A1JJX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C32 | sing | 1.32Å | 1.34Å | Aromatic |
| N6 | C31 | doub | 1.33Å | 1.36Å | Aromatic |
| C32 | N7 | doub | 1.32Å | 1.33Å | Aromatic |
| N5 | C31 | sing | 1.38Å | 1.33Å | |
| C31 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
| N7 | C33 | sing | 1.33Å | 1.34Å | Aromatic |
| C30 | C33 | doub | 1.41Å | 1.38Å | Aromatic |
| C30 | N4 | sing | 1.35Å | 1.38Å | Aromatic |
| C33 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| O15 | C34 | sing | 1.43Å | 1.41Å | |
| N4 | C29 | doub | 1.30Å | 1.31Å | Aromatic |
| O19 | P3 | doub | 1.48Å | 1.51Å | |
| N3 | C28 | sing | 1.46Å | 1.46Å | |
| N3 | C29 | sing | 1.36Å | 1.37Å | Aromatic |
| C28 | C34 | sing | 1.55Å | 1.52Å | |
| C28 | O14 | sing | 1.44Å | 1.42Å | |
| C34 | C35 | sing | 1.55Å | 1.53Å | |
| O16 | P3 | sing | 1.61Å | 1.63Å | |
| O16 | C35 | sing | 1.43Å | 1.43Å | |
| P3 | O18 | sing | 1.61Å | 1.53Å | |
| P3 | O17 | sing | 1.61Å | 1.52Å | |
| C35 | C27 | sing | 1.54Å | 1.54Å | |
| O14 | C27 | sing | 1.44Å | 1.45Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | O13 | sing | 1.43Å | 1.47Å | |
| O13 | P2 | sing | 1.61Å | 1.60Å | |
| P2 | O11 | doub | 1.48Å | 1.49Å | |
| P2 | O10 | sing | 1.61Å | 1.61Å | |
| P2 | O12 | sing | 1.61Å | 1.49Å | |
| O10 | P1 | sing | 1.61Å | 1.59Å | |
| O8 | P1 | doub | 1.48Å | 1.48Å | |
| O9 | P1 | sing | 1.61Å | 1.49Å | |
| P1 | O7 | sing | 1.61Å | 1.60Å | |
| O6 | C21 | sing | 1.43Å | 1.43Å | |
| O7 | C25 | sing | 1.43Å | 1.45Å | |
| C25 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| N2 | C20 | sing | 1.35Å | 1.33Å | |
| N2 | C19 | sing | 1.46Å | 1.46Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C20 | O5 | doub | 1.21Å | 1.23Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| O4 | C17 | doub | 1.21Å | 1.25Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C2 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C38 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | N1 | sing | 1.35Å | 1.33Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | O2 | sing | 1.43Å | 1.44Å | |
| N1 | C16 | sing | 1.46Å | 1.48Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C8 | sing | 1.36Å | 1.38Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | S2 | sing | 1.81Å | 1.83Å | |
| C8 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| S2 | C14 | sing | 1.71Å | 1.77Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | S1 | sing | 1.76Å | 1.78Å | |
| S1 | C12 | sing | 1.81Å | 1.86Å | |
| C14 | C12 | sing | 1.51Å | 1.52Å | |
| C14 | O3 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| O6 | H26 | sing | 0.97Å | 0.95Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| O9 | H35 | sing | 0.97Å | 0.95Å | |
| O12 | H36 | sing | 0.97Å | 0.95Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.08Å | 1.08Å | |
| N5 | H42 | sing | 0.97Å | 1.00Å | |
| N5 | H43 | sing | 0.97Å | 1.00Å | |
| C32 | H44 | sing | 1.08Å | 1.08Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| O15 | H46 | sing | 0.97Å | 0.95Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| O17 | H48 | sing | 0.97Å | 0.95Å | |
| O18 | H49 | sing | 0.97Å | 0.95Å | |
| C36 | H50 | sing | 1.08Å | 1.08Å | |
| C37 | H51 | sing | 1.08Å | 1.08Å | |
| C38 | H52 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | N6 | C31 | 118.8° | 121.2° |
| N6 | C32 | N7 | 129.2° | 122.5° |
| N6 | C32 | H44 | 115.4° | 118.8° |
| N6 | C31 | N5 | 119.0° | 120.7° |
| N6 | C31 | C30 | 117.1° | 118.4° |
| C32 | N7 | C33 | 110.7° | 120.6° |
