7TB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C10 | sing | 1.53Å | 1.56Å | |
| C11 | N06 | sing | 1.47Å | 1.47Å | |
| C10 | N06 | sing | 1.47Å | 1.49Å | |
| N06 | C08 | sing | 1.47Å | 1.50Å | |
| N06 | C09 | sing | 1.47Å | 1.47Å | |
| C08 | C12 | sing | 1.53Å | 1.58Å | |
| C09 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | O02 | sing | 1.45Å | 1.43Å | |
| O02 | C18 | sing | 1.35Å | 1.42Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | C19 | sing | 1.53Å | 1.56Å | |
| C17 | C15 | sing | 1.53Å | 1.54Å | |
| C17 | C20 | sing | 1.53Å | 1.56Å | |
| C18 | O04 | doub | 1.22Å | 1.18Å | |
| C18 | C22 | sing | 1.47Å | 1.55Å | |
| C21 | C24 | sing | 1.53Å | 1.56Å | |
| C21 | C19 | sing | 1.53Å | 1.56Å | |
| C26 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C23 | sing | 1.53Å | 1.54Å | |
| C30 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | O03 | sing | 1.43Å | 1.43Å | |
| O03 | C27 | sing | 1.36Å | 1.41Å | |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | N07 | sing | 1.39Å | 1.48Å | |
| C25 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| O05 | C32 | doub | 1.22Å | 1.18Å | |
| N07 | C32 | sing | 1.35Å | 1.49Å | |
| C32 | C31 | sing | 1.48Å | 1.56Å | |
| C27 | C31 | doub | 1.40Å | 1.42Å | Aromatic |
| C27 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C34 | sing | 1.40Å | 1.37Å | Aromatic |
| C33 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C33 | H39 | sing | 1.08Å | 1.08Å | |
| C34 | H40 | sing | 1.08Å | 1.08Å | |
| C35 | H41 | sing | 1.08Å | 1.08Å | |
| C36 | H42 | sing | 1.08Å | 1.08Å | |
| N07 | H43 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C10 | N06 | 110.9° | 109.4° |
| C14 | C10 | H1 | 109.1° | 109.5° |
| C14 | C10 | H2 | 109.1° | 109.5° |
| C10 | C14 | H25 | 109.5° | 109.5° |
| C10 | C14 | H26 | 109.5° | 109.5° |
| C10 | C14 | H27 | 109.5° | 109.4° |
| C11 | N06 | C10 | 110.3° | 109.5° |
| C11 | N06 | C08 | 108.6° | 109.5° |
| C11 | N06 | C09 | 109.1° | 109.5° |
| N06 | C11 | H20 | 109.5° | 109.5° |
| N06 | C11 | H21 | 109.5° | 109.5° |
| N06 | C11 | H22 | 109.5° | 109.4° |
| C10 | N06 | C08 | 110.3° | 109.5° |
| C10 | N06 | C09 | 108.6° | 109.5° |
| N06 | C10 | H1 | 109.1° | 109.4° |
| N06 | C10 | H2 | 109.1° | 109.4° |
| C08 | N06 | C09 | 109.9° | 109.5° |
| N06 | C08 | C12 | 110.1° | 109.5° |
| N06 | C08 | H16 | 109.3° | 109.5° |
