A1JJZ
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 | 1.33Å | Aromatic |
| N5 | C35 | sing | 1.38Å | 1.33Å | |
| C35 | C34 | sing | 1.41Å | 1.40Å | Aromatic |
| N7 | C37 | sing | 1.33Å | 1.35Å | Aromatic |
| C34 | C37 | doub | 1.40Å | 1.38Å | Aromatic |
| C34 | N4 | sing | 1.35Å | 1.39Å | 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 | C33 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C32 | sing | 1.46Å | 1.46Å | |
| C38 | C32 | sing | 1.55Å | 1.52Å | |
| C38 | C39 | sing | 1.55Å | 1.53Å | |
| C32 | O13 | sing | 1.44Å | 1.43Å | |
| O15 | P3 | sing | 1.61Å | 1.63Å | |
| O15 | C39 | sing | 1.43Å | 1.43Å | |
| P3 | O17 | sing | 1.61Å | 1.52Å | |
| P3 | O16 | sing | 1.61Å | 1.52Å | |
| C39 | C31 | sing | 1.54Å | 1.54Å | |
| O13 | C31 | sing | 1.44Å | 1.45Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | O12 | sing | 1.43Å | 1.45Å | |
| O12 | P2 | sing | 1.61Å | 1.60Å | |
| O10 | P2 | doub | 1.48Å | 1.49Å | |
| P2 | O11 | sing | 1.61Å | 1.49Å | |
| P2 | O9 | sing | 1.61Å | 1.58Å | |
| O8 | P1 | doub | 1.48Å | 1.48Å | |
| O9 | P1 | sing | 1.61Å | 1.59Å | |
| P1 | O7 | sing | 1.61Å | 1.49Å | |
| P1 | O6 | sing | 1.61Å | 1.60Å | |
| O6 | C29 | sing | 1.43Å | 1.44Å | |
| O5 | C25 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.57Å | |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C29 | C26 | sing | 1.53Å | 1.53Å | |
| N2 | C24 | sing | 1.35Å | 1.33Å | |
| N2 | C23 | sing | 1.46Å | 1.46Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.54Å | |
| C24 | O4 | doub | 1.21Å | 1.24Å | |
| F3 | C14 | sing | 1.40Å | 1.33Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| F1 | C14 | sing | 1.40Å | 1.33Å | |
| O3 | C21 | doub | 1.21Å | 1.24Å | |
| C14 | F2 | sing | 1.40Å | 1.32Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | N1 | sing | 1.35Å | 1.34Å | |
| C15 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C20 | sing | 1.46Å | 1.48Å | |
| O1 | C7 | sing | 1.43Å | 1.44Å | |
| O1 | C6 | sing | 1.36Å | 1.38Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | S2 | sing | 1.81Å | 1.83Å | |
| S2 | C18 | sing | 1.71Å | 1.77Å | |
| C3 | S1 | sing | 1.76Å | 1.78Å | |
| C3 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| S1 | C2 | sing | 1.81Å | 1.81Å | |
| C18 | C2 | sing | 1.51Å | 1.51Å | |
| C18 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| 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 | |
| O7 | 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 | 118.8° | 121.2° |
| N6 | C36 | N7 | 128.9° | 122.5° |
| N6 | C36 | H46 | 115.6° | 118.7° |
| N6 | C35 | N5 | 118.8° | 120.8° |
| N6 | C35 | C34 | 117.5° | 118.4° |
| C36 | N7 | C37 | 111.2° | 120.6° |
| N7 | C36 | H46 | 115.5° | 118.7° |
| N5 | C35 | C34 | 123.6° | 120.8° |
| C35 | N5 | H44 | 109.5° | 120.1° |
| C35 | N5 | H45 | 109.5° | 120.0° |
| C35 | C34 | C37 | 117.1° | 118.2° |
| C35 | C34 | N4 | 132.2° | 134.7° |
| N7 | C37 | C34 | 126.6° | 119.1° |
| N7 | C37 | N3 | 127.7° | 134.9° |
| C37 | C34 | N4 | 110.7° | 107.2° |
| C34 | C37 | N3 | 105.7° | 106.0° |
| C34 | N4 | C33 | 104.1° | 109.4° |
| C37 | N3 | C33 | 106.0° | 107.4° |
| C37 | N3 | C32 | 124.3° | 126.3° |
| O14 | C38 | C32 | 103.8° | 110.9° |
| O14 | C38 | C39 | 119.0° | 110.8° |
| O14 | C38 | H47 | 112.4° | 110.9° |
| C38 | O14 | H48 | 109.5° | 114.0° |
| O18 | P3 | O15 | 107.5° | 109.5° |
| O18 | P3 | O17 | 115.6° | 109.4° |
| O18 | P3 | O16 | 102.4° | 109.5° |
| N4 | C33 | N3 | 113.5° | 110.0° |
| N4 | C33 | H43 | 123.3° | 125.0° |
