A1JJ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C36 | sing | 1.32Å | 1.34Å | Aromatic |
| N6 | C35 | doub | 1.33Å | 1.36Å | Aromatic |
| C36 | N7 | doub | 1.32Å | 1.32Å | Aromatic |
| N5 | C35 | sing | 1.38Å | 1.33Å | |
| C35 | C34 | sing | 1.41Å | 1.40Å | Aromatic |
| N7 | C37 | sing | 1.33Å | 1.34Å | Aromatic |
| C34 | C37 | doub | 1.40Å | 1.38Å | Aromatic |
| C34 | N4 | sing | 1.35Å | 1.38Å | Aromatic |
| C37 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| O14 | C38 | sing | 1.43Å | 1.41Å | |
| O18 | P3 | doub | 1.48Å | 1.52Å | |
| N4 | C33 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C32 | sing | 1.47Å | 1.46Å | |
| N3 | C33 | sing | 1.36Å | 1.37Å | Aromatic |
| C38 | C32 | sing | 1.54Å | 1.53Å | |
| C38 | C39 | sing | 1.55Å | 1.53Å | |
| C32 | O13 | sing | 1.44Å | 1.44Å | |
| O16 | P3 | sing | 1.61Å | 1.52Å | |
| P3 | O15 | sing | 1.61Å | 1.63Å | |
| P3 | O17 | sing | 1.61Å | 1.52Å | |
| O15 | C39 | sing | 1.43Å | 1.44Å | |
| C39 | C31 | sing | 1.55Å | 1.54Å | |
| O13 | C31 | sing | 1.44Å | 1.44Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | O12 | sing | 1.43Å | 1.45Å | |
| O12 | P2 | sing | 1.61Å | 1.60Å | |
| P2 | O9 | sing | 1.61Å | 1.59Å | |
| P2 | O10 | doub | 1.48Å | 1.49Å | |
| P2 | O11 | sing | 1.61Å | 1.49Å | |
| O9 | P1 | sing | 1.61Å | 1.60Å | |
| O7 | P1 | doub | 1.48Å | 1.49Å | |
| P1 | O8 | sing | 1.61Å | 1.49Å | |
| P1 | O6 | sing | 1.61Å | 1.60Å | |
| O6 | C29 | sing | 1.43Å | 1.43Å | |
| O5 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C29 | C26 | sing | 1.53Å | 1.52Å | |
| N2 | C24 | sing | 1.35Å | 1.34Å | |
| N2 | C23 | sing | 1.46Å | 1.46Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C24 | O4 | doub | 1.21Å | 1.25Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| F2 | C15 | sing | 1.40Å | 1.34Å | |
| O3 | C21 | doub | 1.21Å | 1.24Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C15 | F1 | sing | 1.40Å | 1.32Å | |
| C15 | F3 | sing | 1.40Å | 1.33Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | N1 | sing | 1.35Å | 1.34Å | |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| N1 | C20 | sing | 1.46Å | 1.47Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | S2 | sing | 1.81Å | 1.84Å | |
| S2 | C18 | sing | 1.71Å | 1.75Å | |
| C8 | O1 | sing | 1.43Å | 1.44Å | |
| C7 | O1 | sing | 1.36Å | 1.38Å | |
| C7 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | S1 | sing | 1.76Å | 1.78Å | |
| S1 | C2 | sing | 1.81Å | 1.85Å | |
| C18 | C2 | sing | 1.51Å | 1.52Å | |
| C18 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| O5 | H28 | sing | 0.97Å | 0.95Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| O8 | H37 | sing | 0.97Å | 0.95Å | |
| O11 | H38 | sing | 0.97Å | 0.95Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.08Å | 1.08Å | |
| N5 | H44 | sing | 0.97Å | 1.00Å | |
| N5 | H45 | sing | 0.97Å | 1.00Å | |
| C36 | H46 | sing | 1.08Å | 1.08Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| O14 | H48 | sing | 0.97Å | 0.95Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| O16 | H50 | sing | 0.97Å | 0.95Å | |
| O17 | H51 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | N6 | C35 | 119.1° | 121.2° |
| N6 | C36 | N7 | 128.8° | 122.5° |
| N6 | C36 | H46 | 115.6° | 118.8° |
| N6 | C35 | N5 | 119.0° | 120.8° |
| N6 | C35 | C34 | 117.2° | 118.5° |
| C36 | N7 | C37 | 110.9° | 120.6° |
| N7 | C36 | H46 | 115.6° | 118.7° |
| N5 | C35 | C34 | 123.7° | 120.7° |
| C35 | N5 | H44 | 109.5° | 120.0° |
| C35 | N5 | H45 | 109.4° | 120.0° |
| C35 | C34 | C37 | 117.1° | 118.1° |
