A1JJY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C35 | sing | 1.32Å | 1.34Å | Aromatic |
| N6 | C34 | doub | 1.33Å | 1.36Å | Aromatic |
| C35 | N7 | doub | 1.32Å | 1.33Å | Aromatic |
| N5 | C34 | sing | 1.38Å | 1.33Å | |
| C34 | C33 | sing | 1.41Å | 1.40Å | Aromatic |
| N7 | C36 | sing | 1.33Å | 1.34Å | Aromatic |
| C33 | C36 | doub | 1.41Å | 1.38Å | Aromatic |
| C33 | N4 | sing | 1.35Å | 1.38Å | Aromatic |
| C36 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| O14 | C37 | sing | 1.43Å | 1.40Å | |
| O17 | P3 | doub | 1.48Å | 1.52Å | |
| N4 | C32 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C32 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C31 | sing | 1.47Å | 1.46Å | |
| C31 | C37 | sing | 1.55Å | 1.52Å | |
| C31 | O13 | sing | 1.44Å | 1.43Å | |
| C37 | C38 | sing | 1.55Å | 1.54Å | |
| P3 | O15 | sing | 1.61Å | 1.62Å | |
| P3 | O16 | sing | 1.61Å | 1.52Å | |
| P3 | O18 | sing | 1.61Å | 1.50Å | |
| O15 | C38 | sing | 1.43Å | 1.43Å | |
| C38 | C30 | sing | 1.54Å | 1.54Å | |
| O13 | C30 | sing | 1.44Å | 1.44Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C29 | O12 | sing | 1.43Å | 1.44Å | |
| O12 | P2 | sing | 1.61Å | 1.60Å | |
| P2 | O10 | doub | 1.48Å | 1.49Å | |
| P2 | O9 | sing | 1.61Å | 1.61Å | |
| P2 | O11 | sing | 1.61Å | 1.49Å | |
| O9 | P1 | sing | 1.61Å | 1.59Å | |
| O7 | P1 | doub | 1.48Å | 1.48Å | |
| P1 | O8 | sing | 1.61Å | 1.49Å | |
| P1 | O6 | sing | 1.61Å | 1.60Å | |
| O5 | C24 | sing | 1.43Å | 1.43Å | |
| O6 | C28 | sing | 1.43Å | 1.45Å | |
| C28 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| N2 | C23 | sing | 1.35Å | 1.34Å | |
| N2 | C22 | sing | 1.46Å | 1.46Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | O4 | doub | 1.21Å | 1.25Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| O3 | C20 | doub | 1.21Å | 1.25Å | |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | N1 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C6 | sing | 1.36Å | 1.38Å | |
| O1 | C7 | sing | 1.43Å | 1.44Å | |
| N1 | C19 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C6 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | S2 | sing | 1.81Å | 1.83Å | |
| S2 | C17 | sing | 1.71Å | 1.77Å | |
| C3 | S1 | sing | 1.76Å | 1.79Å | |
| C3 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| S1 | C2 | sing | 1.81Å | 1.84Å | |
| C17 | C2 | sing | 1.51Å | 1.52Å | |