| C33 | N3 | C32 | 129.5° | 126.3° |
| N3 | C33 | H43 | 123.2° | 125.0° |
| N3 | C32 | C38 | 115.2° | 110.6° |
| N3 | C32 | O13 | 109.9° | 110.6° |
| N3 | C32 | H42 | 108.8° | 110.5° |
| C32 | C38 | C39 | 99.3° | 102.1° |
| C38 | C32 | O13 | 105.2° | 103.5° |
| C38 | C32 | H42 | 108.2° | 110.8° |
| C32 | C38 | H47 | 110.7° | 110.9° |
| C38 | C39 | O15 | 114.5° | 110.5° |
| C38 | C39 | C31 | 101.6° | 104.0° |
| C39 | C38 | H47 | 110.4° | 111.0° |
| C38 | C39 | H49 | 109.9° | 110.5° |
| C32 | O13 | C31 | 108.3° | 106.9° |
| O13 | C32 | H42 | 109.3° | 110.6° |
| P3 | O15 | C39 | 122.6° | 123.0° |
| O15 | P3 | O17 | 101.8° | 109.5° |
| O15 | P3 | O16 | 113.2° | 109.5° |
| O15 | C39 | C31 | 109.4° | 110.6° |
| O15 | C39 | H49 | 111.3° | 110.5° |
| O17 | P3 | O16 | 116.4° | 109.5° |
| P3 | O17 | H51 | 109.5° | 114.0° |
| P3 | O16 | H50 | 109.5° | 114.0° |
| C39 | C31 | O13 | 105.8° | 107.4° |
| C39 | C31 | C30 | 114.6° | 109.9° |
| C39 | C31 | H41 | 108.2° | 109.9° |
| C31 | C39 | H49 | 109.7° | 110.4° |
| O13 | C31 | C30 | 110.3° | 109.8° |
| O13 | C31 | H41 | 109.3° | 109.9° |
| C31 | C30 | O12 | 109.5° | 109.5° |
| C31 | C30 | H39 | 109.5° | 109.5° |
| C31 | C30 | H40 | 109.5° | 109.5° |
| C30 | C31 | H41 | 108.5° | 109.8° |
| C30 | O12 | P2 | 119.3° | 123.0° |
| O12 | C30 | H39 | 109.4° | 109.5° |
| O12 | C30 | H40 | 109.5° | 109.5° |
| O12 | P2 | O10 | 119.9° | 109.4° |
| O12 | P2 | O11 | 111.3° | 109.5° |
| O12 | P2 | O9 | 91.2° | 109.5° |
| O10 | P2 | O11 | 115.7° | 109.5° |
| O10 | P2 | O9 | 105.9° | 109.4° |
| O11 | P2 | O9 | 109.3° | 109.5° |
| P2 | O11 | H38 | 109.5° | 114.0° |
| P2 | O9 | P1 | 144.0° | 134.0° |
| O8 | P1 | O9 | 117.8° | 109.5° |
| O8 | P1 | O7 | 128.5° | 109.5° |
| O8 | P1 | O6 | 101.4° | 109.5° |
| O9 | P1 | O7 | 87.8° | 109.4° |
| O9 | P1 | O6 | 91.5° | 109.5° |
| O7 | P1 | O6 | 123.1° | 109.5° |
| P1 | O7 | H37 | 109.5° | 114.0° |
| P1 | O6 | C29 | 120.3° | 123.0° |
| O6 | C29 | C26 | 115.1° | 109.5° |
| O6 | C29 | H35 | 108.0° | 109.5° |
| O6 | C29 | H36 | 108.1° | 109.5° |
| O5 | C25 | C26 | 110.2° | 109.5° |
| O5 | C25 | C24 | 109.2° | 109.4° |
| O5 | C25 | H27 | 109.1° | 109.5° |
| C25 | O5 | H28 | 109.5° | 114.0° |
| C26 | C25 | C24 | 113.0° | 109.5° |
| C25 | C26 | C29 | 112.5° | 109.5° |
| C25 | C26 | C27 | 109.2° | 109.5° |
| C25 | C26 | C28 | 112.7° | 109.5° |
| C26 | C25 | H27 | 107.4° | 109.5° |
| C25 | C24 | N2 | 115.9° | 120.0° |
| C25 | C24 | O4 | 120.7° | 120.0° |
| C24 | C25 | H27 | 107.8° | 109.4° |
| C29 | C26 | C27 | 113.4° | 109.4° |
| C29 | C26 | C28 | 99.0° | 109.4° |
| C26 | C29 | H35 | 108.1° | 109.5° |
| C26 | C29 | H36 | 108.0° | 109.5° |
| C24 | N2 | C23 | 123.2° | 120.0° |
| N2 | C24 | O4 | 123.5° | 120.0° |
| C24 | N2 | H11 | 118.4° | 120.0° |
| N2 | C23 | C22 | 112.2° | 109.5° |
| C23 | N2 | H11 | 118.4° | 120.0° |
| N2 | C23 | H25 | 108.8° | 109.5° |
| N2 | C23 | H26 | 108.8° | 109.5° |
| C27 | C26 | C28 | 109.7° | 109.5° |
| C26 | C27 | H29 | 109.5° | 109.4° |
| C26 | C27 | H30 | 109.5° | 109.5° |
| C26 | C27 | H31 | 109.5° | 109.5° |
| C26 | C28 | H32 | 109.5° | 109.5° |
| C26 | C28 | H33 | 109.5° | 109.5° |
| C26 | C28 | H34 | 109.4° | 109.4° |
| F3 | C14 | F1 | 106.6° | 109.5° |
| F3 | C14 | F2 | 103.9° | 109.5° |
| F3 | C14 | C13 | 113.6° | 109.5° |
| C23 | C22 | C21 | 112.5° | 109.5° |
| C23 | C22 | H23 | 108.7° | 109.5° |
| C23 | C22 | H24 | 108.7° | 109.5° |
| C22 | C23 | H25 | 108.8° | 109.5° |
| C22 | C23 | H26 | 108.8° | 109.4° |
