F9I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| O3 | C6 | doub | 1.21Å | 1.23Å | |
| C6 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C4 | sing | 1.46Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| O1 | C3 | sing | 1.43Å | 1.40Å | |
| O2 | C5 | sing | 1.43Å | 1.42Å | |
| C3 | O4 | sing | 1.43Å | 1.41Å | |
| C5 | C10 | sing | 1.53Å | 1.52Å | |
| O10 | S1 | doub | 1.42Å | 1.53Å | |
| O12 | S1 | doub | 1.42Å | 1.41Å | |
| O4 | C8 | sing | 1.43Å | 1.43Å | |
| S1 | O11 | sing | 1.52Å | 1.41Å | |
| S1 | O9 | sing | 1.52Å | 1.56Å | |
| C10 | C8 | sing | 1.53Å | 1.52Å | |
| C10 | O6 | sing | 1.43Å | 1.44Å | |
| C14 | O9 | sing | 1.43Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| O8 | C13 | sing | 1.43Å | 1.44Å | |
| O8 | C11 | sing | 1.43Å | 1.41Å | |
| O6 | C11 | sing | 1.43Å | 1.41Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| O5 | C9 | sing | 1.43Å | 1.42Å | |
| O13 | C15 | sing | 1.43Å | 1.42Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C12 | C16 | sing | 1.53Å | 1.52Å | |
| C12 | O7 | sing | 1.43Å | 1.42Å | |
| C16 | O14 | sing | 1.43Å | 1.42Å | |
| O14 | C17 | sing | 1.43Å | 1.40Å | |
| O23 | S2 | doub | 1.42Å | 1.43Å | |
| C34 | C35 | doub | 1.36Å | 1.37Å | Aromatic |
| C34 | C30 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | O17 | sing | 1.43Å | 1.42Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | doub | 1.40Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.36Å | 1.37Å | Aromatic |
| S2 | N6 | sing | 1.66Å | 1.61Å | |
| S2 | C28 | sing | 1.76Å | 1.76Å | |
| S2 | O22 | doub | 1.42Å | 1.43Å | |
| C18 | O15 | doub | 1.21Å | 1.31Å | |
| C18 | O16 | sing | 1.34Å | 1.22Å | |
| O17 | C24 | sing | 1.43Å | 1.43Å | |
| C35 | C36 | sing | 1.39Å | 1.38Å | Aromatic |
| N6 | C27 | sing | 1.46Å | 1.47Å | |
| C30 | C31 | sing | 1.42Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C28 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.36Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | O21 | sing | 1.43Å | 1.43Å | |
| C31 | C37 | sing | 1.41Å | 1.41Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.42Å | Aromatic |
| O20 | C25 | sing | 1.43Å | 1.42Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C21 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.36Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | O18 | sing | 1.43Å | 1.43Å | |
| C21 | N5 | sing | 1.47Å | 1.45Å | |
| N5 | C22 | sing | 1.35Å | 1.34Å | |
| O19 | C22 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| N4 | H38 | sing | 0.97Å | 1.00Å | |
| N5 | H39 | sing | 0.97Å | 1.00Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å | |
| O13 | H41 | sing | 0.97Å | 0.95Å | |
| O16 | H42 | sing | 0.97Å | 0.95Å | |
| O18 | H43 | sing | 0.97Å | 0.95Å | |
| O2 | H44 | sing | 0.97Å | 0.95Å | |
| O20 | H45 | sing | 0.97Å | 0.95Å | |
| O21 | H46 | sing | 0.97Å | 0.95Å | |
| O5 | H47 | sing | 0.97Å | 0.95Å | |
| O7 | H48 | sing | 0.97Å | 0.95Å | |
| O11 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | O3 | 121.9° | 120.0° |
| C7 | C6 | N4 | 116.0° | 120.0° |
| C6 | C7 | H3 | 109.5° | 109.4° |
| C6 | C7 | H4 | 109.5° | 109.4° |
| C6 | C7 | H5 | 109.5° | 109.5° |
| O3 | C6 | N4 | 122.1° | 120.0° |
| C6 | N4 | C4 | 123.1° | 120.0° |
| C6 | N4 | H38 | 118.5° | 120.0° |
| N4 | C4 | C3 | 110.6° | 109.5° |
| N4 | C4 | C5 | 110.6° | 109.5° |
| N4 | C4 | H7 | 108.5° | 109.6° |
| C4 | N4 | H38 | 118.4° | 120.0° |
| C3 | C4 | C5 | 111.6° | 109.2° |
| C4 | C3 | O1 | 123.8° | 109.5° |
| C4 | C3 | O4 | 110.9° | 109.4° |
| C3 | C4 | H7 | 107.6° | 109.5° |
| C4 | C3 | H8 | 102.5° | 109.5° |