| C35 | C34 | N4 | 132.0° | 134.7° |
| N7 | C37 | C34 | 126.8° | 119.1° |
| N7 | C37 | N3 | 127.4° | 134.9° |
| C37 | C34 | N4 | 110.9° | 107.2° |
| C34 | C37 | N3 | 105.8° | 106.0° |
| C34 | N4 | C33 | 103.8° | 109.4° |
| C37 | N3 | C32 | 123.6° | 126.2° |
| C37 | N3 | C33 | 105.9° | 107.5° |
| O14 | C38 | C32 | 108.1° | 110.5° |
| O14 | C38 | C39 | 113.1° | 110.5° |
| O14 | C38 | H47 | 112.7° | 110.6° |
| C38 | O14 | H48 | 109.5° | 113.9° |
| O18 | P3 | O16 | 117.5° | 109.5° |
| O18 | P3 | O15 | 110.2° | 109.4° |
| O18 | P3 | O17 | 104.3° | 109.4° |
| N4 | C33 | N3 | 113.7° | 110.0° |
| N4 | C33 | H43 | 123.1° | 125.0° |
| C32 | N3 | C33 | 130.2° | 126.3° |
| N3 | C32 | C38 | 116.6° | 110.4° |
| N3 | C32 | O13 | 108.3° | 110.3° |
| N3 | C32 | H42 | 107.7° | 110.4° |
| N3 | C33 | H43 | 123.2° | 125.0° |
| C32 | C38 | C39 | 100.4° | 104.1° |
| C38 | C32 | O13 | 108.9° | 104.8° |
| C38 | C32 | H42 | 107.0° | 110.5° |
| C32 | C38 | H47 | 110.9° | 110.5° |
| C38 | C39 | O15 | 109.6° | 110.5° |
| C38 | C39 | C31 | 98.5° | 104.0° |
| C39 | C38 | H47 | 110.9° | 110.5° |
| C38 | C39 | H49 | 110.4° | 110.5° |
| C32 | O13 | C31 | 105.1° | 105.3° |
| O13 | C32 | H42 | 108.1° | 110.3° |
| O16 | P3 | O15 | 102.8° | 109.5° |
| O16 | P3 | O17 | 111.3° | 109.5° |
| P3 | O16 | H50 | 109.5° | 114.0° |
| O15 | P3 | O17 | 110.9° | 109.5° |
| P3 | O15 | C39 | 124.6° | 123.0° |
| P3 | O17 | H51 | 109.5° | 114.1° |
| O15 | C39 | C31 | 115.7° | 110.4° |
| O15 | C39 | H49 | 111.7° | 110.6° |
| C39 | C31 | O13 | 102.4° | 104.9° |
| C39 | C31 | C30 | 121.4° | 110.4° |
| C39 | C31 | H41 | 106.7° | 110.4° |
| C31 | C39 | H49 | 110.2° | 110.6° |
| O13 | C31 | C30 | 110.8° | 110.4° |
| O13 | C31 | H41 | 107.8° | 110.4° |
| C31 | C30 | O12 | 108.7° | 109.5° |
| C31 | C30 | H39 | 109.7° | 109.5° |
| C31 | C30 | H40 | 109.7° | 109.5° |
| C30 | C31 | H41 | 107.0° | 110.3° |
| C30 | O12 | P2 | 119.6° | 123.0° |
| O12 | C30 | H39 | 109.7° | 109.5° |
| O12 | C30 | H40 | 109.6° | 109.5° |
| O12 | P2 | O9 | 94.8° | 109.5° |
| O12 | P2 | O10 | 112.0° | 109.5° |
| O12 | P2 | O11 | 108.1° | 109.5° |
| O9 | P2 | O10 | 120.4° | 109.5° |
| O9 | P2 | O11 | 109.6° | 109.4° |
| P2 | O9 | P1 | 130.8° | 134.1° |
| O10 | P2 | O11 | 110.5° | 109.4° |
| P2 | O11 | H38 | 109.5° | 114.0° |
| O9 | P1 | O7 | 107.4° | 109.5° |
| O9 | P1 | O8 | 102.2° | 109.5° |
| O9 | P1 | O6 | 99.4° | 109.5° |
| O7 | P1 | O8 | 129.3° | 109.4° |
| O7 | P1 | O6 | 99.3° | 109.5° |
| O8 | P1 | O6 | 115.3° | 109.5° |
| P1 | O8 | H37 | 109.5° | 114.0° |
| P1 | O6 | C29 | 121.0° | 123.0° |
| O6 | C29 | C26 | 111.5° | 109.5° |
| O6 | C29 | H35 | 109.0° | 109.5° |
| O6 | C29 | H36 | 109.0° | 109.5° |
| O5 | C25 | C26 | 105.7° | 109.5° |
| O5 | C25 | C24 | 112.6° | 109.5° |
| O5 | C25 | H27 | 109.1° | 109.5° |
| C25 | O5 | H28 | 109.5° | 114.0° |
| C26 | C25 | C24 | 113.9° | 109.4° |
| C25 | C26 | C29 | 111.6° | 109.5° |
| C25 | C26 | C27 | 109.3° | 109.5° |
| C25 | C26 | C28 | 112.2° | 109.5° |
| C26 | C25 | H27 | 107.5° | 109.5° |
| C25 | C24 | N2 | 115.2° | 120.0° |
| C25 | C24 | O4 | 120.6° | 120.0° |
| C24 | C25 | H27 | 107.8° | 109.5° |
| C29 | C26 | C27 | 111.0° | 109.4° |
| C29 | C26 | C28 | 101.5° | 109.5° |
| C26 | C29 | H35 | 108.9° | 109.5° |
| C26 | C29 | H36 | 109.0° | 109.5° |
| C24 | N2 | C23 | 124.3° | 120.0° |
| N2 | C24 | O4 | 124.2° | 120.0° |
| C24 | N2 | H12 | 117.9° | 120.0° |
| N2 | C23 | C22 | 113.6° | 109.5° |
| C23 | N2 | H12 | 117.9° | 120.0° |
| N2 | C23 | H25 | 108.4° | 109.5° |
| N2 | C23 | H26 | 108.4° | 109.5° |