| N06 | C08 | H17 | 109.3° | 109.5° |
| N06 | C09 | C13 | 110.1° | 109.5° |
| N06 | C09 | H18 | 109.3° | 109.4° |
| N06 | C09 | H19 | 109.3° | 109.4° |
| C08 | C12 | O02 | 110.1° | 109.5° |
| C12 | C08 | H16 | 109.3° | 109.4° |
| C12 | C08 | H17 | 109.3° | 109.5° |
| C08 | C12 | H23 | 109.3° | 109.5° |
| C08 | C12 | H24 | 109.3° | 109.5° |
| C09 | C13 | H3 | 109.5° | 109.4° |
| C09 | C13 | H4 | 109.5° | 109.5° |
| C09 | C13 | H5 | 109.4° | 109.4° |
| C13 | C09 | H18 | 109.3° | 109.5° |
| C13 | C09 | H19 | 109.3° | 109.5° |
| C12 | O02 | C18 | 112.4° | 117.0° |
| O02 | C12 | H23 | 109.3° | 109.5° |
| O02 | C12 | H24 | 109.3° | 109.5° |
| O02 | C18 | O04 | 120.2° | 120.0° |
| O02 | C18 | C22 | 119.6° | 120.0° |
| C15 | C16 | C19 | 109.5° | 109.5° |
| C16 | C15 | C17 | 108.9° | 109.5° |
| C16 | C15 | H6 | 109.6° | 109.5° |
| C16 | C15 | H7 | 109.6° | 109.5° |
| C15 | C16 | H28 | 109.5° | 109.5° |
| C15 | C16 | H29 | 109.5° | 109.4° |
| C16 | C19 | C21 | 109.4° | 109.5° |
| C19 | C16 | H28 | 109.5° | 109.5° |
| C19 | C16 | H29 | 109.5° | 109.5° |
| C16 | C19 | H32 | 109.5° | 109.5° |
| C16 | C19 | H33 | 109.5° | 109.5° |
| C15 | C17 | C20 | 109.6° | 109.5° |
| C17 | C15 | H6 | 109.6° | 109.4° |
| C17 | C15 | H7 | 109.6° | 109.5° |
| C15 | C17 | H30 | 109.4° | 109.5° |
| C15 | C17 | H31 | 109.4° | 109.5° |
| C17 | C20 | C23 | 108.7° | 109.5° |
| C17 | C20 | H8 | 109.7° | 109.5° |
| C17 | C20 | H9 | 109.7° | 109.5° |
| C20 | C17 | H30 | 109.5° | 109.5° |
| C20 | C17 | H31 | 109.5° | 109.5° |
| O04 | C18 | C22 | 120.2° | 120.0° |
| C18 | C22 | C26 | 119.4° | 120.0° |
| C18 | C22 | C25 | 120.4° | 120.1° |
| C24 | C21 | C19 | 109.7° | 109.5° |
| C24 | C21 | H10 | 109.4° | 109.5° |
| C24 | C21 | H11 | 109.4° | 109.4° |
| C21 | C24 | H12 | 109.5° | 109.5° |
| C21 | C24 | H13 | 109.5° | 109.4° |
| C21 | C24 | H14 | 109.5° | 109.5° |
| C19 | C21 | H10 | 109.4° | 109.5° |
| C19 | C21 | H11 | 109.4° | 109.5° |
| C21 | C19 | H32 | 109.5° | 109.5° |
| C21 | C19 | H33 | 109.5° | 109.4° |
| C30 | C26 | C22 | 119.6° | 119.9° |
| C26 | C30 | C28 | 120.2° | 120.1° |
| C30 | C26 | H15 | 120.2° | 120.1° |
| C26 | C30 | H38 | 119.9° | 119.9° |
| C26 | C22 | C25 | 120.2° | 119.9° |
| C22 | C26 | H15 | 120.2° | 120.1° |
| C20 | C23 | O03 | 111.7° | 109.5° |
| C23 | C20 | H8 | 109.7° | 109.5° |
| C23 | C20 | H9 | 109.7° | 109.4° |