| F1 | C14 | F2 | 104.6° | 109.4° |
| F1 | C14 | C13 | 114.2° | 109.5° |
| O3 | C21 | C22 | 120.7° | 120.0° |
| O3 | C21 | N1 | 121.6° | 120.0° |
| F2 | C14 | C13 | 113.0° | 109.5° |
| C14 | C13 | C15 | 120.5° | 120.0° |
| C14 | C13 | C12 | 119.8° | 120.0° |
| C22 | C21 | N1 | 117.8° | 120.0° |
| C21 | C22 | H23 | 108.7° | 109.5° |
| C21 | C22 | H24 | 108.7° | 109.5° |
| C21 | N1 | C20 | 122.3° | 120.0° |
| C21 | N1 | H10 | 118.8° | 119.9° |
| C13 | C15 | C9 | 121.7° | 120.0° |
| C15 | C13 | C12 | 119.7° | 120.0° |
| C13 | C15 | H16 | 119.2° | 120.0° |
| C15 | C9 | C8 | 121.6° | 120.0° |
| C15 | C9 | C10 | 117.6° | 120.0° |
| C9 | C15 | H16 | 119.2° | 120.0° |
| C13 | C12 | C11 | 119.2° | 120.0° |
| C13 | C12 | H9 | 120.4° | 120.0° |
| C9 | C8 | C7 | 116.4° | 109.5° |
| C8 | C9 | C10 | 120.8° | 120.0° |
| C9 | C8 | H6 | 107.7° | 109.5° |
| C9 | C8 | H7 | 107.7° | 109.4° |
| C8 | C7 | O1 | 107.9° | 109.5° |
| C8 | C7 | H4 | 109.9° | 109.5° |
| C8 | C7 | H5 | 109.9° | 109.4° |
| C7 | C8 | H6 | 107.7° | 109.5° |
| C7 | C8 | H7 | 107.7° | 109.5° |
| C9 | C10 | C11 | 121.3° | 120.0° |
| C9 | C10 | H8 | 119.4° | 120.0° |
| C12 | C11 | C10 | 120.6° | 120.0° |
| C12 | C11 | H3 | 119.7° | 120.0° |
| C11 | C12 | H9 | 120.4° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.0° |
| C5 | C4 | C3 | 120.9° | 120.0° |
| C5 | C4 | H1 | 119.6° | 120.0° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| C5 | C6 | O1 | 120.8° | 120.0° |
| C5 | C6 | C16 | 119.1° | 120.0° |
| C6 | C5 | H2 | 119.8° | 120.0° |
| N1 | C20 | C19 | 113.0° | 109.4° |
| C20 | N1 | H10 | 118.9° | 120.0° |
| N1 | C20 | H21 | 108.6° | 109.5° |
| N1 | C20 | H22 | 108.6° | 109.5° |
| C7 | O1 | C6 | 119.3° | 117.0° |
| O1 | C7 | H4 | 109.8° | 109.5° |
| O1 | C7 | H5 | 109.9° | 109.5° |
| O1 | C6 | C16 | 120.0° | 120.0° |
| C20 | C19 | S2 | 117.8° | 109.4° |
| C20 | C19 | H19 | 107.4° | 109.5° |
| C20 | C19 | H20 | 107.3° | 109.5° |
| C19 | C20 | H21 | 108.6° | 109.5° |
| C19 | C20 | H22 | 108.6° | 109.5° |
| C4 | C3 | S1 | 122.0° | 120.0° |
| C4 | C3 | C17 | 118.0° | 120.0° |
| C3 | C4 | H1 | 119.6° | 120.0° |
| C10 | C11 | H3 | 119.7° | 120.0° |
| C11 | C10 | H8 | 119.4° | 120.0° |
| C6 | C16 | C17 | 120.4° | 120.0° |
| C6 | C16 | H17 | 119.8° | 120.0° |
| C19 | S2 | C18 | 98.1° | 100.0° |
| S2 | C19 | H19 | 107.3° | 109.4° |
| S2 | C19 | H20 | 107.4° | 109.5° |
| S2 | C18 | C2 | 114.5° | 120.0° |
| S2 | C18 | O2 | 122.6° | 120.0° |
| S1 | C3 | C17 | 120.0° | 120.0° |
| C3 | S1 | C2 | 108.8° | 103.0° |
| C3 | C17 | C16 | 121.2° | 120.0° |
| C3 | C17 | H18 | 119.4° | 120.0° |
| C17 | C16 | H17 | 119.8° | 120.0° |
| C16 | C17 | H18 | 119.4° | 120.0° |
| S1 | C2 | C18 | 111.4° | 109.4° |
| S1 | C2 | C1 | 112.6° | 109.5° |
| S1 | C2 | H15 | 105.4° | 109.5° |
| C2 | C18 | O2 | 122.7° | 120.0° |
| C18 | C2 | C1 | 110.1° | 109.5° |
| C18 | C2 | H15 | 108.6° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.4° | 109.5° |
| C1 | C2 | H15 | 108.6° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.4° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.4° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.4° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.5° | 109.4° |
| H29 | C27 | H31 | 109.5° | 109.5° |
| H30 | C27 | H31 | 109.4° | 109.5° |
| H32 | C28 | H33 | 109.5° | 109.5° |
| H32 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H35 | C29 | H36 | 109.5° | 109.5° |
| H39 | C30 | H40 | 109.4° | 109.4° |
