.9° | 120.6° |
| C09 | C13 | H2 | 118.5° | 119.8° |
| C08 | C10 | C38 | 123.4° | 121.0° |
| C08 | C10 | C11 | 118.5° | 120.0° |
| C13 | C12 | C11 | 114.3° | 119.9° |
| C13 | C12 | C14 | 126.0° | 120.3° |
| C12 | C13 | H2 | 118.5° | 119.7° |
| C38 | C10 | C11 | 118.1° | 119.1° |
| C10 | C38 | C37 | 131.4° | 118.9° |
| C10 | C38 | H34 | 114.3° | 120.6° |
| C10 | C11 | C12 | 125.5° | 119.8° |
| C10 | C11 | H1 | 117.2° | 120.1° |
| C11 | C12 | C14 | 119.7° | 119.8° |
| C12 | C11 | H1 | 117.2° | 120.1° |
| C12 | C14 | O15 | 119.9° | 116.9° |
| C12 | C14 | N16 | 124.4° | 126.2° |
| C38 | C37 | C36 | 132.5° | 120.8° |
| C38 | C37 | H33 | 113.8° | 119.5° |
| C37 | C38 | H34 | 114.3° | 120.6° |
| N30 | C34 | C35 | 115.2° | 111.4° |
| C34 | N30 | C28 | 122.0° | 115.0° |
| C34 | N30 | C31 | 113.1° | 115.5° |
| N30 | C34 | H21 | 108.0° | 109.1° |
| N30 | C34 | H22 | 108.0° | 109.1° |
| C34 | C35 | C36 | 117.8° | 109.6° |
| C35 | C34 | H21 | 108.0° | 109.1° |
| C35 | C34 | H22 | 108.0° | 109.1° |
| C34 | C35 | H29 | 107.4° | 109.4° |
| C34 | C35 | H30 | 107.3° | 109.5° |
| C24 | O23 | C22 | 124.0° | 117.0° |
| O23 | C24 | C29 | 125.7° | 120.0° |
| O23 | C24 | C25 | 117.0° | 120.2° |
| O23 | C22 | C20 | 114.0° | 109.8° |
| O23 | C22 | H10 | 108.3° | 109.4° |
| O23 | C22 | H11 | 108.3° | 109.4° |
| C24 | C29 | C28 | 124.3° | 120.3° |
| C29 | C24 | C25 | 117.4° | 119.8° |
| C24 | C29 | H14 | 117.9° | 119.8° |
| C29 | C28 | N30 | 122.9° | 119.3° |
| C29 | C28 | C27 | 117.1° | 119.8° |
| C28 | C29 | H14 | 117.8° | 119.8° |
| C28 | N30 | C31 | 121.9° | 113.1° |
| N30 | C28 | C27 | 120.0° | 120.8° |
| N30 | C31 | C32 | 114.6° | 108.6° |
| N30 | C31 | H15 | 108.2° | 109.6° |
| N30 | C31 | H16 | 108.2° | 109.7° |
| C24 | C25 | C26 | 119.2° | 119.9° |
| C24 | C25 | H12 | 120.4° | 120.1° |
| C28 | C27 | C26 | 117.5° | 119.4° |
| C28 | C27 | C33 | 120.9° | 122.2° |
| O15 | C14 | N16 | 115.8° | 116.9° |
| C14 | N16 | C21 | 126.4° | 122.4° |
| C14 | N16 | C17 | 122.5° | 118.8° |
| C31 | C32 | C33 | 112.4° | 110.7° |
| C32 | C31 | H15 | 108.2° | 109.6° |
| C32 | C31 | H16 | 108.2° | 109.6° |
| C31 | C32 | H17 | 108.7° | 109.2° |
| C31 | C32 | H18 | 108.8° | 109.2° |
| C32 | C33 | C27 | 115.9° | 112.8° |
| C33 | C32 | H17 | 108.8° | 109.3° |
| C33 | C32 | H18 | 108.7° | 109.3° |
| C32 | C33 | H19 | 107.8° | 108.8° |
| C32 | C33 | H20 | 107.8° | 108.8° |
| C25 | C26 | C27 | 124.5° | 120.7° |
| C26 | C25 | H12 | 120.4° | 120.0° |