| C20 | C23 | H34 | 108.9° | 109.5° |
| C20 | C23 | H35 | 108.9° | 109.4° |
| C30 | C28 | C29 | 120.2° | 120.1° |
| C30 | C28 | N07 | 119.1° | 119.9° |
| C28 | C30 | H38 | 119.9° | 120.0° |
| C22 | C25 | C29 | 120.2° | 119.9° |
| C22 | C25 | H36 | 119.9° | 120.1° |
| C23 | O03 | C27 | 114.0° | 117.0° |
| O03 | C23 | H34 | 108.9° | 109.5° |
| O03 | C23 | H35 | 108.9° | 109.5° |
| O03 | C27 | C31 | 122.0° | 120.2° |
| O03 | C27 | C33 | 118.7° | 120.1° |
| C29 | C28 | N07 | 120.7° | 120.0° |
| C28 | C29 | C25 | 119.6° | 120.1° |
| C28 | C29 | H37 | 120.2° | 120.0° |
| C28 | N07 | C32 | 123.6° | 120.0° |
| C28 | N07 | H43 | 118.2° | 120.1° |
| C29 | C25 | H36 | 119.9° | 120.0° |
| C25 | C29 | H37 | 120.2° | 119.9° |
| O05 | C32 | N07 | 122.0° | 119.9° |
| O05 | C32 | C31 | 121.6° | 120.0° |
| N07 | C32 | C31 | 116.4° | 120.0° |
| C32 | N07 | H43 | 118.2° | 119.9° |
| C32 | C31 | C27 | 122.1° | 120.2° |
| C32 | C31 | C34 | 117.6° | 120.2° |
| C31 | C27 | C33 | 119.4° | 119.7° |
| C27 | C31 | C34 | 120.3° | 119.6° |
| C27 | C33 | C35 | 120.2° | 120.1° |
| C27 | C33 | H39 | 119.9° | 120.0° |
| C31 | C34 | C36 | 119.9° | 119.9° |
| C31 | C34 | H40 | 120.0° | 120.1° |
| C33 | C35 | C36 | 120.2° | 120.4° |
| C35 | C33 | H39 | 119.9° | 120.0° |
| C33 | C35 | H41 | 119.9° | 119.8° |
| C34 | C36 | C35 | 120.0° | 120.3° |
| C36 | C34 | H40 | 120.0° | 120.0° |
| C34 | C36 | H42 | 120.0° | 119.9° |
| C36 | C35 | H41 | 119.9° | 119.8° |
| C35 | C36 | H42 | 120.0° | 119.9° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.4° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H12 | C24 | H14 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.4° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H18 | C09 | H19 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.4° | 109.5° |
| H20 | C11 | H22 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| H25 | C14 | H27 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.5° | 109.4° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| H30 | C17 | H31 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.4° | 109.4° |
| H34 | C23 | H35 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C10 | N06 | C11 | 53.5° | 175.0° |
| C14 | C10 | N06 | H1 | 120.2° | 120.0° |
| C14 | C10 | N06 | H2 | 120.2° | 120.0° |
| C14 | C10 | N06 | C08 | 66.5° | 65.0° |