| N7 | C32 | H44 | 115.4° | 118.7° |
| N5 | C31 | C30 | 123.7° | 120.8° |
| C31 | N5 | H42 | 109.5° | 120.0° |
| C31 | N5 | H43 | 109.5° | 120.1° |
| C31 | C30 | C33 | 117.3° | 118.2° |
| C31 | C30 | N4 | 132.0° | 134.7° |
| N7 | C33 | C30 | 126.8° | 119.1° |
| N7 | C33 | N3 | 127.5° | 134.9° |
| C33 | C30 | N4 | 110.7° | 107.1° |
| C30 | C33 | N3 | 105.7° | 106.0° |
| C30 | N4 | C29 | 104.1° | 109.5° |
| C33 | N3 | C28 | 125.2° | 126.3° |
| C33 | N3 | C29 | 106.1° | 107.4° |
| O15 | C34 | C28 | 106.2° | 110.9° |
| O15 | C34 | C35 | 118.0° | 110.8° |
| O15 | C34 | H45 | 111.7° | 110.9° |
| C34 | O15 | H46 | 109.5° | 114.0° |
| N4 | C29 | N3 | 113.4° | 110.0° |
| N4 | C29 | H41 | 123.3° | 125.0° |
| O19 | P3 | O16 | 104.5° | 109.5° |
| O19 | P3 | O18 | 116.6° | 109.5° |
| O19 | P3 | O17 | 103.8° | 109.5° |
| C28 | N3 | C29 | 128.2° | 126.3° |
| N3 | C28 | C34 | 117.8° | 110.7° |
| N3 | C28 | O14 | 106.7° | 110.6° |
| N3 | C28 | H40 | 109.3° | 110.4° |
| N3 | C29 | H41 | 123.3° | 125.0° |
| C34 | C28 | O14 | 104.4° | 103.5° |
| C28 | C34 | C35 | 100.3° | 102.1° |
| C34 | C28 | H40 | 108.6° | 110.6° |
| C28 | C34 | H45 | 110.0° | 110.9° |
| C28 | O14 | C27 | 109.4° | 107.0° |
| O14 | C28 | H40 | 109.8° | 110.8° |
| C34 | C35 | O16 | 115.4° | 110.5° |
| C34 | C35 | C27 | 102.6° | 104.0° |
| C35 | C34 | H45 | 109.8° | 111.0° |
| C34 | C35 | H47 | 109.4° | 110.5° |
| P3 | O16 | C35 | 125.8° | 122.9° |
| O16 | P3 | O18 | 105.2° | 109.4° |
| O16 | P3 | O17 | 114.2° | 109.5° |
| O16 | C35 | C27 | 108.6° | 110.6° |
| O16 | C35 | H47 | 111.0° | 110.6° |
| O18 | P3 | O17 | 112.5° | 109.4° |
| P3 | O18 | H49 | 109.5° | 114.0° |
| P3 | O17 | H48 | 109.5° | 114.0° |
| C35 | C27 | O14 | 105.7° | 107.4° |
| C35 | C27 | C26 | 117.3° | 109.9° |
| C35 | C27 | H39 | 107.7° | 109.9° |
| C27 | C35 | H47 | 109.4° | 110.5° |
| O14 | C27 | C26 | 109.1° | 109.9° |
| O14 | C27 | H39 | 108.9° | 109.9° |
| C27 | C26 | O13 | 109.7° | 109.5° |
| C27 | C26 | H37 | 109.4° | 109.5° |
| C27 | C26 | H38 | 109.4° | 109.5° |
| C26 | C27 | H39 | 108.0° | 109.8° |
| C26 | O13 | P2 | 118.7° | 123.0° |
| O13 | C26 | H37 | 109.4° | 109.4° |
| O13 | C26 | H38 | 109.4° | 109.5° |
| O13 | P2 | O11 | 110.0° | 109.5° |
| O13 | P2 | O10 | 96.8° | 109.5° |
| O13 | P2 | O12 | 111.6° | 109.5° |
| O11 | P2 | O10 | 108.3° | 109.5° |
| O11 | P2 | O12 | 112.1° | 109.5° |
| O10 | P2 | O12 | 117.0° | 109.4° |
| P2 | O10 | P1 | 127.3° | 134.0° |
| P2 | O12 | H36 | 109.5° | 114.0° |
| O10 | P1 | O8 | 104.0° | 109.4° |
| O10 | P1 | O9 | 105.7° | 109.5° |
| O10 | P1 | O7 | 108.1° | 109.5° |
| O8 | P1 | O9 | 130.4° | 109.5° |
| O8 | P1 | O7 | 110.2° | 109.5° |
| O9 | P1 | O7 | 97.0° | 109.5° |
| P1 | O9 | H35 | 109.5° | 114.0° |
| P1 | O7 | C25 | 122.4° | 123.0° |
| O6 | C21 | C22 | 107.4° | 109.5° |
| O6 | C21 | C20 | 111.8° | 109.5° |
| O6 | C21 | H25 | 109.1° | 109.4° |
| C21 | O6 | H26 | 109.5° | 113.9° |
| O7 | C25 | C22 | 109.7° | 109.5° |
| O7 | C25 | H33 | 109.4° | 109.4° |
| O7 | C25 | H34 | 109.4° | 109.5° |
| C25 | C22 | C21 | 111.5° | 109.5° |
| C25 | C22 | C24 | 103.8° | 109.4° |
| C25 | C22 | C23 | 110.8° | 109.5° |
| C22 | C25 | H33 | 109.4° | 109.5° |
| C22 | C25 | H34 | 109.4° | 109.5° |
| C22 | C21 | C20 | 113.1° | 109.5° |
| C21 | C22 | C24 | 111.9° | 109.5° |
| C21 | C22 | C23 | 110.0° | 109.5° |
| C22 | C21 | H25 | 107.4° | 109.5° |
| C21 | C20 | N2 | 116.2° | 120.1° |
| C21 | C20 | O5 | 120.4° | 120.0° |
| C20 | C21 | H25 | 107.8° | 109.5° |
| C20 | N2 | C19 | 122.7° | 120.0° |