| C25 | C26 | H13 | 117.7° | 119.6° |
| C22 | C20 | O19 | 114.0° | 109.6° |
| C22 | C20 | C21 | 113.9° | 109.2° |
| C22 | C20 | H7 | 106.5° | 109.7° |
| C20 | C22 | H10 | 108.3° | 109.4° |
| C20 | C22 | H11 | 108.3° | 109.4° |
| C26 | C27 | C33 | 121.7° | 118.3° |
| C27 | C26 | H13 | 117.7° | 119.6° |
| C27 | C33 | H19 | 107.9° | 108.9° |
| C27 | C33 | H20 | 107.8° | 108.8° |
| C37 | C36 | C35 | 115.7° | 109.6° |
| C37 | C36 | H31 | 107.9° | 109.4° |
| C37 | C36 | H32 | 107.9° | 109.4° |
| C36 | C37 | H33 | 113.7° | 119.7° |
| C20 | O19 | C18 | 111.8° | 116.4° |
| O19 | C20 | C21 | 106.7° | 109.2° |
| O19 | C20 | H7 | 109.0° | 109.9° |
| O19 | C18 | C17 | 112.8° | 112.5° |
| O19 | C18 | H5 | 108.6° | 108.8° |
| O19 | C18 | H6 | 108.6° | 108.8° |
| C21 | N16 | C17 | 111.1° | 118.8° |
| N16 | C21 | C20 | 111.2° | 108.8° |
| N16 | C21 | H8 | 109.1° | 109.6° |
| N16 | C21 | H9 | 109.0° | 109.7° |
| N16 | C17 | C18 | 109.3° | 109.8° |
| N16 | C17 | H3 | 109.5° | 109.5° |
| N16 | C17 | H4 | 109.5° | 109.4° |
| C21 | C20 | H7 | 106.3° | 109.2° |
| C20 | C21 | H8 | 109.0° | 109.6° |
| C20 | C21 | H9 | 109.0° | 109.6° |
| C36 | C35 | H29 | 107.3° | 109.5° |
| C36 | C35 | H30 | 107.4° | 109.4° |
| C35 | C36 | H31 | 107.9° | 109.5° |
| C35 | C36 | H32 | 107.9° | 109.5° |
| C18 | C17 | H3 | 109.5° | 109.4° |
| C18 | C17 | H4 | 109.5° | 109.3° |
| C17 | C18 | H5 | 108.6° | 108.9° |
| C17 | C18 | H6 | 108.6° | 108.9° |
| H3 | C17 | H4 | 109.5° | 109.4° |
| H5 | C18 | H6 | 109.5° | 108.9° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H15 | C31 | H16 | 109.4° | 109.6° |
| H17 | C32 | H18 | 109.5° | 109.1° |
| H19 | C33 | H20 | 109.5° | 108.7° |
| H21 | C34 | H22 | 109.5° | 109.0° |
| H23 | C04 | H24 | 109.5° | 108.5° |
| H26 | C06 | H27 | 109.5° | 109.5° |
| H26 | C06 | H28 | 109.4° | 109.5° |
| H27 | C06 | H28 | 109.5° | 109.4° |
| H29 | C35 | H30 | 109.5° | 109.4° |
| H31 | C36 | H32 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | C04 | N01 | 180.0° | 179.9° |
| O03 | C02 | C04 | C05 | 118.9° | 140.5° |
| O03 | C02 | N01 | C09 | 178.6° | 153.2° |
| O03 | C02 | C04 | H23 | 121.0° | 98.3° |
| O03 | C02 | C04 | H24 | 1.3° | 19.3° |
| O03 | C02 | N01 | H35 | 1.4° | 26.7° |
| C06 | C05 | C04 | C02 | 79.4° | 141.8° |
| C06 | C05 | C04 | N07 | 122.8° | 120.5° |
| C06 | C05 | C04 | H25 | 115.6° | 118.8° |
| C06 | C05 | N07 | H25 | 119.9° | 118.8° |
| C06 | C05 | N07 | C08 | 145.7° | 151.6° |