| C17 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| O5 | H29 | sing | 0.97Å | 0.95Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| O8 | H38 | sing | 0.97Å | 0.95Å | |
| O11 | H39 | sing | 0.97Å | 0.95Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.08Å | 1.08Å | |
| N5 | H45 | sing | 0.97Å | 1.00Å | |
| N5 | H46 | sing | 0.97Å | 1.00Å | |
| C35 | H47 | sing | 1.08Å | 1.08Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| O14 | H49 | sing | 0.97Å | 0.95Å | |
| C38 | H50 | sing | 1.09Å | 1.10Å | |
| O16 | H51 | sing | 0.97Å | 0.95Å | |
| O18 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | N6 | C34 | 118.8° | 121.2° |
| N6 | C35 | N7 | 129.2° | 122.4° |
| N6 | C35 | H47 | 115.4° | 118.8° |
| N6 | C34 | N5 | 119.5° | 120.8° |
| N6 | C34 | C33 | 117.0° | 118.4° |
| C35 | N7 | C36 | 110.6° | 120.7° |
| N7 | C35 | H47 | 115.4° | 118.8° |
| N5 | C34 | C33 | 123.3° | 120.7° |
| C34 | N5 | H45 | 109.5° | 120.0° |
| C34 | N5 | H46 | 109.5° | 120.0° |
| C34 | C33 | C36 | 117.4° | 118.1° |
| C34 | C33 | N4 | 131.7° | 134.7° |
| N7 | C36 | C33 | 126.8° | 119.1° |
| N7 | C36 | N3 | 127.9° | 135.0° |
| C36 | C33 | N4 | 110.9° | 107.2° |
| C33 | C36 | N3 | 105.4° | 105.9° |
| C33 | N4 | C32 | 104.0° | 109.4° |
| C36 | N3 | C32 | 106.3° | 107.5° |
| C36 | N3 | C31 | 126.4° | 126.3° |
| O14 | C37 | C31 | 104.4° | 110.9° |
| O14 | C37 | C38 | 117.1° | 110.8° |
| O14 | C37 | H48 | 112.7° | 110.8° |
| C37 | O14 | H49 | 109.5° | 114.0° |
| O17 | P3 | O15 | 103.1° | 109.5° |
| O17 | P3 | O16 | 114.9° | 109.5° |
| O17 | P3 | O18 | 108.7° | 109.4° |
| N4 | C32 | N3 | 113.5° | 110.0° |
| N4 | C32 | H44 | 123.3° | 125.0° |
| C32 | N3 | C31 | 126.6° | 126.3° |
| N3 | C32 | H44 | 123.3° | 125.0° |
| N3 | C31 | C37 | 118.9° | 110.6° |
| N3 | C31 | O13 | 106.7° | 110.6° |
| N3 | C31 | H43 | 108.8° | 110.5° |
| C37 | C31 | O13 | 104.9° | 103.5° |
| C31 | C37 | C38 | 100.2° | 102.1° |
| C37 | C31 | H43 | 108.0° | 110.6° |
| C31 | C37 | H48 | 110.9° | 110.9° |
| C31 | O13 | C30 | 108.6° | 107.0° |
| O13 | C31 | H43 | 109.2° | 110.9° |
| C37 | C38 | O15 | 114.0° | 110.5° |
| C37 | C38 | C30 | 103.3° | 104.0° |
| C38 | C37 | H48 | 110.6° | 111.0° |
| C37 | C38 | H50 | 109.8° | 110.5° |
| O15 | P3 | O16 | 107.0° | 109.5° |
| O15 | P3 | O18 | 111.3° | 109.5° |
| P3 | O15 | C38 | 126.4° | 123.0° |