| C4 | C5 | O2 | 109.4° | 109.6° |
| C4 | C5 | C10 | 120.5° | 109.0° |
| C4 | C5 | H2 | 104.9° | 109.5° |
| C5 | C4 | H7 | 107.7° | 109.5° |
| O1 | C3 | O4 | 110.1° | 109.5° |
| C3 | O1 | H1 | 109.5° | 114.0° |
| O1 | C3 | H8 | 103.6° | 109.5° |
| O2 | C5 | C10 | 109.9° | 109.5° |
| O2 | C5 | H2 | 106.0° | 109.6° |
| C5 | O2 | H44 | 109.5° | 114.0° |
| C3 | O4 | C8 | 112.9° | 114.1° |
| O4 | C3 | H8 | 103.5° | 109.5° |
| C5 | C10 | C8 | 111.4° | 109.1° |
| C5 | C10 | O6 | 107.9° | 109.5° |
| C10 | C5 | H2 | 105.0° | 109.6° |
| C5 | C10 | H9 | 109.1° | 109.5° |
| O10 | S1 | O12 | 115.7° | 123.2° |
| O10 | S1 | O11 | 114.7° | 106.4° |
| O10 | S1 | O9 | 96.4° | 106.4° |
| O12 | S1 | O11 | 112.8° | 106.4° |
| O12 | S1 | O9 | 107.3° | 106.4° |
| O4 | C8 | C10 | 109.5° | 109.5° |
| O4 | C8 | C9 | 106.8° | 109.4° |
| O4 | C8 | H6 | 109.8° | 109.5° |
| O11 | S1 | O9 | 108.0° | 107.2° |
| S1 | O11 | H49 | 109.5° | 113.9° |
| S1 | O9 | C14 | 116.9° | 114.0° |
| C8 | C10 | O6 | 109.2° | 109.5° |
| C10 | C8 | C9 | 113.3° | 109.4° |
| C10 | C8 | H6 | 108.6° | 109.5° |
| C8 | C10 | H9 | 109.0° | 109.5° |
| C10 | O6 | C11 | 117.0° | 114.0° |
| O6 | C10 | H9 | 110.3° | 109.6° |
| O9 | C14 | C13 | 107.6° | 109.5° |
| O9 | C14 | H13 | 109.9° | 109.5° |
| O9 | C14 | H14 | 110.0° | 109.5° |
| C14 | C13 | O8 | 106.4° | 109.5° |
| C14 | C13 | C15 | 112.8° | 109.5° |
| C14 | C13 | H12 | 109.0° | 109.5° |
| C13 | C14 | H13 | 110.0° | 109.4° |
| C13 | C14 | H14 | 109.9° | 109.4° |
| C8 | C9 | O5 | 111.4° | 109.4° |
| C9 | C8 | H6 | 108.8° | 109.5° |
| C8 | C9 | H36 | 109.0° | 109.5° |
| C8 | C9 | H37 | 109.0° | 109.5° |
| C13 | O8 | C11 | 113.0° | 114.1° |
| O8 | C13 | C15 | 109.8° | 109.4° |
| O8 | C13 | H12 | 110.0° | 109.5° |
| O8 | C11 | O6 | 109.7° | 109.5° |
| O8 | C11 | C12 | 110.1° | 109.4° |
| O8 | C11 | H10 | 109.9° | 109.4° |
| O6 | C11 | C12 | 108.6° | 109.5° |
| O6 | C11 | H10 | 110.0° | 109.5° |
| C13 | C15 | O13 | 109.5° | 109.5° |
| C13 | C15 | C16 | 109.5° | 109.2° |
| C15 | C13 | H12 | 108.8° | 109.5° |
| C13 | C15 | H15 | 108.6° | 109.5° |
| C11 | C12 | C16 | 109.9° | 109.2° |
| C11 | C12 | O7 | 109.9° | 109.5° |
| C12 | C11 | H10 | 108.4° | 109.5° |
| C11 | C12 | H11 | 108.5° | 109.5° |
| O5 | C9 | H36 | 109.0° | 109.4° |
| O5 | C9 | H37 | 109.0° | 109.5° |
| C9 | O5 | H47 | 109.5° | 113.9° |
| O13 | C15 | C16 | 110.4° | 109.5° |
| O13 | C15 | H15 | 110.1° | 109.6° |
| C15 | O13 | H41 | 109.5° | 114.0° |
| C15 | C16 | C12 | 111.2° | 109.0° |
| C15 | C16 | O14 | 109.4° | 109.5° |
| C16 | C15 | H15 | 108.7° | 109.5° |
| C15 | C16 | H16 | 108.5° | 109.5° |
| C16 | C12 | O7 | 110.3° | 109.5° |
| C12 | C16 | O14 | 109.4° | 109.5° |
| C16 | C12 | H11 | 108.4° | 109.5° |
| C12 | C16 | H16 | 108.5° | 109.5° |
| O7 | C12 | H11 | 109.8° | 109.6° |
| C12 | O7 | H48 | 109.5° | 114.0° |
| C16 | O14 | C17 | 122.8° | 114.0° |
| O14 | C16 | H16 | 109.9° | 109.6° |
| O14 | C17 | C18 | 109.5° | 109.5° |
| O14 | C17 | O17 | 109.9° | 109.5° |
| O14 | C17 | C19 | 107.0° | 109.5° |
| O23 | S2 | N6 | 106.8° | 106.4° |
| O23 | S2 | C28 | 108.1° | 106.4° |
| O23 | S2 | O22 | 119.5° | 123.2° |
| C35 | C34 | C30 | 120.7° | 119.7° |
| C34 | C35 | C36 | 120.6° | 121.0° |
| C35 | C34 | H32 | 119.7° | 120.2° |
| C34 | C35 | H33 | 119.7° | 119.5° |
| C34 | C30 | C29 | 122.3° | 121.3° |
| C34 | C30 | C31 | 118.6° | 119.3° |
| C30 | C34 | H32 | 119.6° | 120.1° |
| C18 | C17 | O17 | 106.4° | 109.5° |
| C18 | C17 | C19 | 112.8° | 109.4° |
| C17 | C18 | O15 | 112.6° | 120.0° |
| C17 | C18 | O16 | 123.9° | 120.0° |
| O17 | C17 | C19 | 111.3° | 109.4° |
