SJP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | sing | 1.53Å | 1.58Å | |
| C20 | C21 | sing | 1.53Å | 1.43Å | |
| C19 | N23 | sing | 1.47Å | 1.39Å | |
| C19 | C18 | sing | 1.53Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.46Å | |
| C18 | O18 | sing | 1.43Å | 1.38Å | |
| C18 | O22 | sing | 1.43Å | 1.55Å | |
| C22 | O22 | sing | 1.43Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.58Å | |
| O18 | C15 | sing | 1.43Å | 1.52Å | |
| O14 | C14 | sing | 1.43Å | 1.39Å | |
| C23 | N19 | sing | 1.47Å | 1.51Å | |
| C15 | C14 | sing | 1.55Å | 1.49Å | |
| C15 | C16 | sing | 1.54Å | 1.56Å | |
| C14 | C13 | sing | 1.54Å | 1.56Å | |
| F99 | C24 | sing | 1.40Å | 1.44Å | |
| N3 | C27 | sing | 1.47Å | 1.42Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C16 | O16 | sing | 1.44Å | 1.44Å | |
| C13 | O16 | sing | 1.44Å | 1.45Å | |
| C13 | O11 | sing | 1.43Å | 1.29Å | |
| O12 | C12 | sing | 1.43Å | 1.37Å | |
| C27 | C24 | sing | 1.53Å | 1.37Å | |
| C17 | O17 | sing | 1.43Å | 1.43Å | |
| C24 | C28 | sing | 1.53Å | 1.35Å | |
| O19 | C28 | sing | 1.43Å | 1.46Å | |
| O11 | C11 | sing | 1.43Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.61Å | |
| C12 | C7 | sing | 1.53Å | 1.58Å | |
| C28 | C26 | sing | 1.51Å | 1.62Å | |
| N7 | C26 | sing | 1.35Å | 1.46Å | |
| N7 | C7 | sing | 1.46Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C26 | O2 | doub | 1.21Å | 1.24Å | |
| C7 | C8 | sing | 1.53Å | 1.61Å | |
| C10 | O1 | sing | 1.43Å | 1.42Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | O5 | sing | 1.43Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| N2 | C2 | sing | 1.47Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.57Å | |
| O5 | C5 | sing | 1.43Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C9 | N9 | sing | 1.47Å | 1.48Å | |
| N6 | C6 | sing | 1.47Å | 1.41Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.59Å | |
| C3 | C4 | sing | 1.53Å | 1.60Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.09Å | 1.10Å | |
| C6 | H31 | sing | 1.09Å | 1.10Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| N19 | H36 | sing | 1.01Å | 1.00Å | |
| N19 | H37 | sing | 1.01Å | 1.00Å | |
| N2 | H39 | sing | 1.01Å | 1.00Å | |
| N2 | H40 | sing | 1.01Å | 1.00Å | |
| N23 | H42 | sing | 1.01Å | 1.00Å | |
| N23 | H43 | sing | 1.01Å | 1.00Å | |
| N3 | H45 | sing | 1.01Å | 1.00Å | |
| N3 | H46 | sing | 1.01Å | 1.00Å | |
| N6 | H48 | sing | 1.01Å | 1.00Å | |
| N6 | H49 | sing | 1.01Å | 1.00Å | |
| N7 | H51 | sing | 0.97Å | 1.00Å | |
| N9 | H52 | sing | 1.01Å | 1.00Å | |
| N9 | H53 | sing | 1.01Å | 1.00Å | |
| O12 | H55 | sing | 0.97Å | 0.95Å | |
| O14 | H56 | sing | 0.97Å | 0.95Å | |
| O17 | H57 | sing | 0.97Å | 0.95Å | |
| O19 | H58 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 114.4° | 109.0° |
| C20 | C19 | N23 | 105.8° | 109.5° |
| C20 | C19 | C18 | 108.6° | 109.2° |
| C20 | C19 | H12 | 108.4° | 109.6° |
| C19 | C20 | H14 | 108.2° | 109.5° |
| C19 | C20 | H15 | 108.3° | 109.6° |
| C20 | C21 | C22 | 108.2° | 109.2° |
| C21 | C20 | H14 | 108.2° | 109.5° |
| C21 | C20 | H15 | 108.2° | 109.5° |
| C20 | C21 | H16 | 109.8° | 109.6° |
| C20 | C21 | H17 | 109.8° | 109.5° |
| N23 | C19 | C18 | 113.4° | 109.5° |
| N23 | C19 | H12 | 110.9° | 109.6° |
| C19 | N23 | H42 | 109.5° | 111.0° |
| C19 | N23 | H43 | 109.5° | 111.0° |
| C19 | C18 | O18 | 113.9° | 109.5° |
| C19 | C18 | O22 | 106.4° | 109.4° |