| O16 | P3 | O18 | 111.6° | 109.5° |
| P3 | O16 | H51 | 109.5° | 114.0° |
| P3 | O18 | H52 | 109.5° | 114.0° |
| O15 | C38 | C30 | 108.1° | 110.6° |
| O15 | C38 | H50 | 111.5° | 110.6° |
| C38 | C30 | O13 | 106.1° | 107.4° |
| C38 | C30 | C29 | 117.2° | 109.9° |
| C38 | C30 | H42 | 107.8° | 109.8° |
| C30 | C38 | H50 | 109.8° | 110.4° |
| O13 | C30 | C29 | 108.1° | 109.9° |
| O13 | C30 | H42 | 109.1° | 109.9° |
| C30 | C29 | O12 | 108.9° | 109.4° |
| C30 | C29 | H40 | 109.6° | 109.5° |
| C30 | C29 | H41 | 109.6° | 109.5° |
| C29 | C30 | H42 | 108.3° | 109.9° |
| C29 | O12 | P2 | 118.4° | 122.9° |
| O12 | C29 | H40 | 109.6° | 109.5° |
| O12 | C29 | H41 | 109.6° | 109.5° |
| O12 | P2 | O10 | 112.0° | 109.5° |
| O12 | P2 | O9 | 96.0° | 109.4° |
| O12 | P2 | O11 | 108.9° | 109.5° |
| O10 | P2 | O9 | 120.9° | 109.5° |
| O10 | P2 | O11 | 111.5° | 109.5° |
| O9 | P2 | O11 | 106.1° | 109.5° |
| P2 | O9 | P1 | 125.6° | 134.0° |
| P2 | O11 | H39 | 109.5° | 114.0° |
| O9 | P1 | O7 | 104.8° | 109.5° |
| O9 | P1 | O8 | 106.4° | 109.5° |
| O9 | P1 | O6 | 107.6° | 109.5° |
| O7 | P1 | O8 | 133.0° | 109.4° |
| O7 | P1 | O6 | 106.7° | 109.5° |
| O8 | P1 | O6 | 96.4° | 109.4° |
| P1 | O8 | H38 | 109.5° | 114.0° |
| P1 | O6 | C28 | 122.6° | 123.0° |
| O5 | C24 | C25 | 107.6° | 109.5° |
| O5 | C24 | C23 | 111.5° | 109.4° |
| O5 | C24 | H28 | 109.2° | 109.5° |
| C24 | O5 | H29 | 109.5° | 114.0° |
| O6 | C28 | C25 | 107.5° | 109.5° |
| O6 | C28 | H36 | 110.0° | 109.5° |
| O6 | C28 | H37 | 109.9° | 109.5° |
| C28 | C25 | C24 | 109.6° | 109.4° |
| C28 | C25 | C27 | 104.1° | 109.4° |
| C28 | C25 | C26 | 110.7° | 109.5° |
| C25 | C28 | H36 | 109.9° | 109.5° |
| C25 | C28 | H37 | 110.0° | 109.4° |
| C25 | C24 | C23 | 112.8° | 109.5° |
| C24 | C25 | C27 | 112.1° | 109.4° |
| C24 | C25 | C26 | 110.5° | 109.5° |
| C25 | C24 | H28 | 107.6° | 109.5° |
| C24 | C23 | N2 | 115.0° | 120.0° |
| C24 | C23 | O4 | 120.9° | 119.9° |
| C23 | C24 | H28 | 108.0° | 109.5° |
| C23 | N2 | C22 | 123.2° | 120.0° |
| N2 | C23 | O4 | 124.0° | 120.0° |
| C23 | N2 | H13 | 118.4° | 120.0° |
| N2 | C22 | C21 | 112.8° | 109.5° |
| C22 | N2 | H13 | 118.4° | 120.0° |
| N2 | C22 | H26 | 108.6° | 109.5° |
| N2 | C22 | H27 | 108.7° | 109.5° |
| C27 | C25 | C26 | 109.7° | 109.5° |
| C25 | C27 | H33 | 109.5° | 109.5° |
| C25 | C27 | H34 | 109.5° | 109.4° |