| C14 | C10 | N06 | C09 | 173.0° | 55.0° |
| C14 | C10 | H1 | H2 | 119.4° | 120.1° |
| C10 | C14 | H25 | H26 | 120.0° | 120.1° |
| C10 | C14 | H25 | H27 | 120.0° | 120.0° |
| C10 | C14 | H26 | H27 | 120.0° | 120.0° |
| C11 | N06 | C10 | C08 | 119.9° | 120.0° |
| C11 | N06 | C10 | C09 | 119.5° | 120.0° |
| C11 | N06 | C08 | C09 | 119.3° | 120.0° |
| C11 | N06 | C08 | C12 | 172.8° | 64.8° |
| C11 | N06 | C09 | C13 | 62.7° | 60.0° |
| C11 | N06 | C10 | H1 | 173.7° | 55.0° |
| C11 | N06 | C10 | H2 | 66.8° | 65.0° |
| C11 | N06 | C08 | H16 | 67.1° | 175.2° |
| C11 | N06 | C08 | H17 | 52.7° | 55.2° |
| C11 | N06 | C09 | H18 | 177.2° | 180.0° |
| C11 | N06 | C09 | H19 | 57.4° | 60.0° |
| N06 | C11 | H20 | H21 | 120.0° | 120.0° |
| N06 | C11 | H20 | H22 | 120.0° | 120.0° |
| N06 | C11 | H21 | H22 | 120.0° | 119.9° |
| C10 | N06 | C08 | C09 | 119.8° | 120.0° |
| C10 | N06 | C08 | C12 | 51.8° | 175.2° |
| C10 | N06 | C09 | C13 | 177.0° | 60.0° |
| N06 | C10 | H1 | H2 | 119.3° | 119.9° |
| C10 | N06 | C08 | H16 | 171.9° | 55.2° |
| C10 | N06 | C08 | H17 | 68.2° | 64.8° |
| C10 | N06 | C09 | H18 | 56.9° | 60.0° |
| C10 | N06 | C09 | H19 | 62.9° | 180.0° |
| C10 | N06 | C11 | H20 | 180.0° | 67.9° |
| C10 | N06 | C11 | H21 | 60.0° | 172.1° |
| C10 | N06 | C11 | H22 | 60.0° | 52.1° |
| N06 | C10 | C14 | H25 | 180.0° | 60.0° |
| N06 | C10 | C14 | H26 | 60.0° | 60.0° |
| N06 | C10 | C14 | H27 | 60.0° | 180.0° |
| N06 | C08 | C12 | H16 | 120.1° | 120.0° |
| N06 | C08 | C12 | H17 | 120.1° | 120.0° |
| C08 | N06 | C09 | C13 | 56.2° | 180.0° |
| N06 | C08 | C12 | O02 | 168.3° | 66.7° |
| C08 | N06 | C10 | H1 | 53.7° | 175.0° |
| C08 | N06 | C10 | H2 | 173.3° | 55.0° |
| N06 | C08 | H16 | H17 | 119.7° | 120.0° |
| C08 | N06 | C09 | H18 | 63.8° | 60.0° |
| C08 | N06 | C09 | H19 | 176.3° | 60.0° |
| C08 | N06 | C11 | H20 | 59.0° | 52.1° |
| C08 | N06 | C11 | H21 | 179.0° | 67.9° |
| C08 | N06 | C11 | H22 | 61.0° | 172.1° |
| N06 | C08 | C12 | H23 | 71.6° | 173.3° |
| N06 | C08 | C12 | H24 | 48.2° | 53.3° |
| C09 | N06 | C08 | C12 | 67.9° | 55.2° |
| N06 | C09 | C13 | H18 | 120.1° | 120.0° |
| N06 | C09 | C13 | H19 | 120.1° | 120.0° |
| C09 | N06 | C10 | H1 | 66.8° | 65.0° |
| C09 | N06 | C10 | H2 | 52.7° | 175.0° |
| N06 | C09 | C13 | H3 | 180.0° | 60.0° |
| N06 | C09 | C13 | H4 | 60.0° | 180.0° |
| N06 | C09 | C13 | H5 | 60.0° | 60.0° |