| H44 | N5 | H45 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C36 | N7 | H46 | 180.0° | 180.0° |
| C36 | N6 | C35 | N5 | 178.8° | 180.0° |
| C36 | N6 | C35 | C34 | 2.2° | 0.1° |
| N6 | C36 | N7 | C37 | 0.6° | 0.0° |
| C35 | N6 | C36 | N7 | 1.9° | 0.1° |
| N6 | C35 | N5 | C34 | 176.4° | 180.0° |
| N6 | C35 | C34 | C37 | 1.4° | 0.1° |
| N6 | C35 | C34 | N4 | 178.3° | 179.4° |
| N6 | C35 | N5 | H44 | 0.0° | 180.0° |
| N6 | C35 | N5 | H45 | 120.0° | 0.0° |
| C35 | N6 | C36 | H46 | 178.1° | 180.0° |
| C36 | N7 | C37 | C34 | 0.3° | 0.0° |
| C36 | N7 | C37 | N3 | 179.3° | 180.0° |
| N5 | C35 | C34 | C37 | 177.9° | 180.0° |
| N5 | C35 | C34 | N4 | 1.8° | 0.6° |
| C35 | N5 | H44 | H45 | 120.0° | 180.0° |
| C35 | C34 | C37 | N7 | 0.2° | 0.0° |
| C35 | C34 | C37 | N4 | 179.8° | 179.5° |
| C35 | C34 | C37 | N3 | 179.8° | 180.0° |
| C35 | C34 | N4 | C33 | 179.4° | 179.7° |
| C34 | C35 | N5 | H44 | 176.4° | 0.0° |
| C34 | C35 | N5 | H45 | 56.4° | 179.9° |
| N7 | C37 | C34 | N3 | 179.6° | 180.0° |
| N7 | C37 | C34 | N4 | 179.6° | 179.6° |
| N7 | C37 | N3 | C33 | 179.2° | 179.6° |
| N7 | C37 | N3 | C32 | 4.3° | 0.1° |
| C37 | N7 | C36 | H46 | 179.4° | 180.0° |
| C37 | C34 | N4 | C33 | 0.3° | 0.3° |
| C34 | C37 | N3 | C33 | 0.4° | 0.4° |
| C34 | C37 | N3 | C32 | 175.3° | 179.9° |
| N4 | C34 | C37 | N3 | 0.1° | 0.4° |
| C34 | N4 | C33 | N3 | 0.6° | 0.0° |
| C34 | N4 | C33 | H43 | 179.4° | 179.9° |
| C37 | N3 | C33 | N4 | 0.6° | 0.3° |
| C37 | N3 | C33 | C32 | 174.6° | 179.7° |
| C37 | N3 | C32 | C38 | 107.2° | 89.2° |
| C37 | N3 | C32 | O13 | 134.2° | 156.7° |
| C37 | N3 | C32 | H42 | 14.5° | 33.9° |
| C37 | N3 | C33 | H43 | 179.4° | 179.8° |
| O14 | C38 | C32 | N3 | 73.1° | 86.3° |
| O14 | C38 | C32 | C39 | 123.1° | 118.1° |
| O14 | C38 | C32 | H47 | 120.8° | 123.6° |
| O14 | C38 | C39 | H47 | 132.2° | 123.6° |
| O14 | C38 | C32 | O13 | 165.7° | 155.2° |
| O14 | C38 | C39 | O15 | 34.8° | 20.4° |
| O14 | C38 | C39 | C31 | 152.5° | 139.1° |
| O14 | C38 | C32 | H42 | 48.9° | 36.7° |
| O14 | C38 | C39 | H49 | 91.3° | 102.3° |
| O18 | P3 | O15 | O17 | 121.9° | 120.0° |
| O18 | P3 | O15 | O16 | 112.3° | 120.0° |
| O18 | P3 | O15 | C39 | 92.3° | 55.1° |
| O18 | P3 | O17 | O16 | 120.2° | 120.0° |
| O18 | P3 | O16 | H50 | 0.0° | 59.9° |
| O18 | P3 | O17 | H51 | 0.0° | 180.0° |
| N4 | C33 | N3 | H43 | 180.0° | 180.0° |
| N4 | C33 | N3 | C32 | 175.2° | 180.0° |
| C33 | N3 | C32 | C38 | 79.1° | 90.5° |
| C33 | N3 | C32 | O13 | 39.5° | 23.6° |
| C33 | N3 | C32 | H42 | 159.2° | 146.4° |
| N3 | C32 | C38 | O13 | 121.2° | 118.5° |
| N3 | C32 | C38 | H42 | 122.0° | 122.9° |
| N3 | C32 | C38 | C39 | 163.7° | 155.6° |
| N3 | C32 | O13 | H42 | 119.4° | 122.8° |
| N3 | C32 | O13 | C31 | 151.5° | 158.6° |
| C32 | N3 | C33 | H43 | 4.8° | 0.0° |
| N3 | C32 | C38 | H47 | 47.6° | 37.4° |
| C32 | C38 | C39 | H47 | 116.3° | 118.2° |
| C38 | C32 | O13 | H42 | 116.0° | 118.7° |
| C32 | C38 | C39 | O15 | 76.8° | 97.8° |
| C32 | C38 | C39 | C31 | 41.0° | 21.0° |
| C38 | C32 | O13 | C31 | 26.9° | 40.1° |
| C32 | C38 | O14 | H48 | 180.0° | 61.5° |
| C32 | C38 | C39 | H49 | 157.1° | 139.5° |
| C39 | C38 | C32 | O13 | 42.5° | 37.1° |
| C38 | C39 | O15 | P3 | 124.8° | 121.4° |
| C38 | C39 | O15 | C31 | 113.2° | 114.7° |
| C38 | C39 | O15 | H49 | 125.3° | 122.7° |
| C38 | C39 | C31 | H49 | 116.2° | 118.6° |
| C38 | C39 | C31 | O13 | 26.7° | 1.9° |
| C38 | C39 | C31 | C30 | 95.0° | 121.4° |
| C38 | C39 | C31 | H41 | 143.8° | 117.6° |
| C39 | C38 | C32 | H42 | 74.2° | 81.5° |