| C25 | C27 | H35 | 109.5° | 109.4° |
| C25 | C26 | H30 | 109.5° | 109.5° |
| C25 | C26 | H31 | 109.5° | 109.4° |
| C25 | C26 | H32 | 109.5° | 109.5° |
| C22 | C21 | C20 | 112.5° | 109.5° |
| C22 | C21 | H24 | 108.7° | 109.5° |
| C22 | C21 | H25 | 108.7° | 109.4° |
| C21 | C22 | H26 | 108.6° | 109.5° |
| C21 | C22 | H27 | 108.6° | 109.5° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C12 | C11 | H4 | 120.0° | 120.0° |
| C11 | C12 | H10 | 120.0° | 120.0° |
| C11 | C10 | C9 | 120.7° | 120.0° |
| C10 | C11 | H4 | 119.9° | 120.0° |
| C11 | C10 | H9 | 119.6° | 120.0° |
| O3 | C20 | C21 | 122.2° | 120.0° |
| O3 | C20 | N1 | 122.3° | 120.0° |
| C12 | C13 | C14 | 120.1° | 120.0° |
| C13 | C12 | H10 | 120.0° | 120.0° |
| C12 | C13 | H11 | 119.9° | 120.0° |
| C10 | C9 | C14 | 118.3° | 120.0° |
| C10 | C9 | C8 | 121.0° | 120.0° |
| C9 | C10 | H9 | 119.6° | 120.0° |
| C21 | C20 | N1 | 115.5° | 120.0° |
| C20 | C21 | H24 | 108.7° | 109.5° |
| C20 | C21 | H25 | 108.7° | 109.5° |
| C20 | N1 | C19 | 122.6° | 120.0° |
| C20 | N1 | H12 | 118.7° | 120.0° |
| C13 | C14 | C9 | 120.8° | 120.0° |
| C13 | C14 | H2 | 119.6° | 120.0° |
| C14 | C13 | H11 | 120.0° | 120.0° |
| C14 | C9 | C8 | 120.7° | 120.0° |
| C9 | C14 | H2 | 119.6° | 120.0° |
| C9 | C8 | C7 | 114.6° | 109.5° |
| C9 | C8 | H7 | 108.2° | 109.5° |
| C9 | C8 | H8 | 108.2° | 109.5° |
| C8 | C7 | O1 | 108.7° | 109.5° |
| C8 | C7 | H5 | 109.7° | 109.4° |
| C8 | C7 | H6 | 109.7° | 109.5° |
| C7 | C8 | H7 | 108.1° | 109.5° |
| C7 | C8 | H8 | 108.2° | 109.4° |
| C4 | C5 | C6 | 120.5° | 120.0° |
| C5 | C4 | C3 | 120.8° | 120.0° |
| C5 | C4 | H1 | 119.6° | 120.0° |
| C4 | C5 | H3 | 119.8° | 120.0° |
| C5 | C6 | O1 | 118.4° | 120.0° |
| C5 | C6 | C15 | 119.1° | 120.1° |
| C6 | C5 | H3 | 119.7° | 120.0° |
| C6 | O1 | C7 | 119.5° | 117.0° |
| O1 | C6 | C15 | 122.5° | 120.0° |
| O1 | C7 | H5 | 109.6° | 109.5° |
| O1 | C7 | H6 | 109.7° | 109.5° |
| N1 | C19 | C18 | 113.0° | 109.5° |
| C19 | N1 | H12 | 118.7° | 120.0° |
| N1 | C19 | H22 | 108.6° | 109.5° |
| N1 | C19 | H23 | 108.6° | 109.5° |
| C4 | C3 | S1 | 122.3° | 120.0° |
| C4 | C3 | C16 | 117.9° | 119.9° |
| C3 | C4 | H1 | 119.6° | 120.0° |
| C19 | C18 | S2 | 115.8° | 109.5° |
| C19 | C18 | H20 | 107.9° | 109.5° |
| C19 | C18 | H21 | 107.9° | 109.4° |
| C18 | C19 | H22 | 108.6° | 109.5° |