| C17 | O17 | C24 | 115.1° | 114.1° |
| C17 | C19 | C20 | 111.7° | 109.2° |
| C17 | C19 | H17 | 108.9° | 109.5° |
| C17 | C19 | H18 | 108.9° | 109.5° |
| C30 | C29 | C28 | 120.0° | 119.6° |
| C29 | C30 | C31 | 119.1° | 119.4° |
| C30 | C29 | H29 | 120.0° | 120.2° |
| C29 | C28 | S2 | 118.7° | 119.5° |
| C29 | C28 | C33 | 121.5° | 121.0° |
| C28 | C29 | H29 | 120.0° | 120.2° |
| N6 | S2 | C28 | 107.3° | 107.2° |
| N6 | S2 | O22 | 106.8° | 106.4° |
| S2 | N6 | C27 | 120.5° | 120.1° |
| S2 | N6 | H40 | 106.6° | 120.0° |
| C28 | S2 | O22 | 107.9° | 106.4° |
| S2 | C28 | C33 | 119.8° | 119.5° |
| O15 | C18 | O16 | 123.5° | 120.0° |
| C18 | O16 | H42 | 109.5° | 117.0° |
| O17 | C24 | C25 | 114.1° | 109.4° |
| O17 | C24 | C21 | 109.8° | 109.4° |
| O17 | C24 | H24 | 106.5° | 109.5° |
| C35 | C36 | C37 | 120.6° | 121.0° |
| C36 | C35 | H33 | 119.7° | 119.5° |
| C35 | C36 | H34 | 119.7° | 119.5° |
| N6 | C27 | C26 | 111.8° | 109.5° |
| N6 | C27 | H27 | 108.9° | 109.5° |
| N6 | C27 | H28 | 108.9° | 109.5° |
| C27 | N6 | H40 | 106.7° | 120.0° |
| C30 | C31 | C37 | 118.7° | 119.4° |
| C30 | C31 | C32 | 118.5° | 119.3° |
| C19 | C20 | C21 | 109.5° | 109.0° |
| C19 | C20 | O18 | 110.2° | 109.6° |
| C20 | C19 | H17 | 108.9° | 109.5° |
| C20 | C19 | H18 | 108.9° | 109.5° |
| C19 | C20 | H19 | 108.8° | 109.6° |
| C28 | C33 | C32 | 119.8° | 121.0° |
| C28 | C33 | H31 | 120.1° | 119.5° |
| C36 | C37 | C31 | 120.7° | 119.7° |
| C37 | C36 | H34 | 119.7° | 119.5° |
| C36 | C37 | H35 | 119.7° | 120.2° |
| C27 | C26 | C25 | 111.1° | 109.5° |
| C27 | C26 | O21 | 110.0° | 109.5° |
| C27 | C26 | H26 | 108.2° | 109.5° |
| C26 | C27 | H27 | 108.9° | 109.4° |
| C26 | C27 | H28 | 108.9° | 109.5° |
| C25 | C26 | O21 | 109.8° | 109.5° |
| C26 | C25 | O20 | 108.9° | 109.4° |
| C26 | C25 | C24 | 112.2° | 109.5° |
| C26 | C25 | H25 | 108.3° | 109.4° |
| C25 | C26 | H26 | 108.2° | 109.5° |
| O21 | C26 | H26 | 109.5° | 109.5° |
| C26 | O21 | H46 | 109.5° | 114.0° |
| C37 | C31 | C32 | 122.8° | 121.3° |
| C31 | C37 | H35 | 119.6° | 120.2° |
| C31 | C32 | C33 | 121.2° | 119.7° |
| C31 | C32 | H30 | 119.4° | 120.2° |
| O20 | C25 | C24 | 109.3° | 109.5° |
| O20 | C25 | H25 | 109.8° | 109.5° |
| C25 | O20 | H45 | 109.5° | 114.0° |
| C25 | C24 | C21 | 114.8° | 109.5° |
| C25 | C24 | H24 | 105.4° | 109.5° |
| C24 | C25 | H25 | 108.4° | 109.5° |
| C24 | C21 | C20 | 108.7° | 109.2° |
| C24 | C21 | N5 | 111.0° | 109.5° |
| C24 | C21 | H20 | 108.4° | 109.6° |
| C21 | C24 | H24 | 105.4° | 109.5° |
| C33 | C32 | H30 | 119.4° | 120.1° |
| C32 | C33 | H31 | 120.1° | 119.5° |
| C21 | C20 | O18 | 109.2° | 109.6° |
| C20 | C21 | N5 | 111.0° | 109.5° |
| C21 | C20 | H19 | 108.8° | 109.5° |
| C20 | C21 | H20 | 108.4° | 109.5° |
| O18 | C20 | H19 | 110.2° | 109.6° |
| C20 | O18 | H43 | 109.5° | 114.0° |
| C21 | N5 | C22 | 123.2° | 120.0° |
| N5 | C21 | H20 | 109.3° | 109.5° |
| C21 | N5 | H39 | 118.4° | 120.0° |
| N5 | C22 | O19 | 122.0° | 120.0° |
| N5 | C22 | C23 | 116.0° | 120.0° |
| C22 | N5 | H39 | 118.4° | 120.0° |
| O19 | C22 | C23 | 122.0° | 120.0° |
| C22 | C23 | H21 | 109.5° | 109.5° |
| C22 | C23 | H22 | 109.5° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H5 | 109.4° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.4° | 109.5° |
| H17 | C19 | H18 | 109.4° | 109.6° |
| H21 | C23 | H22 | 109.5° | 109.4° |
| H21 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.4° | 109.4° |
| H27 | C27 | H28 | 109.5° | 109.4° |
| H36 | C9 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | O3 | N4 | 179.7° | 180.0° |
| C7 | C6 | N4 | C4 | 176.5° | 180.0° |