| N2 | C20 | O5 | 123.3° | 120.0° |
| C20 | N2 | H12 | 118.7° | 120.0° |
| N2 | C19 | C18 | 113.5° | 109.5° |
| C19 | N2 | H12 | 118.7° | 120.0° |
| N2 | C19 | H23 | 108.4° | 109.5° |
| N2 | C19 | H24 | 108.5° | 109.5° |
| C1 | O1 | C2 | 119.5° | 117.0° |
| O1 | C1 | H14 | 109.5° | 109.5° |
| O1 | C1 | H15 | 109.5° | 109.5° |
| O1 | C1 | H16 | 109.5° | 109.5° |
| C24 | C22 | C23 | 108.6° | 109.5° |
| C22 | C24 | H30 | 109.5° | 109.5° |
| C22 | C24 | H31 | 109.4° | 109.4° |
| C22 | C24 | H32 | 109.5° | 109.5° |
| C22 | C23 | H27 | 109.5° | 109.4° |
| C22 | C23 | H28 | 109.4° | 109.5° |
| C22 | C23 | H29 | 109.4° | 109.4° |
| C19 | C18 | C17 | 113.4° | 109.5° |
| C19 | C18 | H21 | 108.5° | 109.5° |
| C19 | C18 | H22 | 108.5° | 109.4° |
| C18 | C19 | H23 | 108.5° | 109.4° |
| C18 | C19 | H24 | 108.4° | 109.4° |
| O1 | C2 | C38 | 120.9° | 120.1° |
| O1 | C2 | C3 | 119.7° | 120.1° |
| O4 | C17 | C18 | 122.3° | 120.0° |
| O4 | C17 | N1 | 121.9° | 120.0° |
| C18 | C17 | N1 | 115.8° | 120.0° |
| C17 | C18 | H21 | 108.5° | 109.5° |
| C17 | C18 | H22 | 108.5° | 109.5° |
| C38 | C2 | C3 | 119.3° | 119.9° |
| C2 | C38 | C6 | 120.9° | 120.0° |
| C2 | C38 | H52 | 119.5° | 120.0° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | H13 | 120.1° | 120.0° |
| C38 | C6 | C7 | 119.9° | 120.0° |
| C38 | C6 | C5 | 119.0° | 120.0° |
| C6 | C38 | H52 | 119.5° | 120.0° |
| C17 | N1 | C16 | 122.1° | 120.0° |
| C17 | N1 | H11 | 118.9° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.0° |
| C3 | C4 | H1 | 119.8° | 120.0° |
| C4 | C3 | H13 | 120.1° | 120.0° |
| C7 | C6 | C5 | 121.1° | 120.0° |
| C6 | C7 | O2 | 111.1° | 109.4° |
| C6 | C7 | H3 | 109.0° | 109.4° |
| C6 | C7 | H4 | 109.0° | 109.5° |
| C6 | C5 | C4 | 120.4° | 120.1° |
| C6 | C5 | H2 | 119.8° | 119.9° |
| C7 | O2 | C8 | 119.0° | 117.0° |
| O2 | C7 | H3 | 109.1° | 109.5° |
| O2 | C7 | H4 | 109.1° | 109.5° |
| N1 | C16 | C15 | 113.4° | 109.5° |
| C16 | N1 | H11 | 118.9° | 120.0° |
| N1 | C16 | H19 | 108.5° | 109.5° |
| N1 | C16 | H20 | 108.5° | 109.5° |
| C5 | C4 | H1 | 119.8° | 120.0° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| O2 | C8 | C9 | 123.1° | 120.0° |
| O2 | C8 | C37 | 117.4° | 120.0° |
| C16 | C15 | S2 | 115.6° | 109.5° |
| C16 | C15 | H17 | 107.9° | 109.4° |
| C16 | C15 | H18 | 107.9° | 109.5° |
| C15 | C16 | H19 | 108.5° | 109.5° |
| C15 | C16 | H20 | 108.5° | 109.5° |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C9 | C8 | C37 | 119.5° | 120.0° |
| C8 | C9 | H5 | 119.8° | 120.0° |
| C9 | C10 | C11 | 120.6° | 120.0° |
| C10 | C9 | H5 | 119.9° | 120.0° |
| C9 | C10 | H6 | 119.7° | 120.0° |
| C15 | S2 | C14 | 103.4° | 100.0° |
| S2 | C15 | H17 | 107.9° | 109.5° |
| S2 | C15 | H18 | 107.9° | 109.5° |
| C8 | C37 | C36 | 120.2° | 120.1° |
| C8 | C37 | H51 | 119.9° | 119.9° |
| S2 | C14 | C12 | 115.1° | 120.0° |
| S2 | C14 | O3 | 121.5° | 120.0° |
| C10 | C11 | C36 | 118.6° | 119.9° |
| C10 | C11 | S1 | 120.6° | 120.0° |
| C11 | C10 | H6 | 119.7° | 120.0° |
| C37 | C36 | C11 | 120.7° | 120.0° |
| C37 | C36 | H50 | 119.6° | 120.0° |
| C36 | C37 | H51 | 119.9° | 120.0° |
| C36 | C11 | S1 | 120.8° | 120.0° |
| C11 | C36 | H50 | 119.6° | 120.0° |
| C11 | S1 | C12 | 110.7° | 103.0° |
| S1 | C12 | C14 | 112.9° | 109.5° |
| S1 | C12 | C13 | 114.9° | 109.5° |
| S1 | C12 | H7 | 104.3° | 109.4° |
| C12 | C14 | O3 | 123.2° | 120.0° |
| C14 | C12 | C13 | 109.2° | 109.5° |
| C14 | C12 | H7 | 107.5° | 109.5° |