| C27 | C26 | C28 | 111.1° | 109.4° |
| C26 | C27 | H29 | 109.5° | 109.5° |
| C26 | C27 | H30 | 109.5° | 109.5° |
| C26 | C27 | H31 | 109.5° | 109.5° |
| C26 | C28 | H32 | 109.5° | 109.4° |
| C26 | C28 | H33 | 109.5° | 109.5° |
| C26 | C28 | H34 | 109.4° | 109.4° |
| C23 | C22 | C21 | 114.9° | 109.5° |
| C23 | C22 | H23 | 108.1° | 109.5° |
| C23 | C22 | H24 | 108.1° | 109.5° |
| C22 | C23 | H25 | 108.4° | 109.4° |
| C22 | C23 | H26 | 108.4° | 109.5° |
| F2 | C15 | C14 | 113.3° | 109.5° |
| F2 | C15 | F1 | 108.1° | 109.5° |
| F2 | C15 | F3 | 105.4° | 109.5° |
| O3 | C21 | C22 | 121.2° | 120.0° |
| O3 | C21 | N1 | 122.0° | 120.0° |
| C22 | C21 | N1 | 116.8° | 120.0° |
| C21 | C22 | H23 | 108.1° | 109.5° |
| C21 | C22 | H24 | 108.1° | 109.4° |
| C14 | C15 | F1 | 111.8° | 109.5° |
| C14 | C15 | F3 | 113.1° | 109.5° |
| C15 | C14 | C13 | 120.3° | 120.0° |
| C15 | C14 | C16 | 119.7° | 120.0° |
| F1 | C15 | F3 | 104.5° | 109.5° |
| C14 | C13 | C12 | 119.4° | 120.0° |
| C13 | C14 | C16 | 120.0° | 120.0° |
| C14 | C13 | H10 | 120.3° | 120.0° |
| C13 | C12 | C11 | 120.3° | 120.0° |
| C13 | C12 | H9 | 119.9° | 120.0° |
| C12 | C13 | H10 | 120.3° | 120.0° |
| C21 | N1 | C20 | 121.8° | 120.0° |
| C21 | N1 | H11 | 119.1° | 120.0° |
| C14 | C16 | C10 | 121.0° | 120.0° |
| C14 | C16 | H17 | 119.5° | 120.0° |
| C12 | C11 | C10 | 120.8° | 120.0° |
| C12 | C11 | H4 | 119.6° | 120.0° |
| C11 | C12 | H9 | 119.9° | 120.0° |
| C16 | C10 | C11 | 118.5° | 120.0° |
| C16 | C10 | C9 | 119.6° | 120.0° |
| C10 | C16 | H17 | 119.5° | 120.0° |
| C11 | C10 | C9 | 121.9° | 120.0° |
| C10 | C11 | H4 | 119.6° | 120.0° |
| C10 | C9 | C8 | 109.6° | 109.4° |
| C10 | C9 | H7 | 109.5° | 109.5° |
| C10 | C9 | H8 | 109.4° | 109.5° |
| C9 | C8 | O1 | 108.4° | 109.4° |
| C9 | C8 | H5 | 109.7° | 109.5° |
| C9 | C8 | H6 | 109.7° | 109.5° |
| C8 | C9 | H7 | 109.4° | 109.5° |
| C8 | C9 | H8 | 109.4° | 109.5° |
| N1 | C20 | C19 | 113.1° | 109.5° |
| C20 | N1 | H11 | 119.1° | 120.0° |
| N1 | C20 | H21 | 108.5° | 109.5° |
| N1 | C20 | H22 | 108.5° | 109.4° |
| C6 | C5 | C4 | 121.1° | 120.1° |
| C5 | C6 | C7 | 119.6° | 120.1° |
| C6 | C5 | H2 | 119.4° | 119.9° |
| C5 | C6 | H3 | 120.2° | 119.9° |
| C5 | C4 | C3 | 120.1° | 120.1° |
| C5 | C4 | H1 | 120.0° | 120.0° |
| C4 | C5 | H2 | 119.5° | 120.0° |
| C20 | C19 | S2 | 117.2° | 109.5° |
| C20 | C19 | H19 | 107.5° | 109.5° |
| C20 | C19 | H20 | 107.5° | 109.5° |
| C19 | C20 | H21 | 108.5° | 109.4° |
| C19 | C20 | H22 | 108.5° | 109.5° |
| C6 | C7 | O1 | 114.9° | 120.0° |
| C6 | C7 | C17 | 120.1° | 120.0° |
| C7 | C6 | H3 | 120.2° | 120.0° |
| C4 | C3 | C17 | 119.2° | 119.9° |
| C4 | C3 | S1 | 115.7° | 120.0° |
| C3 | C4 | H1 | 120.0° | 120.0° |
| C19 | S2 | C18 | 100.5° | 100.0° |
| S2 | C19 | H19 | 107.5° | 109.5° |
| S2 | C19 | H20 | 107.5° | 109.4° |
| S2 | C18 | C2 | 116.3° | 120.0° |
| S2 | C18 | O2 | 119.1° | 120.0° |
| C8 | O1 | C7 | 119.0° | 117.0° |
| O1 | C8 | H5 | 109.7° | 109.5° |
| O1 | C8 | H6 | 109.7° | 109.5° |
| O1 | C7 | C17 | 125.0° | 120.0° |
| C7 | C17 | C3 | 119.9° | 119.9° |
| C7 | C17 | H18 | 120.1° | 120.1° |
| C17 | C3 | S1 | 125.0° | 120.1° |
| C3 | C17 | H18 | 120.0° | 120.1° |
| C3 | S1 | C2 | 107.9° | 103.0° |
| S1 | C2 | C18 | 113.8° | 109.4° |
| S1 | C2 | C1 | 114.0° | 109.5° |
| S1 | C2 | H16 | 104.4° | 109.5° |
| C2 | C18 | O2 | 124.5° | 120.0° |
| C18 | C2 | C1 | 108.9° | 109.5° |
| C18 | C2 | H16 | 107.6° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C1 | C2 | H16 | 107.7° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.4° |