| C6 | C7 | H3 | H4 | 120.0° | 119.9° |
| C6 | C7 | H3 | H5 | 120.0° | 120.0° |
| C6 | C7 | H4 | H5 | 120.0° | 120.0° |
| C7 | C6 | N4 | H38 | 3.5° | 0.0° |
| O3 | C6 | N4 | C4 | 3.2° | 0.0° |
| O3 | C6 | C7 | H3 | 0.0° | 180.0° |
| O3 | C6 | C7 | H4 | 120.0° | 60.0° |
| O3 | C6 | C7 | H5 | 120.0° | 60.0° |
| O3 | C6 | N4 | H38 | 176.8° | 180.0° |
| C6 | N4 | C4 | H38 | 180.0° | 180.0° |
| C6 | N4 | C4 | C3 | 156.2° | 85.0° |
| C6 | N4 | C4 | C5 | 79.6° | 155.3° |
| N4 | C6 | C7 | H3 | 179.7° | 0.1° |
| N4 | C6 | C7 | H4 | 59.7° | 120.0° |
| N4 | C6 | C7 | H5 | 60.3° | 120.0° |
| C6 | N4 | C4 | H7 | 38.3° | 35.2° |
| N4 | C4 | C3 | C5 | 123.6° | 119.9° |
| N4 | C4 | C3 | H7 | 118.4° | 120.2° |
| N4 | C4 | C5 | H7 | 118.4° | 120.2° |
| N4 | C4 | C3 | O1 | 59.9° | 62.5° |
| N4 | C4 | C5 | O2 | 81.0° | 63.2° |
| N4 | C4 | C3 | O4 | 165.9° | 177.5° |
| N4 | C4 | C5 | C10 | 150.2° | 176.9° |
| N4 | C4 | C5 | H2 | 32.3° | 57.0° |
| N4 | C4 | C3 | H8 | 56.0° | 57.5° |
| C3 | C4 | C5 | H7 | 117.9° | 119.9° |
| C4 | C3 | O1 | O4 | 134.5° | 119.9° |
| C4 | C3 | O1 | H8 | 115.4° | 120.0° |
| C3 | C4 | C5 | O2 | 155.3° | 176.9° |
| C4 | C3 | O4 | H8 | 109.2° | 120.0° |
| C3 | C4 | C5 | C10 | 26.5° | 57.0° |
| C4 | C3 | O4 | C8 | 66.5° | 61.2° |
| C4 | C3 | O1 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H2 | 91.3° | 62.9° |
| C3 | C4 | N4 | H38 | 23.8° | 95.0° |
| C5 | C4 | C3 | O1 | 176.4° | 177.6° |
| C4 | C5 | O2 | C10 | 134.4° | 119.6° |
| C4 | C5 | O2 | H2 | 112.6° | 120.2° |
| C5 | C4 | C3 | O4 | 42.2° | 57.6° |
| C4 | C5 | C10 | H2 | 117.8° | 119.9° |
| C4 | C5 | C10 | C8 | 28.9° | 57.0° |
| C4 | C5 | C10 | O6 | 148.7° | 176.9° |
| C5 | C4 | C3 | H8 | 67.6° | 62.4° |
| C4 | C5 | C10 | H9 | 91.5° | 62.9° |
| C5 | C4 | N4 | H38 | 100.4° | 24.7° |
| C4 | C5 | O2 | H44 | 27.8° | 60.4° |
| O1 | C3 | O4 | H8 | 110.2° | 120.1° |
| O1 | C3 | O4 | C8 | 152.9° | 178.9° |
| O1 | C3 | C4 | H7 | 58.5° | 57.7° |
| O2 | C5 | C10 | H2 | 113.6° | 120.2° |
| O2 | C5 | C10 | C8 | 157.5° | 176.9° |
| O2 | C5 | C10 | O6 | 82.7° | 63.2° |
| O2 | C5 | C4 | H7 | 37.4° | 56.9° |
| O2 | C5 | C10 | H9 | 37.1° | 57.0° |
| C3 | O4 | C8 | C10 | 68.7° | 61.2° |
| C3 | O4 | C8 | C9 | 168.3° | 178.9° |
| O4 | C3 | O1 | H1 | 45.4° | 60.1° |
| C3 | O4 | C8 | H6 | 50.5° | 58.8° |
| O4 | C3 | C4 | H7 | 75.7° | 62.3° |
| C5 | C10 | C8 | O4 | 46.3° | 57.6° |
| C5 | C10 | C8 | O6 | 119.0° | 119.9° |
| C5 | C10 | C8 | H9 | 120.4° | 119.9° |
| C5 | C10 | O6 | H9 | 119.0° | 120.2° |
| C5 | C10 | C8 | C9 | 165.4° | 177.6° |
| C5 | C10 | O6 | C11 | 121.0° | 140.3° |
| C5 | C10 | C8 | H6 | 73.6° | 62.4° |
| C10 | C5 | C4 | H7 | 91.4° | 62.9° |
| C10 | C5 | O2 | H44 | 162.3° | 180.0° |
| O10 | S1 | O12 | O11 | 134.9° | 123.0° |
| O10 | S1 | O12 | O9 | 106.3° | 122.9° |
| O10 | S1 | O11 | O9 | 106.2° | 113.5° |
| O10 | S1 | O9 | C14 | 80.3° | 171.5° |
| O10 | S1 | O11 | H49 | 135.3° | 66.5° |
| O12 | S1 | O11 | O9 | 118.4° | 113.5° |
| O12 | S1 | O9 | C14 | 39.2° | 38.5° |
| O12 | S1 | O11 | H49 | 0.0° | 66.5° |
| O4 | C8 | C10 | C9 | 119.1° | 119.9° |
| O4 | C8 | C10 | H6 | 119.9° | 120.0° |
| O4 | C8 | C10 | O6 | 165.4° | 177.5° |
| O4 | C8 | C9 | H6 | 118.5° | 120.0° |
| O4 | C8 | C9 | O5 | 59.9° | 64.9° |
| C8 | O4 | C3 | H8 | 42.7° | 58.8° |
| O4 | C8 | C10 | H9 | 74.1° | 62.2° |
| O4 | C8 | C9 | H36 | 60.4° | 175.2° |
| O4 | C8 | C9 | H37 | 179.8° | 55.1° |
| O11 | S1 | O9 | C14 | 161.0° | 75.0° |
| S1 | O9 | C14 | C13 | 179.2° | 180.0° |
| S1 | O9 | C14 | H13 | 59.4° | 60.0° |
| S1 | O9 | C14 | H14 | 61.1° | 60.0° |
| O9 | S1 | O11 | H49 | 118.4° | 180.0° |