| C39 | C38 | O14 | H48 | 70.9° | 174.1° |
| C32 | O13 | C31 | C39 | 0.3° | 26.5° |
| C32 | O13 | C31 | C30 | 124.2° | 146.0° |
| C32 | O13 | C31 | H41 | 116.7° | 93.1° |
| O13 | C32 | C38 | H47 | 73.6° | 81.2° |
| O15 | P3 | O17 | O16 | 123.6° | 120.0° |
| P3 | O15 | C39 | C31 | 121.9° | 123.9° |
| P3 | O15 | C39 | H49 | 0.5° | 1.2° |
| O15 | P3 | O16 | H50 | 115.4° | 179.9° |
| O15 | P3 | O17 | H51 | 116.1° | 60.0° |
| C39 | O15 | P3 | O17 | 145.8° | 65.0° |
| C39 | O15 | P3 | O16 | 20.0° | 175.0° |
| O15 | C39 | C31 | H49 | 122.4° | 122.7° |
| O15 | C39 | C31 | O13 | 94.7° | 120.6° |
| O15 | C39 | C31 | C30 | 143.6° | 119.9° |
| O15 | C39 | C31 | H41 | 22.5° | 1.1° |
| O15 | C39 | C38 | H47 | 167.0° | 144.0° |
| O17 | P3 | O16 | H50 | 127.1° | 60.0° |
| O16 | P3 | O17 | H51 | 120.2° | 60.0° |
| C39 | C31 | O13 | C30 | 124.5° | 119.5° |
| C39 | C31 | O13 | H41 | 116.4° | 119.6° |
| C39 | C31 | C30 | H41 | 121.0° | 121.1° |
| C39 | C31 | C30 | O12 | 112.3° | 175.3° |
| C39 | C31 | C30 | H39 | 7.7° | 64.7° |
| C39 | C31 | C30 | H40 | 127.7° | 55.3° |
| C31 | C39 | C38 | H47 | 75.3° | 97.2° |
| O13 | C31 | C30 | H41 | 119.7° | 121.0° |
| O13 | C31 | C30 | O12 | 128.4° | 66.7° |
| O13 | C31 | C30 | H39 | 111.6° | 53.3° |
| O13 | C31 | C30 | H40 | 8.4° | 173.3° |
| C31 | O13 | C32 | H42 | 89.1° | 78.6° |
| O13 | C31 | C39 | H49 | 143.0° | 116.7° |
| C31 | C30 | O12 | H39 | 120.0° | 120.0° |
| C31 | C30 | O12 | H40 | 120.0° | 120.0° |
| C31 | C30 | O12 | P2 | 144.8° | 180.0° |
| C31 | C30 | H39 | H40 | 120.0° | 120.0° |
| C30 | C31 | C39 | H49 | 21.2° | 2.8° |
| C30 | O12 | P2 | O10 | 92.2° | 55.1° |
| C30 | O12 | P2 | O11 | 47.3° | 65.0° |
| C30 | O12 | P2 | O9 | 158.6° | 175.0° |
| O12 | C30 | H39 | H40 | 119.9° | 120.0° |
| O12 | C30 | C31 | H41 | 8.7° | 54.2° |
| O12 | P2 | O10 | O11 | 137.8° | 120.1° |
| O12 | P2 | O10 | O9 | 100.9° | 120.0° |
| O12 | P2 | O11 | O9 | 99.2° | 120.0° |
| O12 | P2 | O9 | P1 | 8.2° | 165.0° |
| O12 | P2 | O11 | H38 | 141.3° | 60.0° |
| P2 | O12 | C30 | H39 | 24.8° | 59.9° |
| P2 | O12 | C30 | H40 | 95.2° | 60.0° |
| O10 | P2 | O11 | O9 | 119.5° | 120.0° |
| O10 | P2 | O9 | P1 | 113.4° | 45.0° |
| O10 | P2 | O11 | H38 | 0.0° | 180.0° |
| O11 | P2 | O9 | P1 | 121.3° | 75.0° |
| P2 | O9 | P1 | O8 | 29.8° | 40.0° |
| P2 | O9 | P1 | O7 | 103.4° | 80.0° |
| P2 | O9 | P1 | O6 | 133.5° | 160.0° |
| O9 | P2 | O11 | H38 | 119.5° | 60.0° |
| O8 | P1 | O9 | O7 | 133.2° | 120.0° |
| O8 | P1 | O9 | O6 | 103.7° | 120.0° |
| O8 | P1 | O7 | O6 | 145.3° | 120.0° |
| O8 | P1 | O6 | C29 | 173.6° | 55.0° |
| O8 | P1 | O7 | H37 | 0.0° | 180.0° |
| O9 | P1 | O7 | O6 | 90.3° | 120.0° |
| O9 | P1 | O6 | C29 | 67.7° | 175.0° |
| O9 | P1 | O7 | H37 | 124.4° | 60.1° |
| O7 | P1 | O6 | C29 | 20.6° | 65.0° |
| P1 | O6 | C29 | C26 | 138.7° | 180.0° |
| P1 | O6 | C29 | H35 | 100.5° | 60.0° |
| P1 | O6 | C29 | H36 | 17.9° | 60.0° |
| O6 | P1 | O7 | H37 | 145.2° | 59.9° |
| O6 | C29 | C26 | C25 | 72.4° | 180.0° |
| O6 | C29 | C26 | H35 | 120.8° | 120.0° |
| O6 | C29 | C26 | H36 | 120.8° | 120.0° |
| O6 | C29 | C26 | C27 | 52.1° | 60.0° |
| O6 | C29 | C26 | C28 | 168.3° | 60.0° |
| O6 | C29 | H35 | H36 | 117.5° | 120.0° |
| O5 | C25 | C26 | C24 | 122.5° | 120.0° |
| O5 | C25 | C26 | H27 | 118.8° | 120.0° |
| O5 | C25 | C24 | H27 | 118.5° | 119.9° |
| O5 | C25 | C26 | C29 | 94.1° | 58.9° |
| O5 | C25 | C24 | N2 | 2.1° | 7.7° |
| O5 | C25 | C26 | C27 | 32.8° | 178.9° |
| O5 | C25 | C26 | C28 | 155.1° | 61.1° |