| C09 | N06 | C08 | H16 | 52.2° | 64.8° |
| C09 | N06 | C08 | H17 | 172.0° | 175.2° |
| N06 | C09 | H18 | H19 | 119.7° | 119.9° |
| C09 | N06 | C11 | H20 | 60.7° | 172.1° |
| C09 | N06 | C11 | H21 | 59.2° | 52.1° |
| C09 | N06 | C11 | H22 | 179.2° | 67.9° |
| C08 | C12 | O02 | H23 | 120.1° | 120.0° |
| C08 | C12 | O02 | H24 | 120.1° | 120.0° |
| C08 | C12 | O02 | C18 | 125.0° | 180.0° |
| C12 | C08 | H16 | H17 | 119.7° | 120.0° |
| C08 | C12 | H23 | H24 | 119.7° | 120.0° |
| C09 | C13 | H3 | H4 | 120.0° | 120.0° |
| C09 | C13 | H3 | H5 | 120.0° | 119.9° |
| C09 | C13 | H4 | H5 | 119.9° | 119.9° |
| C13 | C09 | H18 | H19 | 119.7° | 120.1° |
| C12 | O02 | C18 | O04 | 70.4° | 0.0° |
| C12 | O02 | C18 | C22 | 109.9° | 180.0° |
| O02 | C12 | C08 | H16 | 48.2° | 173.3° |
| O02 | C12 | C08 | H17 | 71.6° | 53.3° |
| O02 | C12 | H23 | H24 | 119.7° | 120.0° |
| O02 | C18 | O04 | C22 | 179.7° | 180.0° |
| O02 | C18 | C22 | C26 | 8.6° | 0.2° |
| O02 | C18 | C22 | C25 | 171.2° | 180.0° |
| C18 | O02 | C12 | H23 | 114.9° | 60.0° |
| C18 | O02 | C12 | H24 | 4.9° | 60.0° |
| C15 | C16 | C19 | H28 | 120.0° | 120.0° |
| C15 | C16 | C19 | H29 | 120.0° | 120.0° |
| C16 | C15 | C17 | H6 | 119.9° | 120.0° |
| C16 | C15 | C17 | H7 | 119.9° | 120.1° |
| C16 | C15 | C17 | C20 | 179.3° | 180.0° |
| C15 | C16 | C19 | C21 | 170.9° | 180.0° |
| C16 | C15 | H6 | H7 | 120.3° | 120.1° |
| C15 | C16 | H28 | H29 | 120.0° | 120.0° |
| C16 | C15 | C17 | H30 | 59.3° | 60.0° |
| C16 | C15 | C17 | H31 | 60.7° | 60.0° |
| C15 | C16 | C19 | H32 | 50.9° | 60.0° |
| C15 | C16 | C19 | H33 | 69.1° | 60.0° |
| C19 | C16 | C15 | C17 | 105.8° | 180.0° |
| C16 | C19 | C21 | C24 | 157.6° | 180.0° |
| C16 | C19 | C21 | H32 | 120.0° | 120.0° |
| C16 | C19 | C21 | H33 | 120.0° | 120.0° |
| C19 | C16 | C15 | H6 | 14.1° | 60.0° |
| C19 | C16 | C15 | H7 | 134.3° | 60.0° |
| C16 | C19 | C21 | H10 | 82.4° | 60.0° |
| C16 | C19 | C21 | H11 | 37.5° | 60.0° |
| C19 | C16 | H28 | H29 | 120.0° | 120.0° |
| C16 | C19 | H32 | H33 | 120.0° | 120.0° |
| C15 | C17 | C20 | H30 | 120.0° | 120.0° |
| C15 | C17 | C20 | H31 | 120.0° | 120.0° |
| C15 | C17 | C20 | C23 | 109.9° | 180.0° |
| C17 | C15 | H6 | H7 | 120.3° | 120.0° |
| C15 | C17 | C20 | H8 | 10.0° | 60.0° |
| C15 | C17 | C20 | H9 | 130.3° | 60.0° |
| C17 | C15 | C16 | H28 | 14.2° | 60.0° |
| C17 | C15 | C16 | H29 | 134.2° | 60.0° |