| H13 | C1 | H14 | 109.4° | 109.5° |
| H13 | C1 | H15 | 109.4° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H29 | C27 | H31 | 109.4° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H32 | C28 | H33 | 109.4° | 109.5° |
| H32 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H35 | C29 | H36 | 109.5° | 109.4° |
| H39 | C30 | H40 | 109.5° | 109.4° |
| H44 | N5 | H45 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C36 | N7 | H46 | 180.0° | 179.9° |
| C36 | N6 | C35 | N5 | 178.7° | 180.0° |
| C36 | N6 | C35 | C34 | 2.6° | 0.0° |
| N6 | C36 | N7 | C37 | 0.1° | 0.0° |
| C35 | N6 | C36 | N7 | 1.8° | 0.1° |
| N6 | C35 | N5 | C34 | 175.9° | 180.0° |
| N6 | C35 | C34 | C37 | 1.8° | 0.0° |
| N6 | C35 | C34 | N4 | 178.6° | 179.5° |
| N6 | C35 | N5 | H44 | 0.0° | 180.0° |
| N6 | C35 | N5 | H45 | 120.0° | 0.1° |
| C35 | N6 | C36 | H46 | 178.2° | 180.0° |
| C36 | N7 | C37 | C34 | 0.7° | 0.0° |
| C36 | N7 | C37 | N3 | 179.6° | 180.0° |
| N5 | C35 | C34 | C37 | 177.8° | 180.0° |
| N5 | C35 | C34 | N4 | 2.7° | 0.5° |
| C35 | N5 | H44 | H45 | 120.0° | 179.9° |
| C35 | C34 | C37 | N7 | 0.2° | 0.1° |
| C35 | C34 | C37 | N4 | 179.6° | 179.7° |
| C35 | C34 | C37 | N3 | 179.6° | 180.0° |
| C35 | C34 | N4 | C33 | 179.5° | 179.8° |
| C34 | C35 | N5 | H44 | 175.9° | 0.0° |
| C34 | C35 | N5 | H45 | 55.9° | 179.9° |
| N7 | C37 | C34 | N3 | 179.8° | 180.0° |
| N7 | C37 | C34 | N4 | 179.8° | 179.6° |
| N7 | C37 | N3 | C32 | 6.1° | 0.2° |
| N7 | C37 | N3 | C33 | 179.3° | 179.5° |
| C37 | N7 | C36 | H46 | 179.9° | 180.0° |
| C37 | C34 | N4 | C33 | 0.9° | 0.2° |
| C34 | C37 | N3 | C32 | 174.1° | 179.9° |
| C34 | C37 | N3 | C33 | 0.9° | 0.4° |
| N4 | C34 | C37 | N3 | 0.0° | 0.4° |
| C34 | N4 | C33 | N3 | 1.6° | 0.1° |
| C34 | N4 | C33 | H43 | 178.4° | 180.0° |
| C37 | N3 | C33 | N4 | 1.7° | 0.3° |
| C37 | N3 | C32 | C33 | 171.4° | 179.7° |
| C37 | N3 | C32 | C38 | 99.3° | 83.5° |
| C37 | N3 | C32 | O13 | 137.5° | 161.2° |
| C37 | N3 | C32 | H42 | 20.9° | 39.0° |
| C37 | N3 | C33 | H43 | 178.3° | 179.8° |
| O14 | C38 | C32 | N3 | 98.6° | 146.6° |
| O14 | C38 | C32 | C39 | 118.7° | 118.7° |
| O14 | C38 | C32 | H47 | 124.0° | 122.7° |
| O14 | C38 | C39 | H47 | 127.8° | 122.7° |
| O14 | C38 | C32 | O13 | 138.6° | 94.6° |
| O14 | C38 | C39 | O15 | 34.3° | 0.0° |
| O14 | C38 | C39 | C31 | 155.5° | 118.6° |
| O14 | C38 | C32 | H42 | 22.0° | 24.2° |
| O14 | C38 | C39 | H49 | 89.1° | 122.7° |
| O18 | P3 | O16 | O15 | 121.1° | 120.0° |
| O18 | P3 | O16 | O17 | 120.1° | 120.0° |
| O18 | P3 | O15 | O17 | 115.0° | 119.9° |
| O18 | P3 | O15 | C39 | 54.0° | 55.0° |
| O18 | P3 | O16 | H50 | 0.0° | 180.0° |
| O18 | P3 | O17 | H51 | 0.0° | 60.1° |
| N4 | C33 | N3 | C32 | 174.2° | 180.0° |
| N4 | C33 | N3 | H43 | 180.0° | 179.9° |
| N3 | C32 | C38 | O13 | 122.8° | 118.8° |
| N3 | C32 | C38 | H42 | 120.6° | 122.4° |
| N3 | C32 | C38 | C39 | 142.7° | 94.7° |
| N3 | C32 | O13 | H42 | 116.5° | 122.2° |
| N3 | C32 | O13 | C31 | 116.5° | 78.3° |
| C32 | N3 | C33 | H43 | 5.8° | 0.1° |
| N3 | C32 | C38 | H47 | 25.4° | 23.9° |
| C33 | N3 | C32 | C38 | 89.3° | 96.2° |
| C33 | N3 | C32 | O13 | 33.9° | 19.2° |
| C33 | N3 | C32 | H42 | 150.5° | 141.4° |
| C32 | C38 | C39 | H47 | 117.3° | 118.6° |
| C38 | C32 | O13 | H42 | 115.8° | 119.0° |
| C32 | C38 | C39 | O15 | 80.7° | 118.6° |
| C32 | C38 | C39 | C31 | 40.6° | 0.1° |
| C38 | C32 | O13 | C31 | 11.2° | 40.5° |
| C32 | C38 | O14 | H48 | 127.9° | 61.4° |
| C32 | C38 | C39 | H49 | 155.9° | 118.6° |
| C39 | C38 | C32 | O13 | 19.9° | 24.0° |
| C38 | C39 | O15 | P3 | 101.4° | 121.5° |