| C06 | C05 | C04 | H23 | 160.4° | 97.1° |
| C06 | C05 | C04 | H24 | 40.8° | 20.6° |
| C05 | C06 | H26 | H27 | 120.0° | 120.1° |
| C05 | C06 | H26 | H28 | 120.0° | 120.0° |
| C05 | C06 | H27 | H28 | 120.0° | 120.0° |
| C06 | C05 | N07 | H36 | 91.3° | 27.4° |
| C02 | C04 | C05 | H23 | 120.2° | 121.1° |
| C02 | C04 | C05 | H24 | 120.2° | 121.2° |
| C04 | C02 | N01 | C09 | 1.4° | 26.7° |
| C02 | C04 | C05 | N07 | 43.4° | 21.3° |
| C02 | C04 | H23 | H24 | 119.5° | 117.7° |
| C02 | C04 | C05 | H25 | 165.0° | 99.4° |
| C04 | C02 | N01 | H35 | 178.6° | 153.4° |
| N01 | C02 | C04 | C05 | 61.1° | 39.4° |
| C02 | N01 | C09 | H35 | 180.0° | 179.9° |
| C02 | N01 | C09 | C08 | 38.1° | 20.8° |
| C02 | N01 | C09 | C13 | 142.0° | 159.1° |
| N01 | C02 | C04 | H23 | 59.0° | 81.7° |
| N01 | C02 | C04 | H24 | 178.7° | 160.6° |
| C04 | C05 | N07 | H25 | 121.2° | 120.7° |
| C04 | C05 | N07 | C08 | 26.7° | 87.8° |
| C05 | C04 | H23 | H24 | 119.5° | 117.8° |
| C04 | C05 | C06 | H26 | 180.0° | 60.0° |
| C04 | C05 | C06 | H27 | 60.0° | 180.0° |
| C04 | C05 | C06 | H28 | 60.0° | 60.0° |
| C04 | C05 | N07 | H36 | 149.8° | 148.0° |
| N01 | C09 | C08 | N07 | 0.8° | 0.3° |
| N01 | C09 | C08 | C13 | 179.9° | 179.8° |
| N01 | C09 | C08 | C10 | 179.5° | 179.8° |
| N01 | C09 | C13 | C12 | 179.7° | 179.7° |
| N01 | C09 | C13 | H2 | 0.2° | 0.3° |
| C05 | N07 | C08 | H36 | 123.1° | 124.2° |
| C05 | N07 | C08 | C09 | 56.4° | 71.3° |
| C05 | N07 | C08 | C10 | 124.9° | 108.8° |
| N07 | C05 | C04 | H23 | 76.8° | 142.4° |
| N07 | C05 | C04 | H24 | 163.6° | 99.9° |
| N07 | C05 | C06 | H26 | 56.5° | 62.1° |
| N07 | C05 | C06 | H27 | 176.5° | 57.9° |
| N07 | C05 | C06 | H28 | 63.5° | 177.9° |
| N07 | C08 | C09 | C10 | 178.7° | 179.9° |
| N07 | C08 | C09 | C13 | 179.1° | 179.9° |
| N07 | C08 | C10 | C38 | 1.0° | 0.6° |
| N07 | C08 | C10 | C11 | 179.3° | 179.9° |
| C08 | N07 | C05 | H25 | 94.5° | 32.9° |
| C08 | C09 | C13 | C12 | 0.4° | 0.1° |
| C09 | C08 | C10 | C38 | 179.8° | 179.5° |
| C09 | C08 | C10 | C11 | 0.6° | 0.1° |
| C08 | C09 | C13 | H2 | 179.6° | 179.8° |
| C08 | C09 | N01 | H35 | 141.9° | 159.2° |
| C09 | C08 | N07 | H36 | 179.5° | 164.4° |
| C13 | C09 | C08 | C10 | 0.4° | 0.1° |
| C09 | C13 | C12 | H2 | 180.0° | 179.9° |
| C09 | C13 | C12 | C11 | 0.9° | 0.1° |
| C09 | C13 | C12 | C14 | 179.3° | 179.8° |
| C13 | C09 | N01 | H35 | 38.0° | 21.0° |
| C08 | C10 | C38 | C11 | 179.7° | 179.5° |