| C15 | C17 | H30 | H31 | 119.9° | 120.0° |
| C17 | C20 | C23 | H8 | 119.9° | 120.1° |
| C17 | C20 | C23 | H9 | 119.9° | 120.0° |
| C17 | C20 | C23 | O03 | 159.1° | 180.0° |
| C20 | C17 | C15 | H6 | 60.8° | 60.0° |
| C20 | C17 | C15 | H7 | 59.4° | 60.0° |
| C17 | C20 | H8 | H9 | 120.3° | 120.0° |
| C20 | C17 | H30 | H31 | 120.0° | 120.0° |
| C17 | C20 | C23 | H34 | 38.7° | 59.9° |
| C17 | C20 | C23 | H35 | 80.6° | 60.0° |
| O04 | C18 | C22 | C26 | 171.7° | 179.8° |
| O04 | C18 | C22 | C25 | 8.5° | 0.0° |
| C18 | C22 | C26 | C30 | 179.8° | 179.7° |
| C18 | C22 | C26 | C25 | 179.8° | 179.8° |
| C18 | C22 | C25 | C29 | 179.8° | 179.7° |
| C18 | C22 | C26 | H15 | 0.2° | 0.2° |
| C18 | C22 | C25 | H36 | 0.2° | 0.3° |
| C24 | C21 | C19 | H10 | 120.1° | 120.1° |
| C24 | C21 | C19 | H11 | 120.0° | 120.0° |
| C24 | C21 | H10 | H11 | 119.9° | 120.0° |
| C21 | C24 | H12 | H13 | 120.0° | 120.0° |
| C21 | C24 | H12 | H14 | 120.0° | 120.1° |
| C21 | C24 | H13 | H14 | 120.0° | 120.0° |
| C24 | C21 | C19 | H32 | 82.4° | 59.9° |
| C24 | C21 | C19 | H33 | 37.6° | 60.0° |
| C19 | C21 | H10 | H11 | 119.9° | 120.0° |
| C19 | C21 | C24 | H12 | 180.0° | 180.0° |
| C19 | C21 | C24 | H13 | 60.0° | 60.0° |
| C19 | C21 | C24 | H14 | 60.0° | 59.9° |
| C21 | C19 | C16 | H28 | 69.1° | 60.0° |
| C21 | C19 | C16 | H29 | 50.9° | 60.0° |
| C21 | C19 | H32 | H33 | 120.0° | 119.9° |
| C30 | C26 | C22 | H15 | 180.0° | 180.0° |
| C26 | C30 | C28 | H38 | 180.0° | 180.0° |
| C30 | C26 | C22 | C25 | 0.1° | 0.1° |
| C26 | C30 | C28 | C29 | 0.7° | 0.0° |
| C26 | C30 | C28 | N07 | 179.4° | 180.0° |
| C22 | C26 | C30 | C28 | 0.4° | 0.0° |
| C26 | C22 | C25 | C29 | 0.0° | 0.0° |
| C26 | C22 | C25 | H36 | 180.0° | 180.0° |
| C22 | C26 | C30 | H38 | 179.6° | 180.0° |
| C20 | C23 | O03 | H34 | 120.4° | 120.0° |
| C20 | C23 | O03 | H35 | 120.3° | 120.0° |
| C20 | C23 | O03 | C27 | 108.0° | 179.9° |
| C23 | C20 | H8 | H9 | 120.4° | 120.0° |
| C23 | C20 | C17 | H30 | 130.1° | 60.0° |
| C23 | C20 | C17 | H31 | 10.2° | 60.1° |
| C20 | C23 | H34 | H35 | 119.0° | 120.0° |
| C30 | C28 | C29 | N07 | 178.6° | 179.9° |
| C30 | C28 | C29 | C25 | 0.7° | 0.0° |
| C30 | C28 | N07 | C32 | 73.2° | 145.7° |
| C28 | C30 | C26 | H15 | 179.6° | 180.0° |
| C30 | C28 | C29 | H37 | 179.3° | 180.0° |
| C30 | C28 | N07 | H43 | 106.8° | 34.3° |