| C13 | C12 | H7 | 107.6° | 109.5° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C12 | C13 | H9 | 109.4° | 109.5° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.4° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H10 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.4° |
| H14 | C1 | H15 | 109.5° | 109.4° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.4° |
| H21 | C18 | H22 | 109.5° | 109.4° |
| H23 | C19 | H24 | 109.5° | 109.4° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H27 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.5° |
| H30 | C24 | H32 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.4° | 109.4° |
| H37 | C26 | H38 | 109.5° | 109.5° |
| H42 | N5 | H43 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C32 | N7 | H44 | 180.0° | 180.0° |
| C32 | N6 | C31 | N5 | 178.8° | 180.0° |
| C32 | N6 | C31 | C30 | 2.8° | 0.0° |
| N6 | C32 | N7 | C33 | 0.4° | 0.1° |
| C31 | N6 | C32 | N7 | 1.6° | 0.0° |
| N6 | C31 | N5 | C30 | 175.7° | 180.0° |
| N6 | C31 | C30 | C33 | 2.2° | 0.0° |
| N6 | C31 | C30 | N4 | 177.7° | 179.4° |
| N6 | C31 | N5 | H42 | 0.0° | 179.9° |
| N6 | C31 | N5 | H43 | 120.0° | 0.0° |
| C31 | N6 | C32 | H44 | 178.4° | 180.0° |
| C32 | N7 | C33 | C30 | 1.1° | 0.1° |
| C32 | N7 | C33 | N3 | 179.2° | 180.0° |
| N5 | C31 | C30 | C33 | 178.0° | 180.0° |
| N5 | C31 | C30 | N4 | 1.9° | 0.6° |
| C31 | N5 | H42 | H43 | 120.0° | 179.9° |
| C31 | C30 | C33 | N7 | 0.1° | 0.1° |
| C31 | C30 | C33 | N4 | 179.9° | 179.6° |
| C31 | C30 | C33 | N3 | 179.6° | 180.0° |
| C31 | C30 | N4 | C29 | 178.8° | 179.7° |
| C30 | C31 | N5 | H42 | 175.7° | 0.1° |
| C30 | C31 | N5 | H43 | 55.7° | 180.0° |
| N7 | C33 | C30 | N3 | 179.8° | 179.9° |
| N7 | C33 | C30 | N4 | 179.8° | 179.7° |
| N7 | C33 | N3 | C28 | 6.2° | 0.0° |
| N7 | C33 | N3 | C29 | 178.4° | 179.7° |
| C33 | N7 | C32 | H44 | 179.6° | 179.9° |
| C33 | C30 | N4 | C29 | 1.1° | 0.3° |
| C30 | C33 | N3 | C28 | 174.1° | 179.9° |
| C30 | C33 | N3 | C29 | 1.8° | 0.4° |
| N4 | C30 | C33 | N3 | 0.5° | 0.4° |
| C30 | N4 | C29 | N3 | 2.4° | 0.0° |
| C30 | N4 | C29 | H41 | 177.7° | 180.0° |
| C33 | N3 | C29 | N4 | 2.7° | 0.3° |
| C33 | N3 | C28 | C29 | 170.5° | 179.6° |
| C33 | N3 | C28 | C34 | 115.9° | 84.7° |
| C33 | N3 | C28 | O14 | 127.2° | 161.2° |
| C33 | N3 | C28 | H40 | 8.6° | 38.2° |
| C33 | N3 | C29 | H41 | 177.3° | 179.7° |
| O15 | C34 | C28 | N3 | 77.1° | 86.3° |
| O15 | C34 | C28 | C35 | 123.3° | 118.1° |
| O15 | C34 | C28 | H45 | 121.1° | 123.6° |
| O15 | C34 | C28 | O14 | 164.8° | 155.2° |
| O15 | C34 | C35 | H45 | 129.5° | 123.6° |
| O15 | C34 | C35 | O16 | 33.8° | 20.4° |
| O15 | C34 | C35 | C27 | 151.7° | 139.1° |
| O15 | C34 | C28 | H40 | 47.8° | 36.4° |
| O15 | C34 | C35 | H47 | 92.2° | 102.3° |
| N4 | C29 | N3 | C28 | 174.7° | 180.0° |
| N4 | C29 | N3 | H41 | 180.0° | 180.0° |
| O19 | P3 | O16 | O18 | 123.4° | 120.0° |
| O19 | P3 | O16 | O17 | 112.8° | 120.1° |
| O19 | P3 | O16 | C35 | 98.2° | 55.0° |
| O19 | P3 | O18 | O17 | 119.8° | 120.0° |
| O19 | P3 | O17 | H48 | 0.0° | 179.9° |
| O19 | P3 | O18 | H49 | 0.0° | 60.0° |
| N3 | C28 | C34 | O14 | 118.1° | 118.6° |
| N3 | C28 | C34 | H40 | 124.8° | 122.7° |
| N3 | C28 | O14 | H40 | 118.4° | 122.8° |
| N3 | C28 | C34 | C35 | 159.6° | 155.6° |
| N3 | C28 | O14 | C27 | 155.5° | 158.6° |
| C28 | N3 | C29 | H41 | 5.3° | 0.0° |
| N3 | C28 | C34 | H45 | 44.0° | 37.4° |
| C29 | N3 | C28 | C34 | 73.5° | 95.0° |
| C29 | N3 | C28 | O14 | 43.3° | 19.2° |
| C29 | N3 | C28 | H40 | 162.0° | 142.2° |
| C34 | C28 | O14 | H40 | 116.2° | 118.6° |
| C28 | C34 | C35 | H45 | 115.8° | 118.2° |