| C19 | C18 | H11 | 107.5° | 109.5° |
| C18 | C19 | H12 | 109.6° | 109.5° |
| C21 | C22 | O22 | 110.2° | 109.4° |
| C21 | C22 | C23 | 111.2° | 109.4° |
| C22 | C21 | H16 | 109.8° | 109.5° |
| C22 | C21 | H17 | 109.8° | 109.5° |
| C21 | C22 | H18 | 109.1° | 109.5° |
| O18 | C18 | O22 | 113.2° | 109.5° |
| C18 | O18 | C15 | 117.0° | 114.1° |
| O18 | C18 | H11 | 108.8° | 109.5° |
| C18 | O22 | C22 | 116.0° | 114.1° |
| O22 | C18 | H11 | 106.7° | 109.4° |
| O22 | C22 | C23 | 110.4° | 109.5° |
| O22 | C22 | H18 | 108.4° | 109.5° |
| C22 | C23 | N19 | 114.1° | 109.5° |
| C23 | C22 | H18 | 107.5° | 109.5° |
| C22 | C23 | H19 | 108.3° | 109.5° |
| C22 | C23 | H20 | 108.3° | 109.5° |
| O18 | C15 | C14 | 108.3° | 110.5° |
| O18 | C15 | C16 | 112.4° | 110.5° |
| O18 | C15 | H7 | 110.6° | 110.6° |
| O14 | C14 | C15 | 113.4° | 110.6° |
| O14 | C14 | C13 | 108.8° | 110.5° |
| O14 | C14 | H6 | 113.4° | 110.4° |
| C14 | O14 | H56 | 109.5° | 114.0° |
| N19 | C23 | H19 | 108.3° | 109.4° |
| N19 | C23 | H20 | 108.3° | 109.4° |
| C23 | N19 | H36 | 109.5° | 111.0° |
| C23 | N19 | H37 | 109.5° | 111.0° |
| C14 | C15 | C16 | 104.2° | 104.0° |
| C15 | C14 | C13 | 97.7° | 104.1° |
| C15 | C14 | H6 | 111.8° | 110.5° |
| C14 | C15 | H7 | 111.1° | 110.5° |
| C15 | C16 | C17 | 116.8° | 110.4° |
| C15 | C16 | O16 | 97.0° | 104.8° |
| C16 | C15 | H7 | 110.0° | 110.5° |
| C15 | C16 | H8 | 107.3° | 110.4° |
| C14 | C13 | O16 | 104.4° | 104.8° |
| C14 | C13 | O11 | 112.9° | 110.4° |
| C14 | C13 | H5 | 106.6° | 110.5° |
| C13 | C14 | H6 | 110.6° | 110.5° |
| F99 | C24 | C27 | 109.6° | 109.4° |
| F99 | C24 | C28 | 112.8° | 109.5° |
| F99 | C24 | H21 | 108.3° | 109.5° |
| N3 | C27 | C24 | 131.7° | 109.5° |
| N3 | C27 | H22 | 103.6° | 109.4° |
| N3 | C27 | H23 | 103.6° | 109.5° |
| C27 | N3 | H45 | 109.5° | 111.0° |
| C27 | N3 | H46 | 109.5° | 111.0° |
| C17 | C16 | O16 | 118.6° | 110.4° |
| C16 | C17 | O17 | 106.5° | 109.5° |
| C17 | C16 | H8 | 107.3° | 110.3° |
| C16 | C17 | H9 | 110.2° | 109.5° |
| C16 | C17 | H10 | 110.2° | 109.4° |
| C16 | O16 | C13 | 112.9° | 105.3° |
| O16 | C16 | H8 | 108.9° | 110.4° |
| O16 | C13 | O11 | 114.5° | 110.4° |
| O16 | C13 | H5 | 107.9° | 110.3° |
| C13 | O11 | C11 | 128.8° | 114.0° |
| O11 | C13 | H5 | 110.1° | 110.3° |
| O12 | C12 | C11 | 107.5° | 109.5° |
| O12 | C12 | C7 | 109.0° | 109.5° |
| O12 | C12 | H4 | 113.3° | 109.4° |
| C12 | O12 | H55 | 109.5° | 114.0° |
| C27 | C24 | C28 | 107.3° | 109.5° |
| C27 | C24 | H21 | 109.2° | 109.5° |
| C24 | C27 | H22 | 103.7° | 109.4° |
| C24 | C27 | H23 | 103.7° | 109.5° |
| O17 | C17 | H9 | 110.2° | 109.5° |
| O17 | C17 | H10 | 110.2° | 109.5° |
| C17 | O17 | H57 | 109.5° | 114.0° |
| C24 | C28 | O19 | 113.5° | 109.5° |
| C24 | C28 | C26 | 105.3° | 109.5° |
| C28 | C24 | H21 | 109.6° | 109.5° |
| C24 | C28 | H24 | 111.1° | 109.5° |
| O19 | C28 | C26 | 109.9° | 109.4° |
| O19 | C28 | H24 | 109.4° | 109.5° |
| C28 | O19 | H58 | 109.5° | 114.0° |
| O11 | C11 | C12 | 111.0° | 109.5° |
| O11 | C11 | C10 | 106.2° | 109.4° |
| O11 | C11 | H3 | 111.2° | 109.5° |
| C11 | C12 | C7 | 107.1° | 109.5° |
| C12 | C11 | C10 | 108.5° | 109.5° |
| C12 | C11 | H3 | 109.5° | 109.5° |
| C11 | C12 | H4 | 109.7° | 109.5° |
| C12 | C7 | N7 | 111.2° | 109.5° |
| C12 | C7 | C8 | 106.1° | 109.5° |
| C7 | C12 | H4 | 110.1° | 109.5° |
| C12 | C7 | H32 | 110.3° | 109.4° |