| C22 | C25 | C29 | C28 | 0.4° | 0.0° |
| C22 | C25 | C29 | H36 | 180.0° | 180.0° |
| C25 | C22 | C26 | H15 | 180.0° | 180.0° |
| C22 | C25 | C29 | H37 | 179.6° | 180.0° |
| C23 | O03 | C27 | C31 | 161.4° | 180.0° |
| C23 | O03 | C27 | C33 | 19.3° | 0.3° |
| O03 | C23 | C20 | H8 | 81.0° | 60.0° |
| O03 | C23 | C20 | H9 | 39.2° | 60.0° |
| O03 | C23 | H34 | H35 | 119.0° | 120.0° |
| O03 | C27 | C31 | C32 | 0.2° | 0.3° |
| O03 | C27 | C31 | C33 | 179.3° | 179.6° |
| O03 | C27 | C31 | C34 | 179.1° | 179.7° |
| O03 | C27 | C33 | C35 | 179.2° | 179.7° |
| C27 | O03 | C23 | H34 | 131.7° | 60.0° |
| C27 | O03 | C23 | H35 | 12.4° | 60.0° |
| O03 | C27 | C33 | H39 | 0.8° | 0.4° |
| C28 | C29 | C25 | H37 | 180.0° | 180.0° |
| C29 | C28 | N07 | C32 | 108.2° | 34.3° |
| C28 | C29 | C25 | H36 | 179.7° | 180.0° |
| C29 | C28 | C30 | H38 | 179.3° | 180.0° |
| C29 | C28 | N07 | H43 | 71.8° | 145.7° |
| N07 | C28 | C29 | C25 | 179.3° | 180.0° |
| C28 | N07 | C32 | O05 | 0.5° | 5.1° |
| C28 | N07 | C32 | H43 | 180.0° | 180.0° |
| C28 | N07 | C32 | C31 | 179.0° | 174.9° |
| N07 | C28 | C29 | H37 | 0.7° | 0.1° |
| N07 | C28 | C30 | H38 | 0.7° | 0.1° |
| O05 | C32 | N07 | C31 | 179.6° | 180.0° |
| O05 | C32 | C31 | C27 | 51.2° | 0.0° |
| O05 | C32 | C31 | C34 | 129.9° | 180.0° |
| O05 | C32 | N07 | H43 | 179.5° | 174.9° |
| N07 | C32 | C31 | C27 | 128.4° | 180.0° |
| N07 | C32 | C31 | C34 | 50.5° | 0.0° |
| C32 | C31 | C27 | C34 | 178.9° | 180.0° |
| C32 | C31 | C27 | C33 | 179.0° | 180.0° |
| C32 | C31 | C34 | C36 | 179.4° | 180.0° |
| C32 | C31 | C34 | H40 | 0.6° | 0.1° |
| C31 | C32 | N07 | H43 | 1.0° | 5.1° |
| C31 | C27 | C33 | C35 | 0.1° | 0.1° |
| C27 | C31 | C34 | C36 | 0.4° | 0.0° |
| C31 | C27 | C33 | H39 | 179.9° | 180.0° |
| C27 | C31 | C34 | H40 | 179.6° | 179.9° |
| C33 | C27 | C31 | C34 | 0.1° | 0.0° |
| C27 | C33 | C35 | H39 | 180.0° | 179.9° |
| C27 | C33 | C35 | C36 | 0.3° | 0.1° |
| C27 | C33 | C35 | H41 | 179.7° | 180.0° |
| C31 | C34 | C36 | H40 | 180.0° | 179.9° |
| C31 | C34 | C36 | C35 | 0.6° | 0.0° |
| C31 | C34 | C36 | H42 | 179.3° | 180.0° |
| C33 | C35 | C36 | C34 | 0.6° | 0.0° |
| C33 | C35 | C36 | H41 | 180.0° | 180.0° |
| C33 | C35 | C36 | H42 | 179.4° | 180.0° |
| C34 | C36 | C35 | H42 | 180.0° | 180.0° |
| C34 | C36 | C35 | H41 | 179.4° | 180.0° |
| C36 | C35 | C33 | H39 | 179.7° | 180.0° |