| C18 | C19 | H23 | 108.6° | 109.5° |
| C6 | C15 | C16 | 120.3° | 120.0° |
| C6 | C15 | H18 | 119.8° | 120.0° |
| C18 | S2 | C17 | 100.7° | 100.0° |
| S2 | C18 | H20 | 107.9° | 109.5° |
| S2 | C18 | H21 | 107.9° | 109.4° |
| S2 | C17 | C2 | 113.3° | 120.0° |
| S2 | C17 | O2 | 123.0° | 120.0° |
| S1 | C3 | C16 | 119.8° | 120.0° |
| C3 | S1 | C2 | 111.7° | 103.0° |
| C3 | C16 | C15 | 121.3° | 120.0° |
| C3 | C16 | H19 | 119.3° | 120.0° |
| C16 | C15 | H18 | 119.9° | 120.0° |
| C15 | C16 | H19 | 119.4° | 120.1° |
| S1 | C2 | C17 | 113.5° | 109.4° |
| S1 | C2 | C1 | 113.5° | 109.5° |
| S1 | C2 | H17 | 104.5° | 109.4° |
| C2 | C17 | O2 | 123.6° | 120.0° |
| C17 | C2 | C1 | 109.3° | 109.5° |
| C17 | C2 | H17 | 107.7° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.4° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C1 | C2 | H17 | 107.9° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.6° |
| H22 | C19 | H23 | 109.5° | 109.4° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.4° |
| H30 | C26 | H31 | 109.5° | 109.4° |
| H30 | C26 | H32 | 109.5° | 109.5° |
| H31 | C26 | H32 | 109.4° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.5° |
| H33 | C27 | H35 | 109.5° | 109.5° |
| H34 | C27 | H35 | 109.4° | 109.4° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H40 | C29 | H41 | 109.5° | 109.5° |
| H45 | N5 | H46 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C35 | N7 | H47 | 180.0° | 179.9° |
| C35 | N6 | C34 | N5 | 178.7° | 180.0° |
| C35 | N6 | C34 | C33 | 2.9° | 0.1° |
| N6 | C35 | N7 | C36 | 0.1° | 0.0° |
| C34 | N6 | C35 | N7 | 2.1° | 0.1° |
| N6 | C34 | N5 | C33 | 175.5° | 179.9° |
| N6 | C34 | C33 | C36 | 2.1° | 0.0° |
| N6 | C34 | C33 | N4 | 177.5° | 179.4° |
| N6 | C34 | N5 | H45 | 0.0° | 179.9° |
| N6 | C34 | N5 | H46 | 120.0° | 0.0° |
| C34 | N6 | C35 | H47 | 177.9° | 180.0° |
| C35 | N7 | C36 | C33 | 0.8° | 0.1° |
| C35 | N7 | C36 | N3 | 179.6° | 180.0° |
| N5 | C34 | C33 | C36 | 177.8° | 180.0° |
| N5 | C34 | C33 | N4 | 1.9° | 0.5° |
| C34 | N5 | H45 | H46 | 120.0° | 179.9° |
| C34 | C33 | C36 | N7 | 0.3° | 0.0° |
| C34 | C33 | C36 | N4 | 179.7° | 179.6° |
| C34 | C33 | C36 | N3 | 179.4° | 180.0° |
| C34 | C33 | N4 | C32 | 178.9° | 179.8° |
| C33 | C34 | N5 | H45 | 175.5° | 0.0° |
| C33 | C34 | N5 | H46 | 55.5° | 180.0° |
| N7 | C36 | C33 | N3 | 179.7° | 180.0° |