| C38 | C39 | O15 | C31 | 110.2° | 114.5° |
| C38 | C39 | O15 | H49 | 122.7° | 122.7° |
| C38 | C39 | C31 | H49 | 115.5° | 118.6° |
| C38 | C39 | C31 | O13 | 49.5° | 23.9° |
| C38 | C39 | C31 | C30 | 173.7° | 142.7° |
| C38 | C39 | C31 | H41 | 63.6° | 95.0° |
| C39 | C38 | C32 | H42 | 96.6° | 142.9° |
| C39 | C38 | O14 | H48 | 17.7° | 176.1° |
| C32 | O13 | C31 | C39 | 37.9° | 40.5° |
| C32 | O13 | C31 | C30 | 168.9° | 159.3° |
| C32 | O13 | C31 | H41 | 74.4° | 78.4° |
| O13 | C32 | C38 | H47 | 97.4° | 142.6° |
| O16 | P3 | O15 | O17 | 119.1° | 120.0° |
| O16 | P3 | O15 | C39 | 179.9° | 65.0° |
| O16 | P3 | O17 | H51 | 127.6° | 60.0° |
| P3 | O15 | C39 | C31 | 148.4° | 124.0° |
| P3 | O15 | C39 | H49 | 21.2° | 1.2° |
| O15 | P3 | O16 | H50 | 121.1° | 60.0° |
| O15 | P3 | O17 | H51 | 118.5° | 180.0° |
| O17 | P3 | O15 | C39 | 61.0° | 175.0° |
| O17 | P3 | O16 | H50 | 120.1° | 60.0° |
| O15 | C39 | C31 | H49 | 127.9° | 122.8° |
| O15 | C39 | C31 | O13 | 67.0° | 94.7° |
| O15 | C39 | C31 | C30 | 57.1° | 24.2° |
| O15 | C39 | C31 | H41 | 179.8° | 146.4° |
| O15 | C39 | C38 | H47 | 162.0° | 122.8° |
| C39 | C31 | O13 | C30 | 130.9° | 118.9° |
| C39 | C31 | O13 | H41 | 112.3° | 118.9° |
| C39 | C31 | C30 | H41 | 122.6° | 122.3° |
| C39 | C31 | C30 | O12 | 60.4° | 176.6° |
| C39 | C31 | C30 | H39 | 179.7° | 56.5° |
| C39 | C31 | C30 | H40 | 59.5° | 63.4° |
| C31 | C39 | C38 | H47 | 76.7° | 118.7° |
| O13 | C31 | C30 | H41 | 117.2° | 122.2° |
| O13 | C31 | C30 | O12 | 179.5° | 67.9° |
| O13 | C31 | C30 | H39 | 59.6° | 172.0° |
| O13 | C31 | C30 | H40 | 60.7° | 52.1° |
| C31 | O13 | C32 | H42 | 127.1° | 159.5° |
| O13 | C31 | C39 | H49 | 165.0° | 142.5° |
| C31 | C30 | O12 | H39 | 119.9° | 120.0° |
| C31 | C30 | O12 | H40 | 119.9° | 120.0° |
| C31 | C30 | O12 | P2 | 166.4° | 180.0° |
| C31 | C30 | H39 | H40 | 120.4° | 120.0° |
| C30 | C31 | C39 | H49 | 70.8° | 98.6° |
| C30 | O12 | P2 | O9 | 12.1° | 175.0° |
| C30 | O12 | P2 | O10 | 137.7° | 55.0° |
| C30 | O12 | P2 | O11 | 100.3° | 65.0° |
| O12 | C30 | H39 | H40 | 120.3° | 120.0° |
| O12 | C30 | C31 | H41 | 62.2° | 54.3° |
| O12 | P2 | O9 | O10 | 119.1° | 120.0° |
| O12 | P2 | O9 | O11 | 111.2° | 120.0° |
| O12 | P2 | O10 | O11 | 120.6° | 120.0° |
| O12 | P2 | O9 | P1 | 141.1° | 165.0° |
| O12 | P2 | O11 | H38 | 122.9° | 60.0° |
| P2 | O12 | C30 | H39 | 46.5° | 60.0° |
| P2 | O12 | C30 | H40 | 73.7° | 60.0° |
| O9 | P2 | O10 | O11 | 129.4° | 119.9° |
| P2 | O9 | P1 | O7 | 166.8° | 39.9° |
| P2 | O9 | P1 | O8 | 28.4° | 80.0° |
| P2 | O9 | P1 | O6 | 90.2° | 159.9° |
| O9 | P2 | O11 | H38 | 135.0° | 60.1° |
| O10 | P2 | O9 | P1 | 22.0° | 44.9° |
| O10 | P2 | O11 | H38 | 0.0° | 180.0° |
| O11 | P2 | O9 | P1 | 107.8° | 75.0° |
| O9 | P1 | O7 | O8 | 123.0° | 119.9° |
| O9 | P1 | O7 | O6 | 103.0° | 120.0° |
| O9 | P1 | O8 | O6 | 106.7° | 120.1° |
| O9 | P1 | O6 | C29 | 118.7° | 175.0° |
| O9 | P1 | O8 | H37 | 125.0° | 60.0° |
| O7 | P1 | O8 | O6 | 128.3° | 120.0° |
| O7 | P1 | O6 | C29 | 131.7° | 55.0° |
| O7 | P1 | O8 | H37 | 0.0° | 180.0° |
| O8 | P1 | O6 | C29 | 10.3° | 65.0° |
| P1 | O6 | C29 | C26 | 145.8° | 180.0° |
| P1 | O6 | C29 | H35 | 93.9° | 60.0° |
| P1 | O6 | C29 | H36 | 25.5° | 60.0° |
| O6 | P1 | O8 | H37 | 128.3° | 60.0° |
| O6 | C29 | C26 | C25 | 66.0° | 180.0° |
| O6 | C29 | C26 | H35 | 120.3° | 120.0° |
| O6 | C29 | C26 | H36 | 120.3° | 120.0° |
| O6 | C29 | C26 | C27 | 56.2° | 60.0° |
| O6 | C29 | C26 | C28 | 174.3° | 60.0° |
| O6 | C29 | H35 | H36 | 119.1° | 120.0° |