| C08 | C10 | C11 | C12 | 0.0° | 0.1° |
| C08 | C10 | C38 | C37 | 154.4° | 175.6° |
| C08 | C10 | C11 | H1 | 180.0° | 179.9° |
| C08 | C10 | C38 | H34 | 25.6° | 4.7° |
| C10 | C08 | N07 | H36 | 1.9° | 15.5° |
| C13 | C12 | C11 | C10 | 0.7° | 0.1° |
| C13 | C12 | C11 | C14 | 178.5° | 180.0° |
| C13 | C12 | C14 | O15 | 51.1° | 5.7° |
| C13 | C12 | C14 | N16 | 127.5° | 174.3° |
| C13 | C12 | C11 | H1 | 179.3° | 179.8° |
| C38 | C10 | C11 | C12 | 179.7° | 179.4° |
| C10 | C38 | C37 | H34 | 180.0° | 179.7° |
| C10 | C38 | C37 | C36 | 179.5° | 179.8° |
| C38 | C10 | C11 | H1 | 0.3° | 0.6° |
| C10 | C38 | C37 | H33 | 0.5° | 0.0° |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 179.3° | 179.8° |
| C11 | C10 | C38 | C37 | 25.9° | 3.9° |
| C11 | C10 | C38 | H34 | 154.1° | 175.8° |
| C11 | C12 | C14 | O15 | 130.6° | 174.2° |
| C11 | C12 | C14 | N16 | 50.8° | 5.8° |
| C11 | C12 | C13 | H2 | 179.1° | 179.8° |
| C12 | C14 | O15 | N16 | 178.7° | 180.0° |
| C12 | C14 | N16 | C21 | 2.2° | 97.8° |
| C12 | C14 | N16 | C17 | 179.7° | 82.5° |
| C14 | C12 | C11 | H1 | 0.7° | 0.2° |
| C14 | C12 | C13 | H2 | 0.7° | 0.2° |
| C38 | C37 | C36 | H33 | 180.0° | 179.8° |
| C38 | C37 | C36 | C35 | 115.1° | 159.7° |
| C38 | C37 | C36 | H31 | 124.0° | 80.2° |
| C38 | C37 | C36 | H32 | 5.8° | 39.7° |
| N30 | C34 | C35 | H21 | 120.8° | 120.6° |
| N30 | C34 | C35 | H22 | 120.8° | 120.5° |
| C34 | N30 | C28 | C29 | 16.1° | 13.4° |
| C34 | N30 | C28 | C31 | 159.1° | 135.6° |
| C34 | N30 | C28 | C27 | 163.7° | 166.5° |
| C34 | N30 | C31 | C32 | 172.2° | 164.4° |
| N30 | C34 | C35 | C36 | 150.7° | 157.3° |
| C34 | N30 | C31 | H15 | 67.0° | 44.6° |
| C34 | N30 | C31 | H16 | 51.4° | 75.8° |
| N30 | C34 | H21 | H22 | 117.4° | 119.0° |
| N30 | C34 | C35 | H29 | 88.1° | 37.2° |
| N30 | C34 | C35 | H30 | 29.5° | 82.7° |
| C35 | C34 | N30 | C28 | 88.4° | 120.6° |
| C35 | C34 | N30 | C31 | 72.3° | 13.9° |
| C34 | C35 | C36 | C37 | 40.8° | 68.0° |
| C34 | C35 | C36 | H29 | 121.2° | 120.0° |
| C34 | C35 | C36 | H30 | 121.2° | 120.0° |
| C35 | C34 | H21 | H22 | 117.4° | 119.0° |
| C34 | C35 | H29 | H30 | 116.2° | 120.0° |
| C34 | C35 | C36 | H31 | 161.7° | 52.0° |
| C34 | C35 | C36 | H32 | 80.1° | 172.0° |
| O23 | C24 | C29 | C25 | 178.9° | 179.4° |
| O23 | C24 | C29 | C28 | 179.6° | 178.8° |
| O23 | C24 | C25 | C26 | 179.4° | 178.7° |
| C24 | O23 | C22 | C20 | 126.8° | 150.6° |
| C24 | O23 | C22 | H10 | 6.1° | 30.5° |
| C24 | O23 | C22 | H11 | 112.5° | 89.3° |