| N7 | C36 | C33 | N4 | 179.5° | 179.6° |
| N7 | C36 | N3 | C32 | 178.2° | 179.6° |
| N7 | C36 | N3 | C31 | 7.5° | 0.1° |
| C36 | N7 | C35 | H47 | 179.9° | 179.9° |
| C36 | C33 | N4 | C32 | 0.8° | 0.3° |
| C33 | C36 | N3 | C32 | 2.1° | 0.4° |
| C33 | C36 | N3 | C31 | 172.8° | 179.8° |
| N4 | C33 | C36 | N3 | 0.8° | 0.4° |
| C33 | N4 | C32 | N3 | 2.2° | 0.0° |
| C33 | N4 | C32 | H44 | 177.8° | 179.9° |
| C36 | N3 | C32 | N4 | 2.8° | 0.3° |
| C36 | N3 | C32 | C31 | 170.7° | 179.7° |
| C36 | N3 | C31 | C37 | 112.3° | 84.7° |
| C36 | N3 | C31 | O13 | 129.5° | 161.2° |
| C36 | N3 | C31 | H43 | 11.8° | 38.1° |
| C36 | N3 | C32 | H44 | 177.2° | 179.8° |
| O14 | C37 | C31 | N3 | 78.1° | 86.3° |
| O14 | C37 | C31 | C38 | 121.6° | 118.1° |
| O14 | C37 | C31 | H48 | 121.6° | 123.6° |
| O14 | C37 | C31 | O13 | 162.8° | 155.2° |
| O14 | C37 | C38 | H48 | 130.9° | 123.6° |
| O14 | C37 | C38 | O15 | 29.3° | 20.4° |
| O14 | C37 | C38 | C30 | 146.3° | 139.1° |
| O14 | C37 | C31 | H43 | 46.4° | 36.4° |
| O14 | C37 | C38 | H50 | 96.6° | 102.4° |
| O17 | P3 | O15 | O16 | 121.5° | 120.1° |
| O17 | P3 | O15 | O18 | 116.4° | 120.0° |
| O17 | P3 | O16 | O18 | 124.3° | 120.0° |
| O17 | P3 | O15 | C38 | 103.3° | 54.9° |
| O17 | P3 | O16 | H51 | 0.0° | 59.9° |
| O17 | P3 | O18 | H52 | 0.0° | 180.0° |
| N4 | C32 | N3 | H44 | 180.0° | 179.9° |
| N4 | C32 | N3 | C31 | 173.6° | 180.0° |
| C32 | N3 | C31 | C37 | 78.8° | 95.0° |
| C32 | N3 | C31 | O13 | 39.4° | 19.1° |
| C32 | N3 | C31 | H43 | 157.1° | 142.2° |
| N3 | C31 | C37 | O13 | 119.2° | 118.5° |
| N3 | C31 | C37 | H43 | 124.5° | 122.7° |
| N3 | C31 | O13 | H43 | 117.4° | 122.9° |
| N3 | C31 | C37 | C38 | 160.3° | 155.6° |
| N3 | C31 | O13 | C30 | 159.5° | 158.5° |
| C31 | N3 | C32 | H44 | 6.4° | 0.1° |
| N3 | C31 | C37 | H48 | 43.5° | 37.3° |
| C37 | C31 | O13 | H43 | 115.5° | 118.7° |
| C31 | C37 | C38 | H48 | 117.0° | 118.2° |
| C31 | C37 | C38 | O15 | 82.7° | 97.8° |
| C31 | C37 | C38 | C30 | 34.3° | 21.0° |
| C37 | C31 | O13 | C30 | 32.4° | 40.1° |
| C31 | C37 | O14 | H49 | 180.0° | 61.5° |
| C31 | C37 | C38 | H50 | 151.4° | 139.5° |
| O13 | C31 | C37 | C38 | 41.2° | 37.1° |
| C31 | O13 | C30 | C38 | 9.4° | 26.4° |
| C31 | O13 | C30 | C29 | 135.9° | 145.9° |
| C31 | O13 | C30 | H42 | 106.6° | 93.0° |
| O13 | C31 | C37 | H48 | 75.6° | 81.2° |
| C37 | C38 | O15 | P3 | 108.9° | 121.4° |