| C28 | C34 | C35 | O16 | 80.9° | 97.8° |
| C28 | C34 | C35 | C27 | 37.0° | 21.0° |
| C34 | C28 | O14 | C27 | 30.1° | 40.0° |
| C28 | C34 | O15 | H46 | 180.0° | 61.5° |
| C28 | C34 | C35 | H47 | 153.1° | 139.5° |
| O14 | C28 | C34 | C35 | 41.5° | 37.1° |
| C28 | O14 | C27 | C35 | 5.6° | 26.4° |
| C28 | O14 | C27 | C26 | 132.5° | 145.9° |
| C28 | O14 | C27 | H39 | 109.9° | 93.1° |
| O14 | C28 | C34 | H45 | 74.1° | 81.2° |
| C34 | C35 | O16 | P3 | 121.3° | 121.5° |
| C34 | C35 | O16 | C27 | 114.5° | 114.6° |
| C34 | C35 | O16 | H47 | 125.2° | 122.6° |
| C34 | C35 | C27 | H47 | 116.1° | 118.6° |
| C34 | C35 | C27 | O14 | 20.6° | 1.9° |
| C34 | C35 | C27 | C26 | 101.2° | 121.4° |
| C34 | C35 | C27 | H39 | 136.8° | 117.6° |
| C35 | C34 | C28 | H40 | 75.5° | 81.7° |
| C35 | C34 | O15 | H46 | 68.6° | 174.2° |
| O16 | P3 | O18 | O17 | 124.9° | 120.0° |
| P3 | O16 | C35 | C27 | 124.2° | 123.9° |
| P3 | O16 | C35 | H47 | 3.8° | 1.1° |
| O16 | P3 | O17 | H48 | 113.2° | 59.9° |
| O16 | P3 | O18 | H49 | 115.3° | 180.0° |
| C35 | O16 | P3 | O18 | 138.4° | 175.0° |
| C35 | O16 | P3 | O17 | 14.6° | 65.0° |
| O16 | C35 | C27 | H47 | 121.3° | 122.8° |
| O16 | C35 | C27 | O14 | 102.1° | 120.5° |
| O16 | C35 | C27 | C26 | 136.2° | 119.9° |
| O16 | C35 | C27 | H39 | 14.2° | 1.0° |
| O16 | C35 | C34 | H45 | 163.3° | 144.0° |
| O18 | P3 | O17 | H48 | 127.0° | 60.0° |
| O17 | P3 | O18 | H49 | 119.8° | 60.0° |
| C35 | C27 | O14 | C26 | 126.9° | 119.5° |
| C35 | C27 | O14 | H39 | 115.5° | 119.6° |
| C35 | C27 | C26 | H39 | 121.8° | 121.0° |
| C35 | C27 | C26 | O13 | 48.0° | 175.3° |
| C35 | C27 | C26 | H37 | 72.0° | 64.7° |
| C35 | C27 | C26 | H38 | 168.1° | 55.3° |
| C27 | C35 | C34 | H45 | 78.8° | 97.3° |
| O14 | C27 | C26 | H39 | 118.2° | 121.0° |
| O14 | C27 | C26 | O13 | 168.0° | 66.7° |
| O14 | C27 | C26 | H37 | 48.0° | 53.3° |
| O14 | C27 | C26 | H38 | 71.9° | 173.3° |
| C27 | O14 | C28 | H40 | 86.1° | 78.6° |
| O14 | C27 | C35 | H47 | 136.6° | 116.6° |
| C27 | C26 | O13 | H37 | 120.0° | 120.0° |
| C27 | C26 | O13 | H38 | 120.0° | 120.0° |
| C27 | C26 | O13 | P2 | 159.6° | 180.0° |
| C27 | C26 | H37 | H38 | 119.9° | 120.0° |
| C26 | C27 | C35 | H47 | 14.9° | 2.9° |
| C26 | O13 | P2 | O11 | 60.8° | 55.0° |
| C26 | O13 | P2 | O10 | 51.5° | 175.0° |
| C26 | O13 | P2 | O12 | 174.1° | 65.0° |
| O13 | C26 | H37 | H38 | 119.9° | 120.0° |
| O13 | C26 | C27 | H39 | 73.8° | 54.3° |
| O13 | P2 | O11 | O10 | 104.6° | 120.0° |
| O13 | P2 | O11 | O12 | 124.8° | 120.0° |
| O13 | P2 | O10 | O12 | 118.5° | 120.0° |
| O13 | P2 | O10 | P1 | 124.5° | 160.0° |
| O13 | P2 | O12 | H36 | 123.9° | 60.0° |
| P2 | O13 | C26 | H37 | 80.3° | 60.0° |
| P2 | O13 | C26 | H38 | 39.6° | 60.0° |
| O11 | P2 | O10 | O12 | 127.8° | 120.0° |
| O11 | P2 | O10 | P1 | 121.8° | 39.9° |
| O11 | P2 | O12 | H36 | 0.0° | 180.0° |
| P2 | O10 | P1 | O8 | 167.5° | 40.1° |
| P2 | O10 | P1 | O9 | 27.7° | 79.9° |
| P2 | O10 | P1 | O7 | 75.3° | 160.0° |
| O10 | P2 | O12 | H36 | 126.0° | 60.0° |
| O12 | P2 | O10 | P1 | 6.1° | 80.1° |
| O10 | P1 | O8 | O9 | 125.4° | 120.0° |
| O10 | P1 | O8 | O7 | 115.6° | 120.0° |
| O10 | P1 | O9 | O7 | 111.0° | 120.0° |
| O10 | P1 | O7 | C25 | 65.9° | 175.0° |
| O10 | P1 | O9 | H35 | 124.8° | 60.0° |
| O8 | P1 | O9 | O7 | 124.2° | 120.0° |
| O8 | P1 | O7 | C25 | 47.2° | 55.0° |
| O8 | P1 | O9 | H35 | 0.0° | 180.0° |
| O9 | P1 | O7 | C25 | 175.0° | 65.0° |
| P1 | O7 | C25 | C22 | 147.5° | 180.0° |
| P1 | O7 | C25 | H33 | 27.5° | 59.9° |
| P1 | O7 | C25 | H34 | 92.4° | 60.0° |