| C28 | C26 | N7 | 108.4° | 120.0° |
| C28 | C26 | O2 | 125.1° | 120.0° |
| C26 | C28 | H24 | 107.5° | 109.4° |
| C26 | N7 | C7 | 116.6° | 120.0° |
| N7 | C26 | O2 | 126.4° | 120.0° |
| C26 | N7 | H51 | 121.7° | 120.0° |
| N7 | C7 | C8 | 106.9° | 109.5° |
| N7 | C7 | H32 | 112.2° | 109.5° |
| C7 | N7 | H51 | 121.7° | 120.0° |
| C11 | C10 | O1 | 111.5° | 109.5° |
| C11 | C10 | C9 | 111.7° | 109.4° |
| C11 | C10 | H2 | 108.6° | 109.5° |
| C10 | C11 | H3 | 110.3° | 109.5° |
| C7 | C8 | C9 | 110.2° | 109.5° |
| C8 | C7 | H32 | 110.0° | 109.5° |
| C7 | C8 | H33 | 109.3° | 109.4° |
| C7 | C8 | H34 | 109.3° | 109.5° |
| O1 | C10 | C9 | 105.8° | 109.5° |
| C10 | O1 | C1 | 124.9° | 114.0° |
| O1 | C10 | H2 | 110.4° | 109.5° |
| C10 | C9 | C8 | 109.8° | 109.5° |
| C10 | C9 | N9 | 108.5° | 109.5° |
| C9 | C10 | H2 | 108.9° | 109.4° |
| C10 | C9 | H35 | 109.1° | 109.5° |
| O1 | C1 | O5 | 109.4° | 109.5° |
| O1 | C1 | C2 | 111.2° | 109.4° |
| O1 | C1 | H1 | 109.1° | 109.5° |
| O5 | C1 | C2 | 111.2° | 109.4° |
| C1 | O5 | C5 | 114.2° | 114.1° |
| O5 | C1 | H1 | 108.3° | 109.5° |
| C1 | C2 | N2 | 108.7° | 109.5° |
| C1 | C2 | C3 | 111.0° | 109.2° |
| C2 | C1 | H1 | 107.6° | 109.5° |
| C1 | C2 | H13 | 108.5° | 109.5° |
| N2 | C2 | C3 | 111.4° | 109.5° |
| N2 | C2 | H13 | 109.0° | 109.6° |
| C2 | N2 | H39 | 109.5° | 111.0° |
| C2 | N2 | H40 | 109.5° | 111.0° |
| C8 | C9 | N9 | 110.8° | 109.5° |
| C9 | C8 | H33 | 109.3° | 109.4° |
| C9 | C8 | H34 | 109.3° | 109.5° |
| C8 | C9 | H35 | 108.7° | 109.4° |
| O5 | C5 | C6 | 109.0° | 109.5° |
| O5 | C5 | C4 | 109.7° | 109.4° |
| O5 | C5 | H29 | 109.3° | 109.5° |
| C2 | C3 | C4 | 108.1° | 109.0° |
| C3 | C2 | H13 | 108.1° | 109.5° |
| C2 | C3 | H25 | 109.8° | 109.6° |
| C2 | C3 | H26 | 109.8° | 109.5° |
| N9 | C9 | H35 | 109.9° | 109.4° |
| C9 | N9 | H52 | 109.5° | 111.0° |
| C9 | N9 | H53 | 109.4° | 111.0° |
| N6 | C6 | C5 | 111.3° | 109.5° |
| N6 | C6 | H30 | 109.0° | 109.5° |
| N6 | C6 | H31 | 109.0° | 109.5° |
| C6 | N6 | H48 | 109.5° | 111.0° |
| C6 | N6 | H49 | 109.5° | 111.0° |
| C6 | C5 | C4 | 111.1° | 109.5° |
| C6 | C5 | H29 | 109.2° | 109.5° |
| C5 | C6 | H30 | 109.0° | 109.4° |
| C5 | C6 | H31 | 109.0° | 109.5° |
| C5 | C4 | C3 | 107.8° | 109.1° |
| C5 | C4 | H27 | 109.9° | 109.5° |
| C5 | C4 | H28 | 109.9° | 109.6° |
| C4 | C5 | H29 | 108.5° | 109.5° |
| C4 | C3 | H25 | 109.8° | 109.6° |
| C4 | C3 | H26 | 109.8° | 109.5° |
| C3 | C4 | H27 | 109.9° | 109.5° |
| C3 | C4 | H28 | 109.9° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.7° |
| H16 | C21 | H17 | 109.5° | 109.6° |
| H19 | C23 | H20 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H25 | C3 | H26 | 109.5° | 109.6° |
| H27 | C4 | H28 | 109.4° | 109.6° |
| H30 | C6 | H31 | 109.5° | 109.5° |
| H33 | C8 | H34 | 109.5° | 109.5° |
| H36 | N19 | H37 | 109.4° | 111.0° |
| H39 | N2 | H40 | 109.4° | 111.0° |
| H42 | N23 | H43 | 109.5° | 111.0° |
| H45 | N3 | H46 | 109.5° | 111.0° |
| H48 | N6 | H49 | 109.4° | 111.0° |
| H52 | N9 | H53 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H14 | 120.7° | 119.8° |
| C19 | C20 | C21 | H15 | 120.7° | 119.9° |
| C20 | C19 | N23 | C18 | 118.9° | 119.7° |
| C20 | C19 | N23 | H12 | 117.3° | 120.2° |
| C20 | C19 | C18 | H12 | 118.2° | 120.0° |
| C19 | C20 | C21 | C22 | 61.3° | 57.0° |
| C20 | C19 | C18 | O18 | 177.7° | 177.6° |
| C20 | C19 | C18 | O22 | 52.3° | 57.6° |