| C8 | C10 | O6 | H9 | 119.8° | 120.2° |
| C10 | C8 | C9 | H6 | 120.9° | 120.0° |
| C8 | C10 | O6 | C11 | 117.8° | 100.1° |
| C10 | C8 | C9 | O5 | 60.7° | 175.2° |
| C8 | C10 | C5 | H2 | 88.9° | 62.9° |
| C10 | C8 | C9 | H36 | 179.0° | 55.3° |
| C10 | C8 | C9 | H37 | 59.6° | 64.8° |
| O6 | C10 | C8 | C9 | 75.6° | 62.5° |
| C10 | O6 | C11 | O8 | 79.2° | 69.2° |
| C10 | O6 | C11 | C12 | 160.4° | 170.8° |
| O6 | C10 | C5 | H2 | 30.9° | 57.0° |
| O6 | C10 | C8 | H6 | 45.4° | 57.5° |
| C10 | O6 | C11 | H10 | 41.8° | 50.8° |
| O9 | C14 | C13 | H13 | 119.7° | 120.0° |
| O9 | C14 | C13 | H14 | 119.7° | 120.1° |
| O9 | C14 | C13 | O8 | 159.3° | 65.1° |
| O9 | C14 | C13 | C15 | 80.3° | 175.0° |
| O9 | C14 | C13 | H12 | 40.7° | 54.9° |
| O9 | C14 | H13 | H14 | 120.9° | 120.1° |
| C14 | C13 | O8 | C15 | 122.4° | 120.0° |
| C14 | C13 | O8 | H12 | 117.9° | 120.0° |
| C14 | C13 | O8 | C11 | 175.1° | 178.9° |
| C14 | C13 | C15 | H12 | 121.0° | 120.0° |
| C14 | C13 | C15 | O13 | 53.4° | 57.7° |
| C14 | C13 | C15 | C16 | 174.6° | 177.6° |
| C13 | C14 | H13 | H14 | 120.9° | 119.9° |
| C14 | C13 | C15 | H15 | 66.9° | 62.5° |
| C8 | C9 | O5 | H36 | 120.3° | 120.0° |
| C8 | C9 | O5 | H37 | 120.3° | 120.0° |
| C9 | C8 | C10 | H9 | 45.0° | 57.7° |
| C8 | C9 | H36 | H37 | 119.2° | 120.1° |
| C8 | C9 | O5 | H47 | 180.0° | 180.0° |
| C13 | O8 | C11 | O6 | 178.3° | 178.8° |
| O8 | C13 | C15 | H12 | 120.5° | 120.0° |
| C13 | O8 | C11 | C12 | 62.2° | 61.1° |
| O8 | C13 | C15 | O13 | 65.2° | 62.3° |
| O8 | C13 | C15 | C16 | 56.1° | 57.6° |
| C13 | O8 | C11 | H10 | 57.2° | 58.9° |
| O8 | C13 | C14 | H13 | 39.6° | 174.9° |
| O8 | C13 | C14 | H14 | 81.0° | 55.0° |
| O8 | C13 | C15 | H15 | 174.6° | 177.5° |
| O8 | C11 | O6 | C12 | 120.4° | 120.0° |
| O8 | C11 | O6 | H10 | 121.1° | 120.0° |
| C11 | O8 | C13 | C15 | 62.5° | 61.1° |
| O8 | C11 | C12 | H10 | 120.3° | 119.9° |
| O8 | C11 | C12 | C16 | 55.9° | 57.6° |
| O8 | C11 | C12 | O7 | 177.5° | 177.5° |
| O8 | C11 | C12 | H11 | 62.5° | 62.3° |
| C11 | O8 | C13 | H12 | 57.2° | 58.9° |
| O6 | C11 | C12 | H10 | 119.5° | 120.0° |
| O6 | C11 | C12 | C16 | 176.1° | 177.6° |
| O6 | C11 | C12 | O7 | 62.3° | 62.5° |
| C11 | O6 | C10 | H9 | 2.0° | 20.1° |
| O6 | C11 | C12 | H11 | 57.7° | 57.7° |
| C13 | C15 | O13 | C16 | 120.6° | 119.7° |
| C13 | C15 | O13 | H15 | 119.4° | 120.2° |
| C13 | C15 | C16 | H15 | 118.5° | 119.9° |
| C13 | C15 | C16 | C12 | 52.7° | 57.0° |
| C13 | C15 | C16 | O14 | 173.7° | 176.8° |
| C15 | C13 | C14 | H13 | 160.0° | 55.0° |
| C15 | C13 | C14 | H14 | 39.5° | 64.9° |
| C13 | C15 | C16 | H16 | 66.5° | 62.9° |
| C13 | C15 | O13 | H41 | 180.0° | 60.0° |
| C11 | C12 | C16 | C15 | 52.6° | 57.0° |
| C11 | C12 | C16 | O7 | 121.3° | 119.9° |
| C11 | C12 | C16 | H11 | 118.4° | 119.9° |
| C11 | C12 | O7 | H11 | 119.2° | 120.1° |
| C11 | C12 | C16 | O14 | 173.5° | 176.9° |
| C11 | C12 | C16 | H16 | 66.7° | 62.9° |
| C11 | C12 | O7 | H48 | 180.0° | 60.0° |
| O5 | C9 | C8 | H6 | 178.4° | 55.2° |
| O5 | C9 | H36 | H37 | 119.1° | 120.0° |
| O13 | C15 | C16 | H15 | 120.8° | 120.2° |
| O13 | C15 | C16 | C12 | 67.9° | 62.9° |
| O13 | C15 | C16 | O14 | 53.1° | 57.0° |
| O13 | C15 | C13 | H12 | 174.4° | 177.7° |
| O13 | C15 | C16 | H16 | 172.9° | 177.2° |
| C15 | C16 | C12 | O14 | 120.9° | 119.9° |
| C15 | C16 | C12 | H16 | 119.2° | 119.9° |
| C15 | C16 | C12 | O7 | 173.9° | 176.9° |
| C15 | C16 | O14 | H16 | 119.0° | 120.2° |
| C15 | C16 | O14 | C17 | 118.3° | 97.7° |
| C15 | C16 | C12 | H11 | 65.9° | 62.9° |
| C16 | C15 | C13 | H12 | 64.4° | 62.4° |
| C16 | C15 | O13 | H41 | 59.3° | 179.7° |