| O23 | C24 | C25 | H12 | 0.6° | 1.4° |
| O23 | C24 | C29 | H14 | 0.4° | 1.2° |
| C22 | O23 | C24 | C29 | 151.0° | 6.3° |
| C22 | O23 | C24 | C25 | 27.9° | 173.1° |
| O23 | C22 | C20 | H10 | 120.7° | 120.1° |
| O23 | C22 | C20 | H11 | 120.7° | 120.1° |
| O23 | C22 | C20 | O19 | 119.5° | 99.1° |
| O23 | C22 | C20 | C21 | 3.3° | 141.4° |
| O23 | C22 | C20 | H7 | 120.2° | 21.7° |
| O23 | C22 | H10 | H11 | 117.9° | 119.9° |
| C24 | C29 | C28 | H14 | 180.0° | 180.0° |
| C24 | C29 | C28 | N30 | 179.8° | 179.9° |
| C24 | C29 | C28 | C27 | 0.5° | 0.2° |
| C29 | C24 | C25 | C26 | 0.4° | 0.7° |
| C29 | C24 | C25 | H12 | 179.6° | 179.2° |
| C29 | C28 | N30 | C27 | 179.8° | 179.9° |
| C29 | C28 | N30 | C31 | 175.1° | 149.0° |
| C28 | C29 | C24 | C25 | 0.7° | 0.7° |
| C29 | C28 | C27 | C26 | 0.0° | 0.9° |
| C29 | C28 | C27 | C33 | 180.0° | 178.9° |
| C28 | N30 | C31 | C32 | 27.1° | 60.3° |
| N30 | C28 | C27 | C26 | 179.8° | 179.2° |
| N30 | C28 | C27 | C33 | 0.2° | 1.0° |
| N30 | C28 | C29 | H14 | 0.3° | 0.1° |
| C28 | N30 | C31 | H15 | 93.7° | 180.0° |
| C28 | N30 | C31 | H16 | 147.8° | 59.5° |
| C28 | N30 | C34 | H21 | 32.4° | 118.9° |
| C28 | N30 | C34 | H22 | 150.7° | 0.1° |
| C31 | N30 | C28 | C27 | 4.7° | 30.9° |
| N30 | C31 | C32 | H15 | 120.8° | 119.8° |
| N30 | C31 | C32 | H16 | 120.8° | 119.8° |
| N30 | C31 | C32 | C33 | 42.9° | 60.6° |
| N30 | C31 | H15 | H16 | 117.6° | 120.5° |
| N30 | C31 | C32 | H17 | 163.3° | 179.0° |
| N30 | C31 | C32 | H18 | 77.6° | 59.7° |
| C31 | N30 | C34 | H21 | 166.9° | 106.6° |
| C31 | N30 | C34 | H22 | 48.5° | 134.4° |
| C24 | C25 | C26 | H12 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C24 | C25 | C26 | H13 | 180.0° | 179.9° |
| C25 | C24 | C29 | H14 | 179.3° | 179.3° |
| C28 | C27 | C33 | C32 | 17.8° | 2.6° |
| C28 | C27 | C26 | C25 | 0.2° | 0.9° |
| C28 | C27 | C26 | C33 | 180.0° | 179.8° |
| C28 | C27 | C26 | H13 | 179.8° | 179.1° |
| C27 | C28 | C29 | H14 | 179.5° | 179.8° |
| C28 | C27 | C33 | H19 | 103.1° | 123.4° |
| C28 | C27 | C33 | H20 | 138.7° | 118.2° |
| O15 | C14 | N16 | C21 | 179.2° | 82.2° |
| O15 | C14 | N16 | C17 | 1.7° | 97.5° |
| C14 | N16 | C21 | C17 | 177.7° | 179.7° |
| C14 | N16 | C21 | C20 | 143.1° | 167.2° |
| C14 | N16 | C17 | C18 | 127.3° | 127.7° |
| C14 | N16 | C17 | H3 | 7.3° | 7.6° |
| C14 | N16 | C17 | H4 | 112.8° | 112.3° |
| C14 | N16 | C21 | H8 | 96.6° | 73.0° |
| C14 | N16 | C21 | H9 | 22.8° | 47.3° |