| C20 | C19 | C18 | H11 | 61.7° | 62.4° |
| C19 | C20 | H14 | H15 | 117.8° | 120.3° |
| C19 | C20 | C21 | H16 | 58.5° | 62.9° |
| C19 | C20 | C21 | H17 | 178.9° | 176.9° |
| C20 | C19 | N23 | H42 | 180.0° | 60.4° |
| C20 | C19 | N23 | H43 | 60.0° | 63.6° |
| C21 | C20 | C19 | N23 | 60.5° | 62.9° |
| C21 | C20 | C19 | C18 | 61.6° | 57.0° |
| C20 | C21 | C22 | H16 | 119.8° | 119.9° |
| C20 | C21 | C22 | H17 | 119.8° | 119.9° |
| C20 | C21 | C22 | O22 | 56.3° | 57.6° |
| C20 | C21 | C22 | C23 | 179.1° | 177.6° |
| C21 | C20 | C19 | H12 | 179.5° | 176.9° |
| C21 | C20 | H14 | H15 | 117.7° | 120.2° |
| C20 | C21 | H16 | H17 | 120.6° | 120.2° |
| C20 | C21 | C22 | H18 | 62.5° | 62.4° |
| N23 | C19 | C18 | H12 | 124.5° | 120.1° |
| N23 | C19 | C18 | O18 | 60.5° | 57.7° |
| N23 | C19 | C18 | O22 | 65.0° | 62.3° |
| N23 | C19 | C18 | H11 | 178.9° | 177.7° |
| N23 | C19 | C20 | H14 | 60.2° | 56.9° |
| N23 | C19 | C20 | H15 | 178.8° | 177.3° |
| C19 | N23 | H42 | H43 | 120.0° | 124.0° |
| C19 | C18 | O18 | O22 | 121.7° | 120.0° |
| C19 | C18 | O18 | H11 | 119.9° | 120.1° |
| C19 | C18 | O22 | H11 | 114.5° | 120.0° |
| C19 | C18 | O22 | C22 | 54.5° | 61.1° |
| C19 | C18 | O18 | C15 | 150.6° | 170.1° |
| C18 | C19 | C20 | H14 | 177.7° | 176.8° |
| C18 | C19 | C20 | H15 | 59.1° | 62.9° |
| C18 | C19 | N23 | H42 | 61.1° | 179.9° |
| C18 | C19 | N23 | H43 | 178.9° | 56.1° |
| C21 | C22 | O22 | C18 | 56.3° | 61.1° |
| C21 | C22 | O22 | C23 | 123.2° | 120.0° |
| C21 | C22 | O22 | H18 | 119.3° | 120.0° |
| C21 | C22 | C23 | H18 | 119.3° | 120.0° |
| C21 | C22 | C23 | N19 | 133.6° | 180.0° |
| C22 | C21 | C20 | H14 | 178.0° | 176.8° |
| C22 | C21 | C20 | H15 | 59.5° | 62.9° |
| C22 | C21 | H16 | H17 | 120.6° | 120.1° |
| C21 | C22 | C23 | H19 | 105.7° | 60.1° |
| C21 | C22 | C23 | H20 | 12.9° | 60.1° |
| O18 | C18 | O22 | H11 | 119.6° | 120.0° |
| O18 | C18 | O22 | C22 | 179.6° | 178.8° |
| C18 | O18 | C15 | C14 | 165.1° | 91.5° |
| C18 | O18 | C15 | C16 | 80.3° | 153.9° |
| C18 | O18 | C15 | H7 | 43.1° | 31.2° |
| O18 | C18 | C19 | H12 | 64.1° | 62.4° |
| C18 | O22 | C22 | C23 | 179.6° | 178.9° |
| O22 | C18 | O18 | C15 | 87.7° | 69.9° |
| O22 | C18 | C19 | H12 | 170.5° | 177.5° |
| C18 | O22 | C22 | H18 | 63.0° | 58.8° |
| O22 | C22 | C23 | H18 | 118.0° | 120.1° |
| O22 | C22 | C23 | N19 | 103.7° | 60.0° |
| C22 | O22 | C18 | H11 | 60.0° | 58.9° |
| O22 | C22 | C21 | H16 | 63.4° | 62.3° |
| O22 | C22 | C21 | H17 | 176.2° | 177.5° |
| O22 | C22 | C23 | H19 | 17.0° | 59.9° |
| O22 | C22 | C23 | H20 | 135.6° | 180.0° |
| C22 | C23 | N19 | H19 | 120.7° | 120.0° |
| C22 | C23 | N19 | H20 | 120.7° | 120.0° |
| C23 | C22 | C21 | H16 | 59.3° | 57.7° |
| C23 | C22 | C21 | H17 | 61.0° | 62.5° |
| C22 | C23 | H19 | H20 | 117.9° | 120.1° |
| C22 | C23 | N19 | H36 | 180.0° | 56.0° |
| C22 | C23 | N19 | H37 | 60.0° | 180.0° |
| O18 | C15 | C14 | O14 | 41.1° | 0.1° |
| O18 | C15 | C14 | C16 | 119.9° | 118.7° |
| O18 | C15 | C14 | H7 | 121.7° | 122.7° |
| O18 | C15 | C16 | H7 | 123.8° | 122.7° |
| O18 | C15 | C14 | C13 | 73.3° | 118.7° |
| O18 | C15 | C16 | C17 | 161.9° | 98.5° |
| O18 | C15 | C16 | O16 | 71.1° | 142.6° |
| O18 | C15 | C14 | H6 | 170.8° | 122.7° |
| O18 | C15 | C16 | H8 | 41.3° | 23.7° |
| C15 | O18 | C18 | H11 | 30.7° | 50.0° |
| O14 | C14 | C15 | C13 | 114.4° | 118.8° |