| O5 | C25 | C24 | O4 | 177.0° | 172.4° |
| C26 | C25 | C24 | H27 | 118.5° | 120.0° |
| C25 | C26 | C29 | C27 | 124.6° | 120.0° |
| C25 | C26 | C29 | C28 | 119.2° | 120.0° |
| C26 | C25 | C24 | N2 | 120.9° | 112.4° |
| C25 | C26 | C27 | C28 | 124.1° | 120.1° |
| C26 | C25 | C24 | O4 | 60.0° | 67.5° |
| C26 | C25 | O5 | H28 | 180.0° | 59.9° |
| C25 | C26 | C27 | H29 | 180.0° | 67.7° |
| C25 | C26 | C27 | H30 | 60.0° | 172.4° |
| C25 | C26 | C27 | H31 | 60.0° | 52.3° |
| C25 | C26 | C28 | H32 | 180.0° | 59.9° |
| C25 | C26 | C28 | H33 | 60.0° | 180.0° |
| C25 | C26 | C28 | H34 | 60.0° | 60.0° |
| C25 | C26 | C29 | H35 | 166.7° | 60.0° |
| C25 | C26 | C29 | H36 | 48.4° | 60.0° |
| C24 | C25 | C26 | C29 | 143.5° | 178.9° |
| C25 | C24 | N2 | O4 | 179.1° | 179.9° |
| C25 | C24 | N2 | C23 | 177.8° | 174.7° |
| C24 | C25 | C26 | C27 | 89.7° | 61.1° |
| C24 | C25 | C26 | C28 | 32.6° | 58.9° |
| C25 | C24 | N2 | H11 | 2.2° | 5.3° |
| C24 | C25 | O5 | H28 | 55.3° | 60.1° |
| C29 | C26 | C27 | C28 | 109.6° | 120.0° |
| C29 | C26 | C25 | H27 | 24.7° | 61.1° |
| C29 | C26 | C27 | H29 | 53.7° | 172.3° |
| C29 | C26 | C27 | H30 | 173.7° | 52.4° |
| C29 | C26 | C27 | H31 | 66.3° | 67.7° |
| C29 | C26 | C28 | H32 | 61.0° | 60.0° |
| C29 | C26 | C28 | H33 | 59.1° | 60.0° |
| C29 | C26 | C28 | H34 | 179.1° | 180.0° |
| C26 | C29 | H35 | H36 | 117.4° | 120.0° |
| C24 | N2 | C23 | H11 | 180.0° | 180.0° |
| C24 | N2 | C23 | C22 | 73.1° | 180.0° |
| C24 | N2 | C23 | H25 | 47.3° | 60.0° |
| C24 | N2 | C23 | H26 | 166.5° | 60.0° |
| N2 | C24 | C25 | H27 | 120.6° | 127.6° |
| C23 | N2 | C24 | O4 | 1.2° | 5.2° |
| N2 | C23 | C22 | H25 | 120.4° | 120.0° |
| N2 | C23 | C22 | H26 | 120.4° | 120.0° |
| N2 | C23 | C22 | C21 | 36.5° | 180.0° |
| N2 | C23 | C22 | H23 | 83.9° | 60.0° |
| N2 | C23 | C22 | H24 | 157.0° | 60.0° |
| N2 | C23 | H25 | H26 | 118.7° | 120.0° |
| C27 | C26 | C25 | H27 | 151.6° | 58.8° |
| C26 | C27 | H29 | H30 | 120.0° | 120.0° |
| C26 | C27 | H29 | H31 | 120.0° | 120.0° |
| C26 | C27 | H30 | H31 | 120.0° | 120.1° |
| C27 | C26 | C28 | H32 | 58.0° | 180.0° |
| C27 | C26 | C28 | H33 | 178.0° | 60.0° |
| C27 | C26 | C28 | H34 | 62.0° | 60.0° |
| C27 | C26 | C29 | H35 | 68.7° | 180.0° |
| C27 | C26 | C29 | H36 | 173.0° | 60.0° |
| C28 | C26 | C25 | H27 | 86.1° | 178.9° |
| C28 | C26 | C27 | H29 | 55.9° | 52.3° |
| C28 | C26 | C27 | H30 | 64.1° | 67.6° |
| C28 | C26 | C27 | H31 | 176.0° | 172.3° |
| C26 | C28 | H32 | H33 | 120.0° | 120.0° |
| C26 | C28 | H32 | H34 | 120.0° | 120.0° |
| C26 | C28 | H33 | H34 | 120.0° | 120.0° |
| C28 | C26 | C29 | H35 | 47.5° | 60.0° |
| C28 | C26 | C29 | H36 | 70.9° | 180.0° |
| O4 | C24 | N2 | H11 | 178.8° | 174.8° |
| O4 | C24 | C25 | H27 | 58.5° | 52.5° |
| F3 | C14 | F1 | F2 | 109.7° | 120.0° |
| F3 | C14 | F1 | C13 | 126.3° | 120.0° |
| F3 | C14 | F2 | C13 | 123.6° | 120.0° |
| F3 | C14 | C13 | C15 | 108.3° | 60.0° |
| F3 | C14 | C13 | C12 | 71.6° | 120.0° |
| C23 | C22 | C21 | O3 | 40.3° | 0.1° |
| C23 | C22 | C21 | H23 | 120.4° | 120.0° |
| C23 | C22 | C21 | H24 | 120.4° | 120.0° |
| C23 | C22 | C21 | N1 | 139.5° | 180.0° |
| C22 | C23 | N2 | H11 | 106.9° | 0.0° |
| C23 | C22 | H23 | H24 | 118.6° | 120.0° |
| C22 | C23 | H25 | H26 | 118.7° | 120.0° |
| F1 | C14 | F2 | C13 | 124.8° | 120.0° |
| F1 | C14 | C13 | C15 | 14.2° | 60.1° |
| F1 | C14 | C13 | C12 | 165.8° | 120.0° |
| O3 | C21 | C22 | N1 | 179.8° | 179.9° |
| O3 | C21 | N1 | C20 | 2.0° | 0.1° |
| O3 | C21 | N1 | H10 | 178.0° | 180.0° |