| C31 | C32 | C33 | H17 | 120.4° | 120.3° |
| C31 | C32 | C33 | H18 | 120.4° | 120.3° |
| C31 | C32 | C33 | C27 | 38.6° | 31.8° |
| C32 | C31 | H15 | H16 | 117.6° | 120.4° |
| C31 | C32 | H17 | H18 | 118.7° | 119.4° |
| C31 | C32 | C33 | H19 | 82.3° | 152.7° |
| C31 | C32 | C33 | H20 | 159.6° | 89.1° |
| C32 | C33 | C27 | C26 | 162.2° | 177.6° |
| C32 | C33 | C27 | H19 | 120.9° | 120.9° |
| C32 | C33 | C27 | H20 | 120.9° | 120.8° |
| C33 | C32 | C31 | H15 | 77.9° | 179.6° |
| C33 | C32 | C31 | H16 | 163.6° | 59.2° |
| C33 | C32 | H17 | H18 | 118.7° | 119.4° |
| C32 | C33 | H19 | H20 | 117.1° | 118.3° |
| C25 | C26 | C27 | H13 | 180.0° | 180.0° |
| C25 | C26 | C27 | C33 | 179.8° | 178.9° |
| C22 | C20 | O19 | C21 | 126.7° | 119.6° |
| C22 | C20 | O19 | H7 | 118.9° | 120.7° |
| C22 | C20 | O19 | C18 | 161.9° | 54.6° |
| C22 | C20 | C21 | N16 | 148.3° | 76.1° |
| C22 | C20 | C21 | H7 | 117.1° | 120.0° |
| C22 | C20 | C21 | H8 | 91.5° | 43.8° |
| C22 | C20 | C21 | H9 | 28.0° | 164.0° |
| C20 | C22 | H10 | H11 | 117.9° | 119.9° |
| C27 | C26 | C25 | H12 | 180.0° | 179.9° |
| C26 | C27 | C33 | H19 | 76.9° | 56.7° |
| C26 | C27 | C33 | H20 | 41.2° | 61.6° |
| C33 | C27 | C26 | H13 | 0.3° | 1.1° |
| C27 | C33 | C32 | H17 | 159.1° | 152.1° |
| C27 | C33 | C32 | H18 | 81.8° | 88.5° |
| C27 | C33 | H19 | H20 | 117.1° | 118.4° |
| C37 | C36 | C35 | H31 | 120.9° | 120.0° |
| C37 | C36 | C35 | H32 | 120.9° | 120.0° |
| C37 | C36 | C35 | H29 | 162.0° | 172.0° |
| C37 | C36 | C35 | H30 | 80.4° | 52.1° |
| C37 | C36 | H31 | H32 | 117.2° | 119.9° |
| C36 | C37 | C38 | H34 | 0.5° | 0.5° |
| O19 | C20 | C21 | N16 | 21.5° | 43.7° |
| O19 | C20 | C21 | H7 | 116.2° | 120.2° |
| C20 | O19 | C18 | C17 | 56.1° | 23.4° |
| C20 | O19 | C18 | H5 | 64.4° | 97.3° |
| C20 | O19 | C18 | H6 | 176.6° | 144.2° |
| O19 | C20 | C21 | H8 | 141.8° | 163.5° |
| O19 | C20 | C21 | H9 | 98.7° | 76.3° |
| O19 | C20 | C22 | H10 | 119.8° | 140.8° |
| O19 | C20 | C22 | H11 | 1.2° | 21.0° |
| O19 | C18 | C17 | N16 | 10.6° | 32.9° |
| C18 | O19 | C20 | C21 | 71.4° | 65.0° |
| O19 | C18 | C17 | H5 | 120.5° | 120.7° |
| O19 | C18 | C17 | H6 | 120.5° | 120.7° |
| O19 | C18 | C17 | H3 | 130.5° | 153.0° |
| O19 | C18 | C17 | H4 | 109.4° | 87.2° |
| O19 | C18 | H5 | H6 | 118.5° | 118.5° |
| C18 | O19 | C20 | H7 | 43.0° | 175.3° |
| N16 | C21 | C20 | H8 | 120.3° | 119.8° |
| N16 | C21 | C20 | H9 | 120.2° | 120.0° |
| C21 | N16 | C17 | C18 | 54.9° | 52.0° |