| O14 | C14 | C15 | H6 | 129.7° | 122.6° |
| O14 | C14 | C15 | C16 | 161.0° | 118.7° |
| O14 | C14 | C13 | H6 | 125.2° | 122.5° |
| O14 | C14 | C13 | O16 | 147.7° | 142.7° |
| O14 | C14 | C13 | O11 | 87.4° | 98.4° |
| O14 | C14 | C13 | H5 | 33.7° | 23.9° |
| O14 | C14 | C15 | H7 | 80.6° | 122.6° |
| N19 | C23 | C22 | H18 | 14.4° | 60.0° |
| N19 | C23 | H19 | H20 | 117.9° | 119.9° |
| C23 | N19 | H36 | H37 | 120.0° | 124.0° |
| C14 | C15 | C16 | H7 | 119.1° | 118.6° |
| C15 | C14 | C13 | H6 | 116.8° | 118.6° |
| C14 | C15 | C16 | C17 | 81.0° | 142.8° |
| C14 | C15 | C16 | O16 | 46.0° | 24.0° |
| C15 | C14 | C13 | O16 | 29.7° | 23.9° |
| C15 | C14 | C13 | O11 | 154.6° | 142.8° |
| C15 | C14 | C13 | H5 | 84.3° | 94.9° |
| C14 | C15 | C16 | H8 | 158.4° | 94.9° |
| C15 | C14 | O14 | H56 | 180.0° | 176.1° |
| C16 | C15 | C14 | C13 | 46.6° | 0.0° |
| C15 | C16 | C17 | O16 | 115.6° | 115.4° |
| C15 | C16 | C17 | H8 | 120.5° | 122.3° |
| C15 | C16 | O16 | H8 | 111.1° | 118.9° |
| C15 | C16 | O16 | C13 | 26.2° | 40.5° |
| C15 | C16 | C17 | O17 | 158.7° | 175.0° |
| C16 | C15 | C14 | H6 | 69.3° | 118.6° |
| C15 | C16 | C17 | H9 | 39.2° | 55.0° |
| C15 | C16 | C17 | H10 | 81.8° | 65.0° |
| C14 | C13 | O16 | C16 | 1.2° | 40.4° |
| C14 | C13 | O16 | O11 | 124.0° | 118.9° |
| C14 | C13 | O16 | H5 | 113.1° | 118.9° |
| C14 | C13 | O11 | H5 | 119.0° | 122.4° |
| C14 | C13 | O11 | C11 | 154.5° | 178.2° |
| C13 | C14 | C15 | H7 | 165.0° | 118.6° |
| C13 | C14 | O14 | H56 | 72.4° | 61.3° |
| F99 | C24 | C27 | N3 | 58.1° | 60.0° |
| F99 | C24 | C27 | C28 | 122.9° | 120.0° |
| F99 | C24 | C27 | H21 | 118.4° | 120.0° |
| F99 | C24 | C28 | H21 | 120.7° | 120.0° |
| F99 | C24 | C28 | O19 | 40.8° | 65.0° |
| F99 | C24 | C28 | C26 | 79.4° | 55.0° |
| F99 | C24 | C27 | H22 | 64.7° | 180.0° |
| F99 | C24 | C27 | H23 | 179.0° | 60.0° |
| F99 | C24 | C28 | H24 | 164.6° | 175.0° |
| N3 | C27 | C24 | H22 | 122.8° | 119.9° |
| N3 | C27 | C24 | H23 | 122.8° | 120.0° |
| N3 | C27 | C24 | C28 | 179.0° | 180.0° |
| N3 | C27 | C24 | H21 | 60.3° | 60.0° |
| N3 | C27 | H22 | H23 | 110.1° | 120.0° |
| C27 | N3 | H45 | H46 | 120.0° | 123.9° |
| C17 | C16 | O16 | H8 | 123.1° | 122.2° |
| C17 | C16 | O16 | C13 | 99.7° | 159.4° |
| C16 | C17 | O17 | H9 | 119.5° | 120.0° |
| C16 | C17 | O17 | H10 | 119.5° | 120.0° |
| C17 | C16 | C15 | H7 | 38.1° | 24.2° |
| C16 | C17 | H9 | H10 | 121.4° | 120.0° |
| C16 | C17 | O17 | H57 | 180.0° | 180.0° |
| C16 | O16 | C13 | O11 | 125.2° | 159.3° |
| O16 | C16 | C17 | O17 | 85.7° | 69.6° |
| C16 | O16 | C13 | H5 | 111.8° | 78.5° |
| O16 | C16 | C15 | H7 | 165.2° | 94.7° |
| O16 | C16 | C17 | H9 | 154.8° | 170.4° |
| O16 | C16 | C17 | H10 | 33.8° | 50.4° |
| O16 | C13 | O11 | H5 | 121.7° | 122.2° |
| O16 | C13 | O11 | C11 | 86.3° | 66.4° |
| O16 | C13 | C14 | H6 | 87.2° | 94.7° |
| C13 | O16 | C16 | H8 | 137.3° | 78.4° |
| C13 | O11 | C11 | C12 | 93.4° | 90.0° |
| C13 | O11 | C11 | C10 | 148.8° | 150.0° |
| C13 | O11 | C11 | H3 | 28.8° | 30.0° |
| O11 | C13 | C14 | H6 | 37.8° | 24.1° |
| O12 | C12 | C11 | O11 | 63.0° | 60.0° |
| O12 | C12 | C11 | C7 | 117.0° | 120.0° |
| O12 | C12 | C11 | H4 | 123.6° | 120.0° |
| O12 | C12 | C7 | H4 | 124.8° | 120.0° |
| O12 | C12 | C7 | N7 | 64.1° | 60.0° |
| O12 | C12 | C11 | C10 | 179.4° | 179.9° |
| O12 | C12 | C7 | C8 | 179.9° | 180.0° |
| O12 | C12 | C11 | H3 | 60.1° | 60.0° |