| C37 | C38 | O15 | C30 | 114.2° | 114.7° |
| C37 | C38 | O15 | H50 | 125.1° | 122.7° |
| C37 | C38 | C30 | H50 | 117.1° | 118.6° |
| C37 | C38 | C30 | O13 | 16.7° | 1.9° |
| C37 | C38 | C30 | C29 | 104.1° | 121.4° |
| C37 | C38 | C30 | H42 | 133.5° | 117.6° |
| C38 | C37 | C31 | H43 | 75.2° | 81.7° |
| C38 | C37 | O14 | H49 | 70.4° | 174.2° |
| O15 | P3 | O16 | O18 | 122.0° | 120.0° |
| P3 | O15 | C38 | C30 | 136.9° | 123.9° |
| P3 | O15 | C38 | H50 | 16.2° | 1.2° |
| O15 | P3 | O16 | H51 | 113.7° | 180.0° |
| O15 | P3 | O18 | H52 | 112.9° | 60.0° |
| O16 | P3 | O15 | C38 | 135.2° | 175.0° |
| O16 | P3 | O18 | H52 | 127.7° | 60.0° |
| O18 | P3 | O15 | C38 | 13.1° | 65.0° |
| O18 | P3 | O16 | H51 | 124.3° | 60.0° |
| O15 | C38 | C30 | H50 | 121.8° | 122.8° |
| O15 | C38 | C30 | O13 | 104.5° | 120.6° |
| O15 | C38 | C30 | C29 | 134.7° | 119.9° |
| O15 | C38 | C30 | H42 | 12.4° | 1.1° |
| O15 | C38 | C37 | H48 | 160.3° | 144.0° |
| C38 | C30 | O13 | C29 | 126.5° | 119.5° |
| C38 | C30 | O13 | H42 | 115.9° | 119.4° |
| C38 | C30 | C29 | H42 | 122.1° | 121.0° |
| C38 | C30 | C29 | O12 | 35.9° | 175.3° |
| C38 | C30 | C29 | H40 | 84.0° | 64.7° |
| C38 | C30 | C29 | H41 | 155.8° | 55.3° |
| C30 | C38 | C37 | H48 | 82.7° | 97.2° |
| O13 | C30 | C29 | H42 | 118.1° | 121.0° |
| O13 | C30 | C29 | O12 | 155.6° | 66.7° |
| O13 | C30 | C29 | H40 | 35.7° | 53.3° |
| O13 | C30 | C29 | H41 | 84.4° | 173.3° |
| C30 | O13 | C31 | H43 | 83.1° | 78.6° |
| O13 | C30 | C38 | H50 | 133.8° | 116.7° |
| C30 | C29 | O12 | H40 | 119.9° | 120.0° |
| C30 | C29 | O12 | H41 | 119.9° | 120.0° |
| C30 | C29 | O12 | P2 | 152.8° | 180.0° |
| C30 | C29 | H40 | H41 | 120.3° | 120.0° |
| C29 | C30 | C38 | H50 | 12.9° | 2.8° |
| C29 | O12 | P2 | O10 | 164.7° | 55.0° |
| C29 | O12 | P2 | O9 | 37.9° | 175.0° |
| C29 | O12 | P2 | O11 | 71.5° | 65.0° |
| O12 | C29 | H40 | H41 | 120.3° | 120.0° |
| O12 | C29 | C30 | H42 | 86.2° | 54.3° |
| O12 | P2 | O10 | O9 | 111.9° | 120.0° |
| O12 | P2 | O10 | O11 | 122.4° | 120.0° |
| O12 | P2 | O9 | O11 | 111.7° | 120.0° |
| O12 | P2 | O9 | P1 | 133.0° | 165.0° |
| O12 | P2 | O11 | H39 | 124.1° | 60.0° |
| P2 | O12 | C29 | H40 | 87.3° | 60.0° |
| P2 | O12 | C29 | H41 | 32.9° | 60.0° |
| O10 | P2 | O9 | O11 | 128.2° | 120.0° |
| O10 | P2 | O9 | P1 | 12.8° | 45.0° |
| O10 | P2 | O11 | H39 | 0.0° | 179.9° |