| C21 | N16 | C17 | H3 | 174.8° | 172.1° |
| C21 | N16 | C17 | H4 | 65.1° | 68.0° |
| N16 | C21 | C20 | H7 | 94.7° | 163.9° |
| N16 | C21 | H8 | H9 | 119.2° | 120.4° |
| C17 | N16 | C21 | C20 | 39.2° | 12.5° |
| N16 | C17 | C18 | H3 | 120.0° | 120.1° |
| N16 | C17 | C18 | H4 | 119.9° | 120.1° |
| N16 | C17 | H3 | H4 | 120.1° | 119.9° |
| N16 | C17 | C18 | H5 | 131.1° | 153.6° |
| N16 | C17 | C18 | H6 | 109.9° | 87.8° |
| C17 | N16 | C21 | H8 | 81.1° | 107.3° |
| C17 | N16 | C21 | H9 | 159.4° | 132.4° |
| C20 | C21 | H8 | H9 | 119.2° | 120.2° |
| C21 | C20 | C22 | H10 | 117.4° | 21.3° |
| C21 | C20 | C22 | H11 | 124.0° | 98.5° |
| C36 | C35 | C34 | H21 | 29.9° | 36.7° |
| C36 | C35 | C34 | H22 | 88.5° | 82.2° |
| C36 | C35 | H29 | H30 | 116.2° | 119.9° |
| C35 | C36 | H31 | H32 | 117.2° | 120.0° |
| C35 | C36 | C37 | H33 | 64.9° | 20.1° |
| C18 | C17 | H3 | H4 | 120.1° | 119.7° |
| C17 | C18 | H5 | H6 | 118.5° | 118.6° |
| H3 | C17 | C18 | H5 | 109.0° | 86.3° |
| H3 | C17 | C18 | H6 | 10.0° | 32.3° |
| H4 | C17 | C18 | H5 | 11.1° | 33.5° |
| H4 | C17 | C18 | H6 | 130.1° | 152.1° |
| H7 | C20 | C21 | H8 | 25.6° | 76.2° |
| H7 | C20 | C21 | H9 | 145.1° | 43.9° |
| H7 | C20 | C22 | H10 | 0.5° | 98.4° |
| H7 | C20 | C22 | H11 | 119.1° | 141.8° |
| H12 | C25 | C26 | H13 | 0.0° | 0.1° |
| H15 | C31 | C32 | H17 | 42.5° | 59.2° |
| H15 | C31 | C32 | H18 | 161.7° | 60.1° |
| H16 | C31 | C32 | H17 | 75.9° | 61.1° |
| H16 | C31 | C32 | H18 | 43.2° | 179.5° |
| H17 | C32 | C33 | H19 | 38.1° | 87.0° |
| H17 | C32 | C33 | H20 | 80.0° | 31.3° |
| H18 | C32 | C33 | H19 | 157.2° | 32.4° |
| H18 | C32 | C33 | H20 | 39.1° | 150.6° |
| H21 | C34 | C35 | H29 | 151.0° | 83.3° |
| H21 | C34 | C35 | H30 | 91.3° | 156.7° |
| H22 | C34 | C35 | H29 | 32.7° | 157.7° |
| H22 | C34 | C35 | H30 | 150.3° | 37.8° |
| H23 | C04 | C05 | H25 | 44.9° | 21.7° |
| H24 | C04 | C05 | H25 | 74.8° | 139.4° |
| H25 | C05 | C06 | H26 | 64.1° | 178.9° |
| H25 | C05 | C06 | H27 | 55.9° | 61.1° |
| H25 | C05 | C06 | H28 | 175.9° | 58.9° |
| H25 | C05 | N07 | H36 | 28.6° | 91.4° |
| H26 | C06 | H27 | H28 | 119.9° | 120.0° |
| H29 | C35 | C36 | H31 | 77.1° | 68.0° |
| H29 | C35 | C36 | H32 | 41.1° | 52.0° |
| H30 | C35 | C36 | H31 | 40.6° | 172.1° |
| H30 | C35 | C36 | H32 | 158.7° | 67.9° |
| H31 | C36 | C37 | H33 | 56.0° | 99.9° |
| H32 | C36 | C37 | H33 | 174.2° | 140.1° |
| H33 | C37 | C38 | H34 | 179.5° | 179.7° |