| O5 | C25 | C26 | C24 | 124.2° | 120.0° |
| O5 | C25 | C26 | H27 | 116.4° | 120.0° |
| O5 | C25 | C24 | H27 | 120.4° | 120.0° |
| O5 | C25 | C26 | C29 | 88.9° | 57.4° |
| O5 | C25 | C24 | N2 | 1.6° | 6.9° |
| O5 | C25 | C26 | C27 | 34.3° | 177.4° |
| O5 | C25 | C26 | C28 | 158.0° | 62.6° |
| O5 | C25 | C24 | O4 | 178.3° | 173.0° |
| C26 | C25 | C24 | H27 | 119.2° | 120.0° |
| C25 | C26 | C29 | C27 | 122.2° | 120.0° |
| C25 | C26 | C29 | C28 | 119.7° | 120.0° |
| C26 | C25 | C24 | N2 | 118.8° | 113.1° |
| C25 | C26 | C27 | C28 | 124.3° | 120.0° |
| C26 | C25 | C24 | O4 | 61.3° | 67.0° |
| C26 | C25 | O5 | H28 | 180.0° | 60.0° |
| C25 | C26 | C27 | H29 | 180.0° | 68.4° |
| C25 | C26 | C27 | H30 | 60.0° | 171.6° |
| C25 | C26 | C27 | H31 | 60.0° | 51.6° |
| C25 | C26 | C28 | H32 | 180.0° | 60.0° |
| C25 | C26 | C28 | H33 | 60.0° | 180.0° |
| C25 | C26 | C28 | H34 | 60.0° | 60.0° |
| C25 | C26 | C29 | H35 | 173.7° | 60.0° |
| C25 | C26 | C29 | H36 | 54.3° | 60.0° |
| C24 | C25 | C26 | C29 | 146.9° | 177.4° |
| C25 | C24 | N2 | O4 | 179.9° | 179.9° |
| C25 | C24 | N2 | C23 | 177.4° | 174.8° |
| C24 | C25 | C26 | C27 | 89.9° | 62.6° |
| C24 | C25 | C26 | C28 | 33.8° | 57.4° |
| C25 | C24 | N2 | H12 | 2.6° | 5.2° |
| C24 | C25 | O5 | H28 | 55.0° | 60.0° |
| C29 | C26 | C27 | C28 | 112.1° | 120.0° |
| C29 | C26 | C25 | H27 | 27.5° | 62.6° |
| C29 | C26 | C27 | H29 | 56.4° | 171.6° |
| C29 | C26 | C27 | H30 | 176.4° | 51.6° |
| C29 | C26 | C27 | H31 | 63.6° | 68.4° |
| C29 | C26 | C28 | H32 | 60.7° | 60.0° |
| C29 | C26 | C28 | H33 | 59.3° | 60.0° |
| C29 | C26 | C28 | H34 | 179.3° | 180.0° |
| C26 | C29 | H35 | H36 | 119.1° | 120.0° |
| C24 | N2 | C23 | H12 | 180.0° | 180.0° |
| C24 | N2 | C23 | C22 | 78.8° | 180.0° |
| C24 | N2 | C23 | H25 | 41.8° | 60.0° |
| C24 | N2 | C23 | H26 | 160.6° | 60.0° |
| N2 | C24 | C25 | H27 | 122.0° | 126.9° |
| C23 | N2 | C24 | O4 | 2.5° | 5.3° |
| N2 | C23 | C22 | H25 | 120.6° | 120.0° |
| N2 | C23 | C22 | H26 | 120.6° | 120.0° |
| N2 | C23 | C22 | C21 | 32.3° | 180.0° |
| N2 | C23 | C22 | H23 | 88.5° | 60.0° |
| N2 | C23 | C22 | H24 | 153.1° | 60.0° |
| N2 | C23 | H25 | H26 | 118.1° | 120.0° |
| C27 | C26 | C25 | H27 | 150.7° | 57.4° |
| C26 | C27 | H29 | H30 | 120.0° | 120.0° |
| C26 | C27 | H29 | H31 | 120.0° | 120.0° |
| C26 | C27 | H30 | H31 | 120.0° | 120.0° |
| C27 | C26 | C28 | H32 | 57.4° | 180.0° |
| C27 | C26 | C28 | H33 | 177.3° | 60.0° |
| C27 | C26 | C28 | H34 | 62.7° | 60.1° |
| C27 | C26 | C29 | H35 | 64.1° | 180.0° |
| C27 | C26 | C29 | H36 | 176.5° | 60.0° |
| C28 | C26 | C25 | H27 | 85.6° | 177.4° |
| C28 | C26 | C27 | H29 | 55.7° | 51.6° |
| C28 | C26 | C27 | H30 | 64.3° | 68.4° |
| C28 | C26 | C27 | H31 | 175.7° | 171.6° |
| C26 | C28 | H32 | H33 | 120.0° | 120.0° |
| C26 | C28 | H32 | H34 | 120.0° | 119.9° |
| C26 | C28 | H33 | H34 | 120.0° | 120.0° |
| C28 | C26 | C29 | H35 | 54.0° | 60.1° |
| C28 | C26 | C29 | H36 | 65.4° | 180.0° |
| O4 | C24 | N2 | H12 | 177.4° | 174.7° |
| O4 | C24 | C25 | H27 | 57.9° | 53.0° |
| C23 | C22 | C21 | O3 | 48.5° | 0.0° |
| C23 | C22 | C21 | H23 | 120.8° | 120.0° |
| C23 | C22 | C21 | H24 | 120.8° | 120.0° |
| C23 | C22 | C21 | N1 | 132.7° | 180.0° |
| C22 | C23 | N2 | H12 | 101.2° | 0.0° |
| C23 | C22 | H23 | H24 | 117.5° | 120.0° |
| C22 | C23 | H25 | H26 | 118.1° | 120.0° |
| F2 | C15 | C14 | F1 | 122.4° | 120.0° |
| F2 | C15 | C14 | F3 | 119.9° | 120.0° |
| F2 | C15 | F1 | F3 | 111.9° | 120.0° |
| F2 | C15 | C14 | C13 | 91.3° | 29.7° |
| F2 | C15 | C14 | C16 | 89.1° | 150.0° |