| C16 | C12 | O7 | H11 | 119.4° | 120.2° |
| C12 | C16 | O14 | H16 | 119.0° | 120.2° |
| C12 | C16 | O14 | C17 | 119.7° | 142.7° |
| C16 | C12 | C11 | H10 | 64.4° | 62.3° |
| C12 | C16 | C15 | H15 | 171.3° | 176.9° |
| C16 | C12 | O7 | H48 | 58.7° | 179.7° |
| O7 | C12 | C16 | O14 | 65.2° | 63.2° |
| O7 | C12 | C11 | H10 | 57.2° | 57.6° |
| O7 | C12 | C16 | H16 | 54.6° | 57.0° |
| C16 | O14 | C17 | C18 | 78.3° | 174.4° |
| C16 | O14 | C17 | O17 | 38.2° | 54.3° |
| C16 | O14 | C17 | C19 | 159.2° | 65.7° |
| O14 | C16 | C12 | H11 | 55.1° | 56.9° |
| O14 | C16 | C15 | H15 | 67.8° | 63.2° |
| O14 | C17 | C18 | O17 | 118.7° | 120.0° |
| O14 | C17 | C18 | C19 | 119.0° | 120.0° |
| O14 | C17 | O17 | C19 | 118.3° | 120.0° |
| O14 | C17 | C18 | O15 | 84.0° | 5.1° |
| O14 | C17 | C18 | O16 | 95.5° | 175.0° |
| O14 | C17 | O17 | C24 | 173.6° | 178.8° |
| O14 | C17 | C19 | C20 | 170.9° | 177.6° |
| C17 | O14 | C16 | H16 | 0.7° | 22.5° |
| O14 | C17 | C19 | H17 | 50.5° | 57.7° |
| O14 | C17 | C19 | H18 | 68.8° | 62.4° |
| O23 | S2 | C28 | C29 | 45.0° | 156.7° |
| O23 | S2 | N6 | C28 | 115.7° | 113.6° |
| O23 | S2 | N6 | O22 | 128.9° | 133.0° |
| O23 | S2 | C28 | O22 | 130.5° | 132.9° |
| O23 | S2 | N6 | C27 | 163.8° | 178.5° |
| O23 | S2 | C28 | C33 | 135.3° | 23.5° |
| O23 | S2 | N6 | H40 | 74.7° | 1.5° |
| C35 | C34 | C30 | H32 | 180.0° | 179.9° |
| C35 | C34 | C30 | C29 | 179.8° | 180.0° |
| C34 | C35 | C36 | H33 | 180.0° | 179.9° |
| C35 | C34 | C30 | C31 | 0.1° | 0.1° |
| C34 | C35 | C36 | C37 | 0.1° | 0.1° |
| C34 | C35 | C36 | H34 | 179.9° | 179.9° |
| C34 | C30 | C29 | C31 | 179.9° | 179.9° |
| C34 | C30 | C29 | C28 | 179.9° | 179.9° |
| C30 | C34 | C35 | C36 | 0.1° | 0.1° |
| C34 | C30 | C31 | C37 | 0.1° | 0.1° |
| C34 | C30 | C31 | C32 | 179.9° | 179.9° |
| C34 | C30 | C29 | H29 | 0.1° | 0.1° |
| C30 | C34 | C35 | H33 | 179.9° | 179.9° |
| C18 | C17 | O17 | C19 | 123.2° | 119.9° |
| C17 | C18 | O15 | O16 | 179.6° | 179.9° |
| C18 | C17 | O17 | C24 | 67.9° | 58.8° |
| C18 | C17 | C19 | C20 | 68.7° | 62.4° |
| C18 | C17 | C19 | H17 | 171.0° | 177.7° |
| C18 | C17 | C19 | H18 | 51.7° | 57.6° |
| C17 | C18 | O16 | H42 | 179.5° | 180.0° |
| O17 | C17 | C18 | O15 | 157.3° | 115.0° |
| O17 | C17 | C18 | O16 | 23.1° | 65.0° |
| O17 | C17 | C19 | C20 | 50.8° | 57.6° |
| C17 | O17 | C24 | C25 | 169.4° | 178.9° |
| C17 | O17 | C24 | C21 | 60.1° | 61.2° |
| O17 | C17 | C19 | H17 | 69.5° | 62.3° |
| O17 | C17 | C19 | H18 | 171.2° | 177.5° |
| C17 | O17 | C24 | H24 | 53.5° | 58.9° |
| C19 | C17 | C18 | O15 | 35.0° | 125.1° |
| C19 | C17 | C18 | O16 | 145.4° | 55.0° |
| C19 | C17 | O17 | C24 | 55.3° | 61.1° |
| C17 | C19 | C20 | H17 | 120.3° | 119.8° |
| C17 | C19 | C20 | H18 | 120.4° | 120.0° |
| C17 | C19 | C20 | C21 | 52.8° | 56.9° |
| C17 | C19 | C20 | O18 | 173.0° | 176.8° |
| C17 | C19 | H17 | H18 | 119.0° | 120.1° |
| C17 | C19 | C20 | H19 | 66.0° | 62.9° |
| C30 | C29 | C28 | H29 | 180.0° | 179.9° |
| C30 | C29 | C28 | S2 | 179.6° | 179.7° |
| C30 | C29 | C28 | C33 | 0.0° | 0.1° |
| C29 | C30 | C31 | C37 | 179.9° | 179.9° |
| C29 | C30 | C31 | C32 | 0.0° | 0.1° |
| C29 | C30 | C34 | H32 | 0.2° | 0.1° |
| C29 | C28 | S2 | N6 | 69.8° | 89.7° |
| C29 | C28 | S2 | C33 | 179.7° | 179.8° |
| C29 | C28 | S2 | O22 | 175.5° | 23.8° |
| C28 | C29 | C30 | C31 | 0.0° | 0.1° |
| C29 | C28 | C33 | C32 | 0.0° | 0.0° |
| C29 | C28 | C33 | H31 | 179.9° | 180.0° |
| N6 | S2 | C28 | O22 | 114.7° | 113.5° |
| S2 | N6 | C27 | H40 | 121.5° | 180.0° |
| N6 | S2 | C28 | C33 | 109.8° | 90.0° |
| S2 | N6 | C27 | C26 | 162.0° | 165.0° |