| O7 | P1 | O9 | H35 | 124.1° | 60.0° |
| O6 | C21 | C22 | C25 | 57.0° | 54.1° |
| O6 | C21 | C22 | C20 | 123.9° | 120.0° |
| O6 | C21 | C22 | H25 | 117.3° | 120.0° |
| O6 | C21 | C20 | H25 | 119.9° | 120.0° |
| O6 | C21 | C20 | N2 | 3.0° | 6.4° |
| O6 | C21 | C22 | C24 | 58.8° | 65.9° |
| O6 | C21 | C22 | C23 | 179.6° | 174.1° |
| O6 | C21 | C20 | O5 | 177.2° | 173.6° |
| O7 | C25 | C22 | H33 | 120.1° | 120.0° |
| O7 | C25 | C22 | H34 | 120.1° | 120.0° |
| O7 | C25 | C22 | C21 | 65.3° | 180.0° |
| O7 | C25 | C22 | C24 | 174.0° | 60.0° |
| O7 | C25 | C22 | C23 | 57.6° | 60.0° |
| O7 | C25 | H33 | H34 | 119.9° | 119.9° |
| C25 | C22 | C21 | C24 | 115.8° | 120.0° |
| C25 | C22 | C21 | C23 | 123.4° | 120.0° |
| C25 | C22 | C21 | C20 | 179.1° | 174.1° |
| C25 | C22 | C24 | C23 | 118.0° | 120.0° |
| C25 | C22 | C21 | H25 | 60.3° | 65.9° |
| C25 | C22 | C23 | H27 | 180.0° | 171.7° |
| C25 | C22 | C23 | H28 | 60.0° | 51.7° |
| C25 | C22 | C23 | H29 | 60.0° | 68.4° |
| C25 | C22 | C24 | H30 | 180.0° | 60.0° |
| C25 | C22 | C24 | H31 | 60.0° | 60.0° |
| C25 | C22 | C24 | H32 | 60.0° | 180.0° |
| C22 | C25 | H33 | H34 | 119.9° | 120.0° |
| C22 | C21 | C20 | H25 | 118.6° | 120.0° |
| C22 | C21 | C20 | N2 | 118.4° | 113.6° |
| C21 | C22 | C24 | C23 | 121.6° | 120.0° |
| C22 | C21 | C20 | O5 | 61.3° | 66.4° |
| C22 | C21 | O6 | H26 | 120.9° | 60.0° |
| C21 | C22 | C23 | H27 | 56.2° | 68.3° |
| C21 | C22 | C23 | H28 | 176.2° | 171.6° |
| C21 | C22 | C23 | H29 | 63.8° | 51.6° |
| C21 | C22 | C24 | H30 | 59.6° | 60.0° |
| C21 | C22 | C24 | H31 | 60.4° | 180.0° |
| C21 | C22 | C24 | H32 | 179.6° | 60.1° |
| C21 | C22 | C25 | H33 | 54.8° | 60.0° |
| C21 | C22 | C25 | H34 | 174.6° | 60.0° |
| C21 | C20 | N2 | O5 | 179.8° | 180.0° |
| C21 | C20 | N2 | C19 | 178.7° | 175.1° |
| C20 | C21 | C22 | C24 | 65.2° | 54.1° |
| C20 | C21 | C22 | C23 | 55.7° | 65.9° |
| C21 | C20 | N2 | H12 | 1.3° | 5.0° |
| C20 | C21 | O6 | H26 | 114.4° | 60.0° |
| C20 | N2 | C19 | H12 | 180.0° | 179.9° |
| C20 | N2 | C19 | C18 | 69.2° | 180.0° |
| C20 | N2 | C19 | H23 | 51.4° | 60.0° |
| C20 | N2 | C19 | H24 | 170.2° | 60.0° |
| N2 | C20 | C21 | H25 | 122.9° | 126.4° |
| C19 | N2 | C20 | O5 | 1.6° | 5.0° |
| N2 | C19 | C18 | H23 | 120.6° | 120.0° |
| N2 | C19 | C18 | H24 | 120.6° | 120.1° |
| N2 | C19 | C18 | C17 | 36.2° | 180.0° |
| N2 | C19 | C18 | H21 | 84.3° | 60.0° |
| N2 | C19 | C18 | H22 | 156.8° | 60.0° |
| N2 | C19 | H23 | H24 | 118.2° | 120.1° |
| C1 | O1 | C2 | C38 | 58.6° | 180.0° |
| C1 | O1 | C2 | C3 | 123.5° | 0.9° |
| O1 | C1 | H14 | H15 | 120.0° | 120.0° |
| O1 | C1 | H14 | H16 | 120.0° | 120.0° |
| O1 | C1 | H15 | H16 | 120.0° | 120.0° |
| C24 | C22 | C21 | H25 | 176.0° | 174.2° |
| C24 | C22 | C23 | H27 | 66.6° | 51.7° |
| C24 | C22 | C23 | H28 | 53.4° | 68.3° |
| C24 | C22 | C23 | H29 | 173.4° | 171.7° |
| C22 | C24 | H30 | H31 | 120.0° | 120.0° |
| C22 | C24 | H30 | H32 | 120.0° | 120.0° |
| C22 | C24 | H31 | H32 | 120.0° | 119.9° |
| C24 | C22 | C25 | H33 | 65.9° | 60.0° |
| C24 | C22 | C25 | H34 | 54.0° | 180.0° |
| C23 | C22 | C21 | H25 | 63.1° | 54.1° |
| C22 | C23 | H27 | H28 | 120.0° | 120.0° |
| C22 | C23 | H27 | H29 | 120.0° | 119.9° |
| C22 | C23 | H28 | H29 | 120.0° | 120.0° |
| C23 | C22 | C24 | H30 | 62.0° | 180.0° |
| C23 | C22 | C24 | H31 | 177.9° | 60.0° |
| C23 | C22 | C24 | H32 | 58.0° | 60.0° |
| C23 | C22 | C25 | H33 | 177.7° | 180.0° |
| C23 | C22 | C25 | H34 | 62.4° | 60.0° |
| O5 | C20 | N2 | H12 | 178.4° | 175.0° |
| O5 | C20 | C21 | H25 | 57.3° | 53.6° |