| O12 | C12 | C7 | H32 | 61.0° | 60.0° |
| C27 | C24 | C28 | H21 | 118.4° | 120.1° |
| C27 | C24 | C28 | O19 | 80.0° | 55.0° |
| C27 | C24 | C28 | C26 | 159.8° | 175.0° |
| C24 | C27 | H22 | H23 | 110.1° | 120.0° |
| C27 | C24 | C28 | H24 | 43.8° | 65.0° |
| C24 | C27 | N3 | H45 | 180.0° | 56.0° |
| C24 | C27 | N3 | H46 | 60.0° | 179.9° |
| O17 | C17 | C16 | H8 | 38.2° | 52.7° |
| O17 | C17 | H9 | H10 | 121.4° | 120.0° |
| C24 | C28 | O19 | C26 | 117.6° | 120.0° |
| C24 | C28 | O19 | H24 | 124.7° | 120.1° |
| C24 | C28 | C26 | H24 | 118.5° | 120.1° |
| C24 | C28 | C26 | N7 | 119.9° | 65.0° |
| C24 | C28 | C26 | O2 | 63.0° | 115.0° |
| C28 | C24 | C27 | H22 | 58.2° | 60.1° |
| C28 | C24 | C27 | H23 | 56.1° | 60.0° |
| C24 | C28 | O19 | H58 | 180.0° | 60.0° |
| O19 | C28 | C26 | H24 | 118.9° | 119.9° |
| O19 | C28 | C26 | N7 | 2.7° | 175.0° |
| O19 | C28 | C26 | O2 | 174.4° | 5.0° |
| O19 | C28 | C24 | H21 | 161.6° | 175.0° |
| O11 | C11 | C12 | C10 | 116.4° | 119.9° |
| O11 | C11 | C12 | H3 | 123.1° | 120.0° |
| O11 | C11 | C12 | C7 | 180.0° | 180.0° |
| O11 | C11 | C10 | H3 | 120.6° | 120.0° |
| O11 | C11 | C10 | O1 | 62.2° | 60.1° |
| O11 | C11 | C10 | C9 | 179.7° | 180.0° |
| O11 | C11 | C10 | H2 | 59.6° | 60.0° |
| O11 | C11 | C12 | H4 | 60.6° | 60.0° |
| C11 | O11 | C13 | H5 | 35.5° | 55.8° |
| C11 | C12 | C7 | H4 | 119.2° | 120.0° |
| C11 | C12 | C7 | N7 | 179.9° | 180.0° |
| C12 | C11 | C10 | H3 | 120.0° | 120.1° |
| C11 | C12 | C7 | C8 | 64.1° | 60.0° |
| C12 | C11 | C10 | O1 | 178.4° | 180.0° |
| C12 | C11 | C10 | C9 | 60.3° | 60.0° |
| C12 | C11 | C10 | H2 | 59.8° | 59.9° |
| C11 | C12 | C7 | H32 | 55.0° | 60.0° |
| C11 | C12 | O12 | H55 | 180.0° | 180.0° |
| C12 | C7 | N7 | C26 | 140.0° | 155.0° |
| C12 | C7 | N7 | C8 | 115.4° | 120.0° |
| C12 | C7 | N7 | H32 | 124.0° | 120.0° |
| C7 | C12 | C11 | C10 | 63.6° | 60.0° |
| C12 | C7 | C8 | H32 | 119.3° | 119.9° |
| C12 | C7 | C8 | C9 | 62.8° | 60.0° |
| C7 | C12 | C11 | H3 | 56.8° | 60.0° |
| C12 | C7 | C8 | H33 | 57.3° | 60.0° |
| C12 | C7 | C8 | H34 | 177.1° | 179.9° |
| C12 | C7 | N7 | H51 | 40.0° | 25.0° |
| C7 | C12 | O12 | H55 | 64.2° | 60.0° |
| C28 | C26 | N7 | O2 | 177.0° | 180.0° |
| C28 | C26 | N7 | C7 | 177.0° | 180.0° |
| C26 | C28 | C24 | H21 | 41.3° | 65.0° |
| C28 | C26 | N7 | H51 | 3.0° | 0.0° |
| C26 | C28 | O19 | H58 | 62.4° | 60.0° |
| C26 | N7 | C7 | H51 | 180.0° | 180.0° |
| C26 | N7 | C7 | C8 | 104.6° | 85.0° |
| N7 | C26 | C28 | H24 | 121.6° | 55.0° |
| C26 | N7 | C7 | H32 | 16.0° | 35.0° |
| C7 | N7 | C26 | O2 | 0.1° | 0.0° |
| N7 | C7 | C8 | H32 | 122.0° | 120.1° |
| N7 | C7 | C8 | C9 | 178.5° | 180.0° |
| N7 | C7 | C12 | H4 | 60.7° | 60.0° |
| N7 | C7 | C8 | H33 | 61.4° | 60.0° |
| N7 | C7 | C8 | H34 | 58.4° | 60.0° |
| C11 | C10 | O1 | C9 | 121.6° | 119.9° |
| C11 | C10 | O1 | H2 | 120.8° | 120.1° |
| C11 | C10 | C9 | H2 | 119.9° | 120.0° |
| C11 | C10 | O1 | C1 | 84.1° | 129.3° |
| C11 | C10 | C9 | C8 | 57.8° | 60.0° |
| C11 | C10 | C9 | N9 | 179.1° | 180.0° |
| C10 | C11 | C12 | H4 | 55.8° | 60.0° |
| C11 | C10 | C9 | H35 | 61.2° | 60.0° |
| O2 | C26 | C28 | H24 | 55.4° | 125.0° |
| O2 | C26 | N7 | H51 | 179.9° | 180.0° |
| C7 | C8 | C9 | C10 | 58.9° | 60.0° |
| C7 | C8 | C9 | H33 | 120.1° | 120.0° |
| C7 | C8 | C9 | H34 | 120.1° | 120.0° |
| C7 | C8 | C9 | N9 | 178.7° | 180.0° |
| C8 | C7 | C12 | H4 | 55.1° | 60.0° |