| S2 | N6 | C27 | H27 | 41.7° | 45.0° |
| S2 | N6 | C27 | H28 | 77.6° | 75.0° |
| C28 | S2 | N6 | C27 | 80.6° | 65.0° |
| S2 | C28 | C33 | C32 | 179.6° | 179.7° |
| S2 | C28 | C29 | H29 | 0.3° | 0.2° |
| S2 | C28 | C33 | H31 | 0.4° | 0.2° |
| C28 | S2 | N6 | H40 | 41.0° | 115.0° |
| O22 | S2 | N6 | C27 | 34.8° | 48.5° |
| O22 | S2 | C28 | C33 | 4.9° | 156.5° |
| O22 | S2 | N6 | H40 | 156.4° | 131.5° |
| O15 | C18 | O16 | H42 | 0.0° | 0.1° |
| O17 | C24 | C25 | C26 | 58.6° | 55.5° |
| O17 | C24 | C25 | O20 | 62.3° | 64.5° |
| O17 | C24 | C25 | C21 | 128.0° | 119.9° |
| O17 | C24 | C25 | H24 | 116.5° | 120.0° |
| O17 | C24 | C21 | H24 | 114.3° | 120.0° |
| O17 | C24 | C21 | C20 | 59.3° | 57.6° |
| O17 | C24 | C21 | N5 | 178.4° | 177.5° |
| O17 | C24 | C21 | H20 | 58.3° | 62.3° |
| O17 | C24 | C25 | H25 | 178.2° | 175.4° |
| C35 | C36 | C37 | H34 | 180.0° | 180.0° |
| C35 | C36 | C37 | C31 | 0.0° | 0.1° |
| C36 | C35 | C34 | H32 | 179.9° | 180.0° |
| C35 | C36 | C37 | H35 | 180.0° | 179.9° |
| N6 | C27 | C26 | H27 | 120.3° | 120.0° |
| N6 | C27 | C26 | H28 | 120.4° | 120.1° |
| N6 | C27 | C26 | C25 | 106.0° | 175.0° |
| N6 | C27 | C26 | O21 | 132.2° | 65.0° |
| N6 | C27 | C26 | H26 | 12.6° | 55.0° |
| N6 | C27 | H27 | H28 | 118.9° | 120.0° |
| C30 | C31 | C37 | C36 | 0.1° | 0.1° |
| C30 | C31 | C37 | C32 | 179.9° | 180.0° |
| C30 | C31 | C32 | C33 | 0.0° | 0.0° |
| C31 | C30 | C29 | H29 | 180.0° | 180.0° |
| C30 | C31 | C32 | H30 | 180.0° | 180.0° |
| C31 | C30 | C34 | H32 | 179.9° | 180.0° |
| C30 | C31 | C37 | H35 | 179.9° | 179.9° |
| C19 | C20 | C21 | C24 | 56.6° | 57.0° |
| C19 | C20 | C21 | O18 | 120.8° | 119.9° |
| C19 | C20 | C21 | H19 | 118.9° | 119.9° |
| C19 | C20 | O18 | H19 | 120.1° | 120.2° |
| C19 | C20 | C21 | N5 | 179.0° | 176.9° |
| C20 | C19 | H17 | H18 | 119.0° | 120.2° |
| C19 | C20 | C21 | H20 | 61.0° | 63.0° |
| C19 | C20 | O18 | H43 | 180.0° | 60.0° |
| C28 | C33 | C32 | C31 | 0.0° | 0.0° |
| C28 | C33 | C32 | H31 | 180.0° | 180.0° |
| C33 | C28 | C29 | H29 | 180.0° | 180.0° |
| C28 | C33 | C32 | H30 | 180.0° | 180.0° |
| C36 | C37 | C31 | H35 | 180.0° | 180.0° |
| C36 | C37 | C31 | C32 | 179.8° | 180.0° |
| C37 | C36 | C35 | H33 | 179.9° | 180.0° |
| C27 | C26 | C25 | O21 | 121.9° | 120.0° |
| C27 | C26 | C25 | H26 | 118.7° | 120.0° |
| C27 | C26 | O21 | H26 | 118.9° | 120.0° |
| C27 | C26 | C25 | O20 | 42.3° | 62.2° |
| C27 | C26 | C25 | C24 | 163.4° | 177.8° |
| C27 | C26 | C25 | H25 | 77.0° | 57.9° |
| C26 | C27 | H27 | H28 | 118.9° | 120.0° |
| C26 | C27 | N6 | H40 | 76.4° | 15.0° |
| C27 | C26 | O21 | H46 | 180.0° | 60.0° |
| C25 | C26 | O21 | H26 | 118.6° | 120.0° |
| C26 | C25 | O20 | C24 | 122.9° | 120.0° |
| C26 | C25 | O20 | H25 | 118.4° | 120.0° |
| C26 | C25 | C24 | H25 | 119.6° | 119.9° |
| C26 | C25 | C24 | C21 | 173.4° | 175.4° |
| C26 | C25 | C24 | H24 | 57.9° | 64.6° |
| C25 | C26 | C27 | H27 | 133.6° | 55.0° |
| C25 | C26 | C27 | H28 | 14.3° | 65.0° |
| C26 | C25 | O20 | H45 | 180.0° | 60.0° |
| C25 | C26 | O21 | H46 | 57.4° | 60.0° |
| O21 | C26 | C25 | O20 | 164.2° | 177.9° |
| O21 | C26 | C25 | C24 | 74.7° | 57.8° |
| O21 | C26 | C25 | H25 | 44.9° | 62.1° |
| O21 | C26 | C27 | H27 | 11.9° | 175.0° |
| O21 | C26 | C27 | H28 | 107.4° | 55.0° |
| C37 | C31 | C32 | C33 | 179.9° | 180.0° |
| C37 | C31 | C32 | H30 | 0.1° | 0.0° |
| C31 | C37 | C36 | H34 | 180.0° | 180.0° |
| C31 | C32 | C33 | H30 | 180.0° | 180.0° |
| C31 | C32 | C33 | H31 | 179.9° | 180.0° |
| C32 | C31 | C37 | H35 | 0.1° | 0.1° |
| O20 | C25 | C24 | H25 | 119.6° | 120.1° |
| O20 | C25 | C24 | C21 | 65.7° | 55.4° |