| C19 | C18 | C17 | O4 | 40.5° | 0.0° |
| C19 | C18 | C17 | H21 | 120.6° | 120.1° |
| C19 | C18 | C17 | H22 | 120.6° | 120.0° |
| C19 | C18 | C17 | N1 | 140.8° | 180.0° |
| C18 | C19 | N2 | H12 | 110.8° | 0.1° |
| C19 | C18 | H21 | H22 | 118.2° | 119.9° |
| C18 | C19 | H23 | H24 | 118.1° | 119.9° |
| O1 | C2 | C38 | C3 | 177.9° | 179.2° |
| O1 | C2 | C38 | C6 | 179.4° | 180.0° |
| O1 | C2 | C3 | C4 | 179.6° | 179.7° |
| O1 | C2 | C3 | H13 | 0.4° | 0.3° |
| C2 | O1 | C1 | H14 | 180.0° | 60.0° |
| C2 | O1 | C1 | H15 | 60.0° | 60.0° |
| C2 | O1 | C1 | H16 | 60.0° | 180.0° |
| O1 | C2 | C38 | H52 | 0.6° | 0.1° |
| O4 | C17 | C18 | N1 | 178.6° | 179.9° |
| O4 | C17 | N1 | C16 | 1.9° | 0.1° |
| O4 | C17 | N1 | H11 | 178.1° | 180.0° |
| O4 | C17 | C18 | H21 | 161.1° | 120.0° |
| O4 | C17 | C18 | H22 | 80.0° | 120.0° |
| C18 | C17 | N1 | C16 | 176.8° | 180.0° |
| C18 | C17 | N1 | H11 | 3.2° | 0.1° |
| C17 | C18 | H21 | H22 | 118.3° | 120.0° |
| C17 | C18 | C19 | H23 | 156.8° | 60.0° |
| C17 | C18 | C19 | H24 | 84.4° | 59.9° |
| C2 | C38 | C6 | H52 | 180.0° | 179.9° |
| C38 | C2 | C3 | C4 | 1.7° | 0.6° |
| C2 | C38 | C6 | C7 | 178.8° | 179.5° |
| C2 | C38 | C6 | C5 | 0.4° | 0.5° |
| C38 | C2 | C3 | H13 | 178.3° | 179.5° |
| C3 | C2 | C38 | C6 | 1.5° | 0.8° |
| C2 | C3 | C4 | H13 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C2 | C3 | C4 | H1 | 179.2° | 179.8° |
| C3 | C2 | C38 | H52 | 178.5° | 179.1° |
| C38 | C6 | C7 | C5 | 179.1° | 180.0° |
| C38 | C6 | C7 | O2 | 59.5° | 90.0° |
| C38 | C6 | C5 | C4 | 0.5° | 0.0° |
| C38 | C6 | C5 | H2 | 179.5° | 180.0° |
| C38 | C6 | C7 | H3 | 179.8° | 30.0° |
| C38 | C6 | C7 | H4 | 60.7° | 150.0° |
| C17 | N1 | C16 | H11 | 180.0° | 179.9° |
| C17 | N1 | C16 | C15 | 62.6° | 179.9° |
| C17 | N1 | C16 | H19 | 58.0° | 60.1° |
| C17 | N1 | C16 | H20 | 176.9° | 59.9° |
| N1 | C17 | C18 | H21 | 20.3° | 59.9° |
| N1 | C17 | C18 | H22 | 98.6° | 60.1° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | H2 | 179.7° | 179.8° |
| C6 | C7 | O2 | H3 | 120.3° | 119.9° |
| C6 | C7 | O2 | H4 | 120.2° | 120.0° |
| C7 | C6 | C5 | C4 | 179.7° | 180.0° |
| C6 | C7 | O2 | C8 | 164.6° | 180.0° |
| C7 | C6 | C5 | H2 | 0.3° | 0.0° |
| C6 | C7 | H3 | H4 | 119.2° | 120.0° |
| C7 | C6 | C38 | H52 | 1.2° | 0.6° |
| C5 | C6 | C7 | O2 | 121.3° | 90.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.7° | 179.9° |
| C5 | C6 | C7 | H3 | 1.0° | 150.0° |
| C5 | C6 | C7 | H4 | 118.4° | 30.0° |
| C5 | C6 | C38 | H52 | 179.6° | 179.4° |
| C7 | O2 | C8 | C9 | 15.7° | 0.5° |
| C7 | O2 | C8 | C37 | 164.5° | 180.0° |
| O2 | C7 | H3 | H4 | 119.3° | 120.1° |
| N1 | C16 | C15 | H19 | 120.6° | 120.0° |
| N1 | C16 | C15 | H20 | 120.6° | 120.0° |
| N1 | C16 | C15 | S2 | 177.4° | 180.0° |
| N1 | C16 | C15 | H17 | 61.7° | 60.0° |
| N1 | C16 | C15 | H18 | 56.5° | 60.0° |
| N1 | C16 | H19 | H20 | 118.2° | 120.0° |
| C5 | C4 | C3 | H13 | 179.2° | 180.0° |
| O2 | C8 | C9 | C37 | 179.8° | 179.5° |
| O2 | C8 | C9 | C10 | 179.7° | 179.7° |
| O2 | C8 | C37 | C36 | 179.6° | 179.9° |
| C8 | O2 | C7 | H3 | 44.3° | 60.0° |
| C8 | O2 | C7 | H4 | 75.2° | 60.0° |
| O2 | C8 | C9 | H5 | 0.2° | 0.5° |
| O2 | C8 | C37 | H51 | 0.4° | 0.5° |
| C16 | C15 | S2 | H17 | 120.9° | 119.9° |
| C16 | C15 | S2 | H18 | 120.9° | 120.0° |
| C16 | C15 | S2 | C14 | 84.3° | 180.0° |
| C15 | C16 | N1 | H11 | 117.5° | 0.0° |
| C16 | C15 | H17 | H18 | 117.2° | 120.0° |
| C15 | C16 | H19 | H20 | 118.2° | 120.0° |
| C8 | C9 | C10 | H5 | 180.0° | 179.2° |
| C8 | C9 | C10 | C11 | 0.2° | 0.5° |