| O3 | C21 | C22 | N1 | 178.8° | 179.9° |
| O3 | C21 | N1 | C20 | 1.8° | 0.0° |
| O3 | C21 | N1 | H11 | 178.3° | 180.0° |
| O3 | C21 | C22 | H23 | 169.3° | 120.0° |
| O3 | C21 | C22 | H24 | 72.3° | 120.0° |
| C22 | C21 | N1 | C20 | 177.0° | 179.9° |
| C22 | C21 | N1 | H11 | 3.0° | 0.0° |
| C21 | C22 | H23 | H24 | 117.5° | 120.0° |
| C21 | C22 | C23 | H25 | 152.9° | 60.0° |
| C21 | C22 | C23 | H26 | 88.3° | 60.0° |
| C14 | C15 | F1 | F3 | 122.7° | 120.0° |
| C15 | C14 | C13 | C16 | 179.6° | 179.7° |
| C15 | C14 | C13 | C12 | 179.8° | 179.7° |
| C15 | C14 | C16 | C10 | 179.6° | 179.7° |
| C15 | C14 | C13 | H10 | 0.2° | 0.2° |
| C15 | C14 | C16 | H17 | 0.4° | 0.3° |
| F1 | C15 | C14 | C13 | 31.1° | 90.3° |
| F1 | C15 | C14 | C16 | 148.4° | 90.0° |
| F3 | C15 | C14 | C13 | 148.8° | 149.7° |
| F3 | C15 | C14 | C16 | 30.8° | 30.0° |
| C14 | C13 | C12 | H10 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.4° | 0.1° |
| C13 | C14 | C16 | C10 | 0.8° | 0.0° |
| C14 | C13 | C12 | H9 | 179.6° | 180.0° |
| C13 | C14 | C16 | H17 | 179.2° | 180.0° |
| C12 | C13 | C14 | C16 | 0.6° | 0.1° |
| C13 | C12 | C11 | H9 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | H4 | 179.6° | 179.9° |
| C21 | N1 | C20 | H11 | 180.0° | 179.9° |
| C21 | N1 | C20 | C19 | 69.0° | 180.0° |
| C21 | N1 | C20 | H21 | 51.5° | 60.0° |
| C21 | N1 | C20 | H22 | 170.4° | 60.0° |
| N1 | C21 | C22 | H23 | 11.9° | 60.0° |
| N1 | C21 | C22 | H24 | 106.5° | 60.0° |
| C14 | C16 | C10 | H17 | 180.0° | 180.0° |
| C14 | C16 | C10 | C11 | 0.8° | 0.1° |
| C14 | C16 | C10 | C9 | 178.9° | 180.0° |
| C16 | C14 | C13 | H10 | 179.4° | 180.0° |
| C12 | C11 | C10 | C16 | 0.5° | 0.1° |
| C12 | C11 | C10 | H4 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 178.6° | 180.0° |
| C11 | C12 | C13 | H10 | 179.6° | 180.0° |
| C16 | C10 | C11 | C9 | 178.1° | 180.0° |
| C16 | C10 | C9 | C8 | 74.8° | 90.0° |
| C16 | C10 | C11 | H4 | 179.5° | 180.0° |
| C16 | C10 | C9 | H7 | 45.3° | 150.0° |
| C16 | C10 | C9 | H8 | 165.2° | 30.0° |
| C11 | C10 | C9 | C8 | 103.3° | 90.0° |
| C11 | C10 | C9 | H7 | 136.7° | 30.0° |
| C11 | C10 | C9 | H8 | 16.7° | 149.9° |
| C10 | C11 | C12 | H9 | 179.6° | 180.0° |
| C11 | C10 | C16 | H17 | 179.3° | 180.0° |
| C10 | C9 | C8 | H7 | 120.0° | 120.0° |
| C10 | C9 | C8 | H8 | 120.0° | 120.0° |
| C10 | C9 | C8 | O1 | 165.7° | 180.0° |
| C9 | C10 | C11 | H4 | 1.4° | 0.1° |
| C10 | C9 | C8 | H5 | 45.9° | 60.0° |
| C10 | C9 | C8 | H6 | 74.4° | 60.0° |
| C10 | C9 | H7 | H8 | 119.9° | 120.0° |
| C9 | C10 | C16 | H17 | 1.1° | 0.0° |
| C9 | C8 | O1 | H5 | 119.8° | 120.0° |
| C9 | C8 | O1 | H6 | 119.9° | 120.0° |
| C9 | C8 | O1 | C7 | 52.6° | 180.0° |
| C9 | C8 | H5 | H6 | 120.5° | 120.0° |
| C8 | C9 | H7 | H8 | 119.9° | 120.0° |
| N1 | C20 | C19 | H21 | 120.5° | 120.1° |
| N1 | C20 | C19 | H22 | 120.5° | 120.0° |
| N1 | C20 | C19 | S2 | 173.4° | 179.9° |
| N1 | C20 | C19 | H19 | 65.5° | 60.0° |
| N1 | C20 | C19 | H20 | 52.3° | 60.0° |
| N1 | C20 | H21 | H22 | 118.3° | 120.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C5 | C6 | C7 | O1 | 178.4° | 180.0° |
| C5 | C6 | C7 | C17 | 0.1° | 0.1° |
| C6 | C5 | C4 | H1 | 179.5° | 179.8° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C17 | 1.1° | 0.0° |
| C5 | C4 | C3 | S1 | 179.7° | 179.7° |
| C4 | C5 | C6 | H3 | 179.9° | 179.9° |
| C20 | C19 | S2 | H19 | 121.1° | 120.0° |
| C20 | C19 | S2 | H20 | 121.1° | 120.0° |
| C20 | C19 | S2 | C18 | 90.6° | 180.0° |
| C19 | C20 | N1 | H11 | 111.0° | 0.1° |
| C20 | C19 | H19 | H20 | 116.5° | 120.0° |
| C19 | C20 | H21 | H22 | 118.3° | 120.0° |