| O3 | C21 | C22 | H23 | 160.7° | 120.1° |
| O3 | C21 | C22 | H24 | 80.2° | 120.0° |
| F2 | C14 | C13 | C15 | 133.6° | 180.0° |
| F2 | C14 | C13 | C12 | 46.4° | 0.0° |
| C14 | C13 | C15 | C12 | 180.0° | 180.0° |
| C14 | C13 | C15 | C9 | 179.7° | 179.8° |
| C14 | C13 | C12 | C11 | 179.9° | 180.0° |
| C14 | C13 | C12 | H9 | 0.0° | 0.0° |
| C14 | C13 | C15 | H16 | 0.2° | 0.0° |
| C22 | C21 | N1 | C20 | 178.2° | 180.0° |
| C22 | C21 | N1 | H10 | 1.8° | 0.1° |
| C21 | C22 | H23 | H24 | 118.7° | 120.0° |
| C21 | C22 | C23 | H25 | 156.9° | 59.9° |
| C21 | C22 | C23 | H26 | 83.9° | 60.0° |
| C21 | N1 | C20 | H10 | 180.0° | 179.9° |
| C21 | N1 | C20 | C19 | 72.4° | 180.0° |
| C21 | N1 | C20 | H21 | 48.1° | 60.0° |
| C21 | N1 | C20 | H22 | 167.1° | 60.1° |
| N1 | C21 | C22 | H23 | 19.1° | 60.0° |
| N1 | C21 | C22 | H24 | 100.0° | 59.9° |
| C13 | C15 | C9 | H16 | 180.0° | 179.8° |
| C13 | C15 | C9 | C8 | 179.6° | 179.7° |
| C13 | C15 | C9 | C10 | 0.8° | 0.2° |
| C15 | C13 | C12 | C11 | 0.1° | 0.0° |
| C15 | C13 | C12 | H9 | 180.0° | 180.0° |
| C9 | C15 | C13 | C12 | 0.3° | 0.3° |
| C15 | C9 | C8 | C10 | 178.7° | 179.9° |
| C15 | C9 | C8 | C7 | 82.2° | 89.9° |
| C15 | C9 | C10 | C11 | 0.9° | 0.1° |
| C15 | C9 | C8 | H6 | 38.8° | 150.0° |
| C15 | C9 | C8 | H7 | 156.8° | 30.1° |
| C15 | C9 | C10 | H8 | 179.0° | 180.0° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C13 | C12 | C11 | H3 | 179.9° | 180.0° |
| C12 | C13 | C15 | H16 | 179.7° | 180.0° |
| C9 | C8 | C7 | H6 | 121.0° | 120.0° |
| C9 | C8 | C7 | H7 | 121.0° | 120.0° |
| C9 | C8 | C7 | O1 | 55.2° | 180.0° |
| C8 | C9 | C10 | C11 | 179.7° | 180.0° |
| C9 | C8 | C7 | H4 | 174.9° | 60.0° |
| C9 | C8 | C7 | H5 | 64.6° | 60.0° |
| C9 | C8 | H6 | H7 | 116.9° | 119.9° |
| C8 | C9 | C10 | H8 | 0.3° | 0.1° |
| C8 | C9 | C15 | H16 | 0.5° | 0.1° |
| C7 | C8 | C9 | C10 | 99.0° | 89.9° |
| C8 | C7 | O1 | H4 | 119.7° | 120.1° |
| C8 | C7 | O1 | H5 | 119.8° | 120.0° |
| C8 | C7 | O1 | C6 | 169.7° | 180.0° |
| C8 | C7 | H4 | H5 | 120.8° | 120.0° |
| C7 | C8 | H6 | H7 | 116.9° | 120.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.3° |
| C9 | C10 | C11 | H8 | 180.0° | 179.9° |
| C9 | C10 | C11 | H3 | 179.4° | 179.9° |
| C10 | C9 | C8 | H6 | 140.0° | 30.1° |
| C10 | C9 | C8 | H7 | 22.0° | 150.0° |
| C10 | C9 | C15 | H16 | 179.3° | 180.0° |
| C12 | C11 | C10 | H3 | 180.0° | 179.7° |
| C12 | C11 | C10 | H8 | 179.4° | 179.8° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | O1 | 178.9° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.6° |
| C4 | C5 | C6 | C16 | 1.1° | 0.0° |
| C5 | C4 | C3 | S1 | 179.6° | 179.8° |
| C5 | C4 | C3 | C17 | 0.2° | 0.3° |
| C5 | C6 | O1 | C7 | 110.4° | 180.0° |
| C5 | C6 | O1 | C16 | 177.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.1° |
| C5 | C6 | C16 | C17 | 1.1° | 0.2° |
| C6 | C5 | C4 | H1 | 179.5° | 179.7° |
| C5 | C6 | C16 | H17 | 178.9° | 180.0° |
| N1 | C20 | C19 | H21 | 120.5° | 120.0° |
| N1 | C20 | C19 | H22 | 120.5° | 120.0° |
| N1 | C20 | C19 | S2 | 171.6° | 180.0° |
| N1 | C20 | C19 | H19 | 67.3° | 60.1° |
| N1 | C20 | C19 | H20 | 50.4° | 60.0° |
| N1 | C20 | H21 | H22 | 118.4° | 120.0° |
| C7 | O1 | C6 | C16 | 71.9° | 0.0° |
| O1 | C7 | H4 | H5 | 120.7° | 120.0° |
| O1 | C7 | C8 | H6 | 65.8° | 60.0° |
| O1 | C7 | C8 | H7 | 176.2° | 60.0° |
| O1 | C6 | C16 | C17 | 178.9° | 179.7° |
| O1 | C6 | C5 | H2 | 1.1° | 0.0° |
| C6 | O1 | C7 | H4 | 50.0° | 60.0° |
| C6 | O1 | C7 | H5 | 70.5° | 60.0° |
| O1 | C6 | C16 | H17 | 1.1° | 0.0° |