| O20 | C25 | C24 | H24 | 178.7° | 175.4° |
| O20 | C25 | C26 | H26 | 76.3° | 57.9° |
| C25 | C24 | C21 | H24 | 115.5° | 120.1° |
| C25 | C24 | C21 | C20 | 170.6° | 177.6° |
| C25 | C24 | C21 | N5 | 48.2° | 62.6° |
| C25 | C24 | C21 | H20 | 71.9° | 57.6° |
| C24 | C25 | C26 | H26 | 44.7° | 62.2° |
| C24 | C25 | O20 | H45 | 57.1° | 60.0° |
| C24 | C21 | C20 | N5 | 122.3° | 119.9° |
| C24 | C21 | C20 | H20 | 117.6° | 120.0° |
| C24 | C21 | C20 | O18 | 177.4° | 176.9° |
| C24 | C21 | N5 | H20 | 119.5° | 120.2° |
| C24 | C21 | N5 | C22 | 139.5° | 155.3° |
| C24 | C21 | C20 | H19 | 62.2° | 62.9° |
| C21 | C24 | C25 | H25 | 53.8° | 64.7° |
| C24 | C21 | N5 | H39 | 40.5° | 24.7° |
| C21 | C20 | O18 | H19 | 119.5° | 120.2° |
| C20 | C21 | N5 | H20 | 119.5° | 120.1° |
| C20 | C21 | N5 | C22 | 99.5° | 85.0° |
| C21 | C20 | C19 | H17 | 67.5° | 62.9° |
| C21 | C20 | C19 | H18 | 173.2° | 176.9° |
| C20 | C21 | C24 | H24 | 55.0° | 62.4° |
| C20 | C21 | N5 | H39 | 80.5° | 95.0° |
| C21 | C20 | O18 | H43 | 59.7° | 179.5° |
| O18 | C20 | C21 | N5 | 60.2° | 63.2° |
| O18 | C20 | C19 | H17 | 52.7° | 57.0° |
| O18 | C20 | C19 | H18 | 66.6° | 63.2° |
| O18 | C20 | C21 | H20 | 59.8° | 56.9° |
| C21 | N5 | C22 | H39 | 180.0° | 180.0° |
| C21 | N5 | C22 | O19 | 3.3° | 0.0° |
| C21 | N5 | C22 | C23 | 176.3° | 180.0° |
| N5 | C21 | C20 | H19 | 60.1° | 57.0° |
| N5 | C21 | C24 | H24 | 67.3° | 57.5° |
| N5 | C22 | O19 | C23 | 179.6° | 180.0° |
| C22 | N5 | C21 | H20 | 20.0° | 35.1° |
| N5 | C22 | C23 | H21 | 179.6° | 0.1° |
| N5 | C22 | C23 | H22 | 60.4° | 120.0° |
| N5 | C22 | C23 | H23 | 59.6° | 120.0° |
| O19 | C22 | C23 | H21 | 0.0° | 180.0° |
| O19 | C22 | C23 | H22 | 120.0° | 60.0° |
| O19 | C22 | C23 | H23 | 120.0° | 60.0° |
| O19 | C22 | N5 | H39 | 176.7° | 180.0° |
| C22 | C23 | H21 | H22 | 120.0° | 120.0° |
| C22 | C23 | H21 | H23 | 120.0° | 120.1° |
| C22 | C23 | H22 | H23 | 120.0° | 120.0° |
| C23 | C22 | N5 | H39 | 3.7° | 0.0° |
| H1 | O1 | C3 | H8 | 64.6° | 60.0° |
| H2 | C5 | C4 | H7 | 150.8° | 177.2° |
| H2 | C5 | C10 | H9 | 150.7° | 177.3° |
| H2 | C5 | O2 | H44 | 84.8° | 59.8° |
| H3 | C7 | H4 | H5 | 119.9° | 120.1° |
| H6 | C8 | C10 | H9 | 166.0° | 177.7° |
| H6 | C8 | C9 | H36 | 58.1° | 64.8° |
| H6 | C8 | C9 | H37 | 61.3° | 175.2° |
| H7 | C4 | C3 | H8 | 174.4° | 177.7° |
| H7 | C4 | N4 | H38 | 141.7° | 144.8° |
| H10 | C11 | C12 | H11 | 177.2° | 177.7° |
| H11 | C12 | C16 | H16 | 174.9° | 177.2° |
| H11 | C12 | O7 | H48 | 60.8° | 60.1° |
| H12 | C13 | C14 | H13 | 79.0° | 65.1° |
| H12 | C13 | C14 | H14 | 160.4° | 175.0° |
| H12 | C13 | C15 | H15 | 54.2° | 57.5° |
| H15 | C15 | C16 | H16 | 52.1° | 57.0° |
| H15 | C15 | O13 | H41 | 60.7° | 60.1° |
| H17 | C19 | C20 | H19 | 173.6° | 177.2° |
| H18 | C19 | C20 | H19 | 54.3° | 57.1° |
| H19 | C20 | C21 | H20 | 179.8° | 177.1° |
| H19 | C20 | O18 | H43 | 59.9° | 60.3° |
| H20 | C21 | C24 | H24 | 172.6° | 177.7° |
| H20 | C21 | N5 | H39 | 160.0° | 144.9° |
| H21 | C23 | H22 | H23 | 120.0° | 120.0° |
| H24 | C24 | C25 | H25 | 61.7° | 55.4° |
| H25 | C25 | C26 | H26 | 164.3° | 177.9° |
| H25 | C25 | O20 | H45 | 61.6° | 180.0° |
| H26 | C26 | C27 | H27 | 107.8° | 65.0° |
| H26 | C26 | C27 | H28 | 132.9° | 175.1° |
| H26 | C26 | O21 | H46 | 61.2° | 180.0° |
| H27 | C27 | N6 | H40 | 163.2° | 135.0° |
| H28 | C27 | N6 | H40 | 43.9° | 105.0° |
| H30 | C32 | C33 | H31 | 0.0° | 0.0° |
| H32 | C34 | C35 | H33 | 0.1° | 0.0° |
| H33 | C35 | C36 | H34 | 0.1° | 0.0° |
| H34 | C36 | C37 | H35 | 0.0° | 0.1° |
| H36 | C9 | O5 | H47 | 59.7° | 60.1° |
| H37 | C9 | O5 | H47 | 59.7° | 59.9° |