| C9 | C8 | C37 | C36 | 0.2° | 0.6° |
| C8 | C9 | C10 | H6 | 179.8° | 179.5° |
| C9 | C8 | C37 | H51 | 179.8° | 180.0° |
| C10 | C9 | C8 | C37 | 0.0° | 0.8° |
| C9 | C10 | C11 | H6 | 180.0° | 179.9° |
| C9 | C10 | C11 | C36 | 0.2° | 0.1° |
| C9 | C10 | C11 | S1 | 179.8° | 179.7° |
| C15 | S2 | C14 | C12 | 166.6° | 180.0° |
| C15 | S2 | C14 | O3 | 9.7° | 0.1° |
| S2 | C15 | H17 | H18 | 117.2° | 120.1° |
| S2 | C15 | C16 | H19 | 56.9° | 59.9° |
| S2 | C15 | C16 | H20 | 62.0° | 60.0° |
| C8 | C37 | C36 | H51 | 180.0° | 179.4° |
| C8 | C37 | C36 | C11 | 0.2° | 0.1° |
| C37 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C37 | C36 | H50 | 179.8° | 180.0° |
| S2 | C14 | C12 | S1 | 36.4° | 155.0° |
| S2 | C14 | C12 | O3 | 176.3° | 179.9° |
| S2 | C14 | C12 | C13 | 165.5° | 85.1° |
| S2 | C14 | C12 | H7 | 78.1° | 35.0° |
| C14 | S2 | C15 | H17 | 36.6° | 60.1° |
| C14 | S2 | C15 | H18 | 154.8° | 60.0° |
| C10 | C11 | C36 | C37 | 0.0° | 0.2° |
| C10 | C11 | C36 | S1 | 179.6° | 179.8° |
| C10 | C11 | S1 | C12 | 50.6° | 92.3° |
| C11 | C10 | C9 | H5 | 179.8° | 179.7° |
| C10 | C11 | C36 | H50 | 180.0° | 179.8° |
| C37 | C36 | C11 | H50 | 180.0° | 179.9° |
| C37 | C36 | C11 | S1 | 179.6° | 179.9° |
| C36 | C11 | S1 | C12 | 129.0° | 87.9° |
| C36 | C11 | C10 | H6 | 179.8° | 180.0° |
| C11 | C36 | C37 | H51 | 179.8° | 179.5° |
| C11 | S1 | C12 | C14 | 127.6° | 171.6° |
| C11 | S1 | C12 | C13 | 106.2° | 68.4° |
| S1 | C11 | C10 | H6 | 0.2° | 0.2° |
| C11 | S1 | C12 | H7 | 11.3° | 51.6° |
| S1 | C11 | C36 | H50 | 0.4° | 0.0° |
| S1 | C12 | C14 | C13 | 129.2° | 120.0° |
| S1 | C12 | C14 | H7 | 114.5° | 120.0° |
| S1 | C12 | C14 | O3 | 147.4° | 25.0° |
| S1 | C12 | C13 | H7 | 115.6° | 120.0° |
| S1 | C12 | C13 | H8 | 180.0° | 54.3° |
| S1 | C12 | C13 | H9 | 60.0° | 65.8° |
| S1 | C12 | C13 | H10 | 60.0° | 174.3° |
| C14 | C12 | C13 | H7 | 116.3° | 120.1° |
| C14 | C12 | C13 | H8 | 51.9° | 65.7° |
| C14 | C12 | C13 | H9 | 68.1° | 174.3° |
| C14 | C12 | C13 | H10 | 171.9° | 54.3° |
| O3 | C14 | C12 | C13 | 18.2° | 95.0° |
| O3 | C14 | C12 | H7 | 98.2° | 144.9° |
| C12 | C13 | H8 | H9 | 120.0° | 120.0° |
| C12 | C13 | H8 | H10 | 120.0° | 120.0° |
| C12 | C13 | H9 | H10 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 0.3° | 0.0° |
| H1 | C4 | C3 | H13 | 0.8° | 0.2° |
| H5 | C9 | C10 | H6 | 0.2° | 0.3° |
| H7 | C12 | C13 | H8 | 64.4° | 174.2° |
| H7 | C12 | C13 | H9 | 175.6° | 54.2° |
| H7 | C12 | C13 | H10 | 55.6° | 65.7° |
| H8 | C13 | H9 | H10 | 120.0° | 120.0° |
| H11 | N1 | C16 | H19 | 122.0° | 120.0° |
| H11 | N1 | C16 | H20 | 3.1° | 120.0° |
| H12 | N2 | C19 | H23 | 128.6° | 120.0° |
| H12 | N2 | C19 | H24 | 9.8° | 119.9° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H17 | C15 | C16 | H19 | 177.8° | 60.0° |
| H17 | C15 | C16 | H20 | 58.9° | 180.0° |
| H18 | C15 | C16 | H19 | 64.0° | 180.0° |
| H18 | C15 | C16 | H20 | 177.1° | 60.0° |
| H21 | C18 | C19 | H23 | 36.3° | 60.1° |
| H21 | C18 | C19 | H24 | 155.1° | 180.0° |
| H22 | C18 | C19 | H23 | 82.6° | 180.0° |
| H22 | C18 | C19 | H24 | 36.2° | 60.1° |
| H25 | C21 | O6 | H26 | 4.7° | 180.0° |
| H27 | C23 | H28 | H29 | 120.0° | 120.0° |
| H30 | C24 | H31 | H32 | 120.0° | 120.0° |
| H37 | C26 | C27 | H39 | 166.2° | 174.3° |
| H38 | C26 | C27 | H39 | 46.2° | 65.7° |
| H39 | C27 | C35 | H47 | 107.1° | 123.8° |
| H40 | C28 | C34 | H45 | 168.8° | 160.1° |
| H45 | C34 | O15 | H46 | 60.0° | 62.2° |
| H45 | C34 | C35 | H47 | 37.3° | 21.3° |
| H50 | C36 | C37 | H51 | 0.2° | 0.6° |