| C20 | C19 | S2 | H19 | 121.2° | 120.0° |
| C20 | C19 | S2 | H20 | 121.2° | 120.0° |
| C20 | C19 | S2 | C18 | 97.5° | 180.0° |
| C19 | C20 | N1 | H10 | 107.6° | 0.0° |
| C20 | C19 | H19 | H20 | 116.2° | 120.0° |
| C19 | C20 | H21 | H22 | 118.4° | 120.0° |
| C4 | C3 | S1 | C17 | 179.4° | 179.9° |
| C4 | C3 | C17 | C16 | 0.2° | 0.5° |
| C4 | C3 | S1 | C2 | 122.0° | 176.0° |
| C3 | C4 | C5 | H2 | 179.5° | 180.0° |
| C4 | C3 | C17 | H18 | 179.8° | 180.0° |
| C10 | C11 | C12 | H9 | 179.9° | 179.7° |
| C6 | C16 | C17 | C3 | 0.4° | 0.5° |
| C6 | C16 | C17 | H17 | 180.0° | 179.7° |
| C16 | C6 | C5 | H2 | 178.9° | 180.0° |
| C6 | C16 | C17 | H18 | 179.6° | 180.0° |
| C19 | S2 | C18 | C2 | 165.1° | 180.0° |
| C19 | S2 | C18 | O2 | 10.6° | 0.0° |
| S2 | C19 | H19 | H20 | 116.2° | 120.0° |
| S2 | C19 | C20 | H21 | 51.0° | 60.0° |
| S2 | C19 | C20 | H22 | 67.9° | 60.0° |
| S2 | C18 | C2 | S1 | 42.9° | 155.0° |
| S2 | C18 | C2 | O2 | 175.7° | 180.0° |
| S2 | C18 | C2 | C1 | 168.6° | 85.0° |
| S2 | C18 | C2 | H15 | 72.7° | 35.0° |
| C18 | S2 | C19 | H19 | 23.7° | 60.0° |
| C18 | S2 | C19 | H20 | 141.4° | 60.0° |
| S1 | C3 | C17 | C16 | 179.6° | 179.5° |
| C3 | S1 | C2 | C18 | 129.4° | 69.6° |
| C3 | S1 | C2 | C1 | 106.4° | 170.4° |
| S1 | C3 | C4 | H1 | 0.4° | 0.1° |
| C3 | S1 | C2 | H15 | 11.8° | 50.4° |
| S1 | C3 | C17 | H18 | 0.4° | 0.1° |
| C3 | C17 | C16 | H18 | 180.0° | 179.5° |
| C17 | C3 | S1 | C2 | 57.4° | 4.1° |
| C17 | C3 | C4 | H1 | 179.8° | 180.0° |
| C3 | C17 | C16 | H17 | 179.6° | 179.8° |
| S1 | C2 | C18 | C1 | 125.7° | 120.0° |
| S1 | C2 | C18 | H15 | 115.6° | 120.0° |
| S1 | C2 | C18 | O2 | 141.4° | 25.0° |
| S1 | C2 | C1 | H15 | 116.3° | 120.0° |
| S1 | C2 | C1 | H12 | 180.0° | 55.2° |
| S1 | C2 | C1 | H13 | 60.0° | 64.9° |
| S1 | C2 | C1 | H14 | 60.0° | 175.2° |
| C18 | C2 | C1 | H15 | 118.7° | 120.0° |
| C18 | C2 | C1 | H12 | 55.1° | 64.8° |
| C18 | C2 | C1 | H13 | 65.0° | 175.1° |
| C18 | C2 | C1 | H14 | 175.0° | 55.2° |
| O2 | C18 | C2 | C1 | 15.7° | 95.0° |
| O2 | C18 | C2 | H15 | 103.0° | 145.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 0.4° | 0.3° |
| H3 | C11 | C10 | H8 | 0.7° | 0.0° |
| H3 | C11 | C12 | H9 | 0.1° | 0.0° |
| H4 | C7 | C8 | H6 | 53.9° | 60.1° |
| H4 | C7 | C8 | H7 | 64.1° | 180.0° |
| H5 | C7 | C8 | H6 | 174.4° | 180.0° |
| H5 | C7 | C8 | H7 | 56.4° | 60.0° |
| H10 | N1 | C20 | H21 | 131.8° | 119.9° |
| H10 | N1 | C20 | H22 | 12.9° | 120.0° |
| H11 | N2 | C23 | H25 | 132.7° | 120.0° |
| H11 | N2 | C23 | H26 | 13.5° | 120.0° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H12 | C1 | C2 | H15 | 63.7° | 175.2° |
| H13 | C1 | C2 | H15 | 176.3° | 55.1° |
| H14 | C1 | C2 | H15 | 56.3° | 64.8° |
| H17 | C16 | C17 | H18 | 0.4° | 0.3° |
| H19 | C19 | C20 | H21 | 172.2° | 59.9° |
| H19 | C19 | C20 | H22 | 53.3° | 180.0° |
| H20 | C19 | C20 | H21 | 70.2° | 180.0° |
| H20 | C19 | C20 | H22 | 170.9° | 60.0° |
| H23 | C22 | C23 | H25 | 36.5° | 60.1° |
| H23 | C22 | C23 | H26 | 155.7° | 180.0° |
| H24 | C22 | C23 | H25 | 82.6° | 180.0° |
| H24 | C22 | C23 | H26 | 36.5° | 60.0° |
| H27 | C25 | O5 | H28 | 62.3° | 180.0° |
| H29 | C27 | H30 | H31 | 120.0° | 120.0° |
| H32 | C28 | H33 | H34 | 120.0° | 120.0° |
| H39 | C30 | C31 | H41 | 128.7° | 174.3° |
| H40 | C30 | C31 | H41 | 111.3° | 65.8° |
| H41 | C31 | C39 | H49 | 99.9° | 123.8° |
| H42 | C32 | C38 | H47 | 169.7° | 160.3° |
| H47 | C38 | O14 | H48 | 60.4° | 62.1° |
| H47 | C38 | C39 | H49 | 40.9° | 21.3° |