| C7 | C8 | H33 | H34 | 119.7° | 120.0° |
| C7 | C8 | C9 | H35 | 60.4° | 60.0° |
| C8 | C7 | N7 | H51 | 75.4° | 95.0° |
| O1 | C10 | C9 | H2 | 118.7° | 120.0° |
| C10 | O1 | C1 | O5 | 77.2° | 87.6° |
| C10 | O1 | C1 | C2 | 159.6° | 152.5° |
| O1 | C10 | C9 | C8 | 179.3° | 180.0° |
| O1 | C10 | C9 | N9 | 59.5° | 60.0° |
| C10 | O1 | C1 | H1 | 41.1° | 32.5° |
| O1 | C10 | C11 | H3 | 58.4° | 59.9° |
| O1 | C10 | C9 | H35 | 60.2° | 60.0° |
| C9 | C10 | O1 | C1 | 154.3° | 110.7° |
| C10 | C9 | C8 | N9 | 119.8° | 120.0° |
| C10 | C9 | C8 | H35 | 119.3° | 120.0° |
| C10 | C9 | N9 | H35 | 119.2° | 120.0° |
| C9 | C10 | C11 | H3 | 59.7° | 60.0° |
| C10 | C9 | C8 | H33 | 61.2° | 60.0° |
| C10 | C9 | C8 | H34 | 179.0° | 180.0° |
| C10 | C9 | N9 | H52 | 180.0° | 173.4° |
| C10 | C9 | N9 | H53 | 60.0° | 62.6° |
| O1 | C1 | O5 | C2 | 123.2° | 120.0° |
| O1 | C1 | O5 | H1 | 118.8° | 120.1° |
| O1 | C1 | C2 | H1 | 119.5° | 120.0° |
| O1 | C1 | C2 | N2 | 56.1° | 57.5° |
| O1 | C1 | O5 | C5 | 67.6° | 58.8° |
| O1 | C1 | C2 | C3 | 66.8° | 62.4° |
| C1 | O1 | C10 | H2 | 36.7° | 9.3° |
| O1 | C1 | C2 | H13 | 174.5° | 177.7° |
| O5 | C1 | C2 | H1 | 118.4° | 120.0° |
| O5 | C1 | C2 | N2 | 178.3° | 177.5° |
| O5 | C1 | C2 | C3 | 55.3° | 57.6° |
| C1 | O5 | C5 | C6 | 180.0° | 178.8° |
| C1 | O5 | C5 | C4 | 58.2° | 61.2° |
| O5 | C1 | C2 | H13 | 63.4° | 62.3° |
| C1 | O5 | C5 | H29 | 60.7° | 58.8° |
| C1 | C2 | N2 | C3 | 122.6° | 119.7° |
| C1 | C2 | N2 | H13 | 118.1° | 120.1° |
| C2 | C1 | O5 | C5 | 55.7° | 61.2° |
| C1 | C2 | C3 | H13 | 118.9° | 119.9° |
| C1 | C2 | C3 | C4 | 58.3° | 57.0° |
| C1 | C2 | C3 | H25 | 61.5° | 62.9° |
| C1 | C2 | C3 | H26 | 178.1° | 176.8° |
| C1 | C2 | N2 | H39 | 180.0° | 180.0° |
| C1 | C2 | N2 | H40 | 60.0° | 56.1° |
| N2 | C2 | C3 | H13 | 119.7° | 120.2° |
| N2 | C2 | C3 | C4 | 179.7° | 176.9° |
| N2 | C2 | C1 | H1 | 63.4° | 62.5° |
| N2 | C2 | C3 | H25 | 59.9° | 57.0° |
| N2 | C2 | C3 | H26 | 60.5° | 63.3° |
| C2 | N2 | H39 | H40 | 120.0° | 124.0° |
| C8 | C9 | N9 | H35 | 120.1° | 120.0° |
| C8 | C9 | C10 | H2 | 62.1° | 60.0° |
| C9 | C8 | C7 | H32 | 56.5° | 60.0° |
| C9 | C8 | H33 | H34 | 119.7° | 120.1° |
| C8 | C9 | N9 | H52 | 59.4° | 53.4° |
| C8 | C9 | N9 | H53 | 179.4° | 177.4° |
| O5 | C5 | C6 | N6 | 58.7° | 57.3° |
| O5 | C5 | C6 | C4 | 121.0° | 119.9° |
| O5 | C5 | C6 | H29 | 119.4° | 120.0° |
| O5 | C5 | C4 | H29 | 119.4° | 119.9° |
| O5 | C5 | C4 | C3 | 59.2° | 57.6° |
| C5 | O5 | C1 | H1 | 173.6° | 178.8° |
| O5 | C5 | C4 | H27 | 60.6° | 177.5° |
| O5 | C5 | C4 | H28 | 178.9° | 62.3° |
| O5 | C5 | C6 | H30 | 61.6° | 177.3° |
| O5 | C5 | C6 | H31 | 179.0° | 62.7° |
| C2 | C3 | C4 | C5 | 59.7° | 57.0° |
| C2 | C3 | C4 | H25 | 119.8° | 119.9° |
| C2 | C3 | C4 | H26 | 119.8° | 119.8° |
| C3 | C2 | C1 | H1 | 173.7° | 177.6° |
| C2 | C3 | H25 | H26 | 120.6° | 120.2° |
| C2 | C3 | C4 | H27 | 60.1° | 176.9° |
| C2 | C3 | C4 | H28 | 179.4° | 62.9° |
| C3 | C2 | N2 | H39 | 57.3° | 60.4° |
| C3 | C2 | N2 | H40 | 62.6° | 63.6° |
| N9 | C9 | C10 | H2 | 59.2° | 60.0° |
| N9 | C9 | C8 | H33 | 58.6° | 60.0° |
| N9 | C9 | C8 | H34 | 61.2° | 60.0° |
| C9 | N9 | H52 | H53 | 120.0° | 124.0° |
| N6 | C6 | C5 | H30 | 120.3° | 120.0° |
| N6 | C6 | C5 | H31 | 120.3° | 120.0° |
| N6 | C6 | C5 | C4 | 179.7° | 177.2° |
| N6 | C6 | C5 | H29 | 60.7° | 62.7° |
| N6 | C6 | H30 | H31 | 119.2° | 120.0° |