| C6 | C7 | O1 | C8 | 114.4° | 0.0° |
| C6 | C7 | O1 | C17 | 178.2° | 179.9° |
| C6 | C7 | C17 | C3 | 0.8° | 0.1° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C6 | C7 | C17 | H18 | 179.3° | 180.0° |
| C4 | C3 | C17 | C7 | 1.3° | 0.1° |
| C4 | C3 | C17 | S1 | 178.4° | 179.7° |
| C4 | C3 | S1 | C2 | 59.4° | 95.9° |
| C3 | C4 | C5 | H2 | 179.5° | 179.9° |
| C4 | C3 | C17 | H18 | 178.8° | 180.0° |
| C19 | S2 | C18 | C2 | 168.7° | 180.0° |
| C19 | S2 | C18 | O2 | 8.3° | 0.0° |
| S2 | C19 | H19 | H20 | 116.5° | 120.0° |
| S2 | C19 | C20 | H21 | 52.9° | 60.0° |
| S2 | C19 | C20 | H22 | 66.0° | 60.0° |
| S2 | C18 | C2 | S1 | 31.1° | 155.0° |
| S2 | C18 | C2 | O2 | 176.8° | 180.0° |
| S2 | C18 | C2 | C1 | 159.4° | 85.0° |
| S2 | C18 | C2 | H16 | 84.1° | 35.0° |
| C18 | S2 | C19 | H19 | 30.5° | 60.0° |
| C18 | S2 | C19 | H20 | 148.3° | 60.0° |
| C8 | O1 | C7 | C17 | 67.4° | 179.9° |
| O1 | C8 | H5 | H6 | 120.5° | 120.0° |
| O1 | C8 | C9 | H7 | 74.2° | 60.0° |
| O1 | C8 | C9 | H8 | 45.7° | 60.0° |
| O1 | C7 | C17 | C3 | 178.9° | 180.0° |
| O1 | C7 | C6 | H3 | 1.5° | 0.1° |
| C7 | O1 | C8 | H5 | 67.2° | 60.0° |
| C7 | O1 | C8 | H6 | 172.4° | 60.0° |
| O1 | C7 | C17 | H18 | 1.2° | 0.1° |
| C7 | C17 | C3 | H18 | 180.0° | 179.9° |
| C7 | C17 | C3 | S1 | 179.7° | 179.7° |
| C17 | C7 | C6 | H3 | 179.8° | 180.0° |
| C17 | C3 | S1 | C2 | 119.1° | 84.4° |
| C17 | C3 | C4 | H1 | 178.9° | 179.7° |
| C3 | S1 | C2 | C18 | 119.6° | 173.1° |
| C3 | S1 | C2 | C1 | 114.7° | 67.0° |
| S1 | C3 | C4 | H1 | 0.3° | 0.1° |
| C3 | S1 | C2 | H16 | 2.5° | 53.0° |
| S1 | C3 | C17 | H18 | 0.4° | 0.4° |
| S1 | C2 | C18 | C1 | 128.4° | 120.0° |
| S1 | C2 | C18 | H16 | 115.1° | 120.0° |
| S1 | C2 | C18 | O2 | 152.1° | 25.0° |
| S1 | C2 | C1 | H16 | 115.3° | 120.0° |
| S1 | C2 | C1 | H13 | 180.0° | 55.8° |
| S1 | C2 | C1 | H14 | 60.0° | 175.8° |
| S1 | C2 | C1 | H15 | 60.0° | 64.2° |
| C18 | C2 | C1 | H16 | 116.4° | 120.0° |
| C18 | C2 | C1 | H13 | 51.8° | 175.8° |
| C18 | C2 | C1 | H14 | 68.2° | 64.2° |
| C18 | C2 | C1 | H15 | 171.7° | 55.8° |
| O2 | C18 | C2 | C1 | 23.7° | 95.0° |
| O2 | C18 | C2 | H16 | 92.7° | 145.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 0.5° | 0.4° |
| H2 | C5 | C6 | H3 | 0.1° | 0.1° |
| H4 | C11 | C12 | H9 | 0.4° | 0.1° |
| H5 | C8 | C9 | H7 | 165.9° | 60.0° |
| H5 | C8 | C9 | H8 | 74.1° | 180.0° |
| H6 | C8 | C9 | H7 | 45.6° | 180.0° |
| H6 | C8 | C9 | H8 | 165.6° | 60.0° |
| H9 | C12 | C13 | H10 | 0.4° | 0.1° |
| H11 | N1 | C20 | H21 | 128.5° | 119.9° |
| H11 | N1 | C20 | H22 | 9.6° | 120.0° |
| H12 | N2 | C23 | H25 | 138.2° | 120.0° |
| H12 | N2 | C23 | H26 | 19.5° | 120.0° |
| H13 | C1 | H14 | H15 | 120.0° | 120.0° |
| H13 | C1 | C2 | H16 | 64.7° | 64.2° |
| H14 | C1 | C2 | H16 | 175.3° | 55.8° |
| H15 | C1 | C2 | H16 | 55.3° | 175.8° |
| H19 | C19 | C20 | H21 | 174.0° | 60.0° |
| H19 | C19 | C20 | H22 | 55.1° | 180.0° |
| H20 | C19 | C20 | H21 | 68.2° | 180.0° |
| H20 | C19 | C20 | H22 | 172.8° | 60.0° |
| H23 | C22 | C23 | H25 | 32.1° | 60.0° |
| H23 | C22 | C23 | H26 | 150.9° | 180.0° |
| H24 | C22 | C23 | H25 | 86.3° | 180.0° |
| H24 | C22 | C23 | H26 | 32.5° | 60.0° |
| H27 | C25 | O5 | H28 | 64.7° | 180.0° |
| H29 | C27 | H30 | H31 | 120.0° | 120.0° |
| H32 | C28 | H33 | H34 | 120.0° | 120.0° |
| H39 | C30 | C31 | H41 | 57.7° | 65.7° |
| H40 | C30 | C31 | H41 | 177.9° | 174.3° |
| H41 | C31 | C39 | H49 | 51.9° | 23.7° |
| H42 | C32 | C38 | H47 | 146.1° | 98.5° |
| H47 | C38 | O14 | H48 | 109.1° | 61.2° |
| H47 | C38 | C39 | H49 | 38.6° | 0.0° |