| C35 | C36 | C34 | H40 | 179.4° | 179.9° |
| H1 | C10 | C14 | H25 | 59.8° | 59.9° |
| H1 | C10 | C14 | H26 | 60.2° | NaN° |
| H1 | C10 | C14 | H27 | 179.8° | 60.0° |
| H2 | C10 | C14 | H25 | 59.8° | 180.0° |
| H2 | C10 | C14 | H26 | 179.8° | 59.9° |
| H2 | C10 | C14 | H27 | 60.2° | 60.0° |
| H3 | C13 | H4 | H5 | 120.0° | 120.1° |
| H3 | C13 | C09 | H18 | 59.9° | 180.0° |
| H3 | C13 | C09 | H19 | 59.9° | 60.0° |
| H4 | C13 | C09 | H18 | 179.9° | 60.0° |
| H4 | C13 | C09 | H19 | 60.1° | 60.1° |
| H5 | C13 | C09 | H18 | 60.1° | 60.0° |
| H5 | C13 | C09 | H19 | 179.9° | 180.0° |
| H6 | C15 | C16 | H28 | 134.1° | 60.0° |
| H6 | C15 | C16 | H29 | 105.9° | 180.0° |
| H6 | C15 | C17 | H30 | 179.2° | 180.0° |
| H6 | C15 | C17 | H31 | 59.2° | 60.0° |
| H7 | C15 | C16 | H28 | 105.7° | 180.0° |
| H7 | C15 | C16 | H29 | 14.3° | 60.0° |
| H7 | C15 | C17 | H30 | 60.6° | 60.0° |
| H7 | C15 | C17 | H31 | 179.4° | 180.0° |
| H8 | C20 | C17 | H30 | 110.0° | 180.0° |
| H8 | C20 | C17 | H31 | 130.0° | 60.0° |
| H8 | C20 | C23 | H34 | 158.6° | 180.0° |
| H8 | C20 | C23 | H35 | 39.3° | 60.0° |
| H9 | C20 | C17 | H30 | 10.3° | 60.0° |
| H9 | C20 | C17 | H31 | 109.7° | 180.0° |
| H9 | C20 | C23 | H34 | 81.2° | 60.0° |
| H9 | C20 | C23 | H35 | 159.5° | NaN° |
| H10 | C21 | C24 | H12 | 59.9° | 60.0° |
| H10 | C21 | C24 | H13 | 60.1° | 60.0° |
| H10 | C21 | C24 | H14 | 180.0° | 180.0° |
| H10 | C21 | C19 | H32 | 37.6° | 180.0° |
| H10 | C21 | C19 | H33 | 157.6° | 60.1° |
| H11 | C21 | C24 | H12 | 60.0° | 60.0° |
| H11 | C21 | C24 | H13 | 180.0° | 180.0° |
| H11 | C21 | C24 | H14 | 60.0° | 60.1° |
| H11 | C21 | C19 | H32 | 157.5° | 60.0° |
| H11 | C21 | C19 | H33 | 82.5° | 180.0° |
| H12 | C24 | H13 | H14 | 120.0° | 120.0° |
| H15 | C26 | C30 | H38 | 0.4° | 0.0° |
| H16 | C08 | C12 | H23 | 168.3° | 53.3° |
| H16 | C08 | C12 | H24 | 71.9° | 66.7° |
| H17 | C08 | C12 | H23 | 48.5° | 66.7° |
| H17 | C08 | C12 | H24 | 168.3° | 173.3° |
| H20 | C11 | H21 | H22 | 120.0° | 120.1° |
| H25 | C14 | H26 | H27 | 120.0° | 120.0° |
| H28 | C16 | C19 | H32 | 170.9° | 60.0° |
| H28 | C16 | C19 | H33 | 50.9° | 180.0° |
| H29 | C16 | C19 | H32 | 69.1° | 180.0° |
| H29 | C16 | C19 | H33 | 170.9° | 60.0° |
| H36 | C25 | C29 | H37 | 0.3° | 0.0° |
| H39 | C33 | C35 | H41 | 0.3° | 0.0° |
| H40 | C34 | C36 | H42 | 0.6° | 0.1° |
| H41 | C35 | C36 | H42 | 0.6° | 0.0° |