| C6 | N6 | H48 | H49 | 120.0° | 124.0° |
| C6 | C5 | C4 | H29 | 120.0° | 120.1° |
| C6 | C5 | C4 | C3 | 179.8° | 177.6° |
| C6 | C5 | C4 | H27 | 60.1° | 62.5° |
| C6 | C5 | C4 | H28 | 60.4° | 57.7° |
| C5 | C6 | H30 | H31 | 119.2° | 120.0° |
| C5 | C6 | N6 | H48 | 180.0° | 175.8° |
| C5 | C6 | N6 | H49 | 60.0° | 60.2° |
| C5 | C4 | C3 | H27 | 119.8° | 119.8° |
| C5 | C4 | C3 | H28 | 119.7° | 120.0° |
| C5 | C4 | C3 | H25 | 60.1° | 62.9° |
| C5 | C4 | C3 | H26 | 179.5° | 176.8° |
| C5 | C4 | H27 | H28 | 120.7° | 120.2° |
| C4 | C5 | C6 | H30 | 59.4° | 62.8° |
| C4 | C5 | C6 | H31 | 60.0° | 57.2° |
| C4 | C3 | C2 | H13 | 60.6° | 62.8° |
| C4 | C3 | H25 | H26 | 120.6° | 120.2° |
| C3 | C4 | H27 | H28 | 120.8° | 120.2° |
| C3 | C4 | C5 | H29 | 60.2° | 62.3° |
| H1 | C1 | C2 | H13 | 55.0° | 57.7° |
| H2 | C10 | C11 | H3 | 179.8° | 180.0° |
| H2 | C10 | C9 | H35 | 178.9° | 180.0° |
| H3 | C11 | C12 | H4 | 176.3° | 179.9° |
| H4 | C12 | C7 | H32 | 174.2° | 180.0° |
| H4 | C12 | O12 | H55 | 58.7° | 60.1° |
| H5 | C13 | C14 | H6 | 158.9° | 146.5° |
| H6 | C14 | C15 | H7 | 49.1° | 0.0° |
| H6 | C14 | O14 | H56 | 51.2° | 61.2° |
| H7 | C15 | C16 | H8 | 82.4° | 146.4° |
| H8 | C16 | C17 | H9 | 81.4° | 67.3° |
| H8 | C16 | C17 | H10 | 157.7° | 172.7° |
| H9 | C17 | O17 | H57 | 60.5° | 59.9° |
| H10 | C17 | O17 | H57 | 60.4° | 60.1° |
| H11 | C18 | C19 | H12 | 56.5° | 57.6° |
| H12 | C19 | C20 | H14 | 58.7° | 63.3° |
| H12 | C19 | C20 | H15 | 59.8° | 57.0° |
| H12 | C19 | N23 | H42 | 62.7° | 59.8° |
| H12 | C19 | N23 | H43 | 57.3° | 176.2° |
| H13 | C2 | C3 | H25 | 179.6° | 177.2° |
| H13 | C2 | C3 | H26 | 59.2° | 57.0° |
| H13 | C2 | N2 | H39 | 61.9° | 59.8° |
| H13 | C2 | N2 | H40 | 178.1° | 176.2° |
| H14 | C20 | C21 | H16 | 62.2° | 56.9° |
| H14 | C20 | C21 | H17 | 58.2° | 63.3° |
| H15 | C20 | C21 | H16 | 179.3° | 177.2° |
| H15 | C20 | C21 | H17 | 60.4° | 57.0° |
| H16 | C21 | C22 | H18 | 177.7° | 177.7° |
| H17 | C21 | C22 | H18 | 57.3° | 57.5° |
| H18 | C22 | C23 | H19 | 135.0° | 180.0° |
| H18 | C22 | C23 | H20 | 106.3° | 59.9° |
| H19 | C23 | N19 | H36 | 59.3° | 64.0° |
| H19 | C23 | N19 | H37 | 179.3° | 60.0° |
| H20 | C23 | N19 | H36 | 59.3° | 176.0° |
| H20 | C23 | N19 | H37 | 60.7° | 60.0° |
| H21 | C24 | C27 | H22 | 176.9° | 60.0° |
| H21 | C24 | C27 | H23 | 62.6° | 180.0° |
| H21 | C24 | C28 | H24 | 74.7° | 55.0° |
| H22 | C27 | N3 | H45 | 57.2° | 63.9° |
| H22 | C27 | N3 | H46 | 62.9° | 60.0° |
| H23 | C27 | N3 | H45 | 57.2° | 176.1° |
| H23 | C27 | N3 | H46 | 177.2° | 60.0° |
| H24 | C28 | O19 | H58 | 55.3° | 179.9° |
| H25 | C3 | C4 | H27 | 179.9° | 57.0° |
| H25 | C3 | C4 | H28 | 59.6° | 177.2° |
| H26 | C3 | C4 | H27 | 59.7° | 63.3° |
| H26 | C3 | C4 | H28 | 60.8° | 56.9° |
| H27 | C4 | C5 | H29 | 179.9° | 57.6° |
| H28 | C4 | C5 | H29 | 59.6° | 177.8° |
| H29 | C5 | C6 | H30 | 179.0° | 57.3° |
| H29 | C5 | C6 | H31 | 59.6° | 177.3° |
| H30 | C6 | N6 | H48 | 59.7° | 55.8° |
| H30 | C6 | N6 | H49 | 60.2° | 179.9° |
| H31 | C6 | N6 | H48 | 59.7° | 64.2° |
| H31 | C6 | N6 | H49 | 179.7° | 59.9° |
| H32 | C7 | C8 | H33 | 176.6° | 179.9° |
| H32 | C7 | C8 | H34 | 63.6° | 60.1° |
| H32 | C7 | N7 | H51 | 164.0° | 145.0° |
| H33 | C8 | C9 | H35 | 179.5° | 180.0° |
| H34 | C8 | C9 | H35 | 59.7° | 60.0° |
| H35 | C9 | N9 | H52 | 60.7° | 66.6° |
| H35 | C9 | N9 | H53 | 59.2° | 57.4° |