| P2 | O9 | P1 | O7 | 172.1° | 40.0° |
| P2 | O9 | P1 | O8 | 27.7° | 80.0° |
| P2 | O9 | P1 | O6 | 74.6° | 160.0° |
| O9 | P2 | O11 | H39 | 133.5° | 60.0° |
| O11 | P2 | O9 | P1 | 115.3° | 75.0° |
| O9 | P1 | O7 | O8 | 130.1° | 120.0° |
| O9 | P1 | O7 | O6 | 113.9° | 120.1° |
| O9 | P1 | O8 | O6 | 110.4° | 120.0° |
| O9 | P1 | O6 | C28 | 66.3° | 175.0° |
| O9 | P1 | O8 | H38 | 129.5° | 60.0° |
| O7 | P1 | O8 | O6 | 120.0° | 120.0° |
| O7 | P1 | O6 | C28 | 45.7° | 55.0° |
| O7 | P1 | O8 | H38 | 0.0° | 180.0° |
| O8 | P1 | O6 | C28 | 175.7° | 65.0° |
| P1 | O6 | C28 | C25 | 152.4° | 179.9° |
| P1 | O6 | C28 | H36 | 32.7° | 60.0° |
| P1 | O6 | C28 | H37 | 87.9° | 60.0° |
| O6 | P1 | O8 | H38 | 120.0° | 60.0° |
| O5 | C24 | C25 | C28 | 57.0° | 58.9° |
| O5 | C24 | C25 | C23 | 123.4° | 120.0° |
| O5 | C24 | C25 | H28 | 117.6° | 120.0° |
| O5 | C24 | C23 | H28 | 120.0° | 120.0° |
| O5 | C24 | C23 | N2 | 0.4° | 7.6° |
| O5 | C24 | C25 | C27 | 58.1° | 61.1° |
| O5 | C24 | C25 | C26 | 179.2° | 178.9° |
| O5 | C24 | C23 | O4 | 179.5° | 172.4° |
| O6 | C28 | C25 | H36 | 119.7° | 120.0° |
| O6 | C28 | C25 | H37 | 119.7° | 120.0° |
| O6 | C28 | C25 | C24 | 70.2° | 180.0° |
| O6 | C28 | C25 | C27 | 169.7° | 60.1° |
| O6 | C28 | C25 | C26 | 51.9° | 60.0° |
| O6 | C28 | H36 | H37 | 120.9° | 120.0° |
| C28 | C25 | C24 | C27 | 115.1° | 119.9° |
| C28 | C25 | C24 | C26 | 122.2° | 120.0° |
| C28 | C25 | C24 | C23 | 179.6° | 178.8° |
| C28 | C25 | C27 | C26 | 118.5° | 120.1° |
| C28 | C25 | C24 | H28 | 60.6° | 61.2° |
| C28 | C25 | C26 | H30 | 180.0° | 172.3° |
| C28 | C25 | C26 | H31 | 60.0° | 52.3° |
| C28 | C25 | C26 | H32 | 60.0° | 67.6° |
| C28 | C25 | C27 | H33 | 180.0° | 59.9° |
| C28 | C25 | C27 | H34 | 60.0° | 60.1° |
| C28 | C25 | C27 | H35 | 60.0° | 180.0° |
| C25 | C28 | H36 | H37 | 120.9° | 120.0° |
| C25 | C24 | C23 | H28 | 118.8° | 120.0° |
| C25 | C24 | C23 | N2 | 120.8° | 112.4° |
| C24 | C25 | C27 | C26 | 123.2° | 120.0° |
| C25 | C24 | C23 | O4 | 58.2° | 67.6° |
| C25 | C24 | O5 | H29 | 180.0° | 59.9° |
| C24 | C25 | C26 | H30 | 58.4° | 67.7° |
| C24 | C25 | C26 | H31 | 178.5° | 172.3° |
| C24 | C25 | C26 | H32 | 61.6° | 52.3° |
| C24 | C25 | C27 | H33 | 61.6° | 60.0° |
| C24 | C25 | C27 | H34 | 58.4° | 180.0° |
| C24 | C25 | C27 | H35 | 178.3° | 60.1° |
| C24 | C25 | C28 | H36 | 49.5° | 60.0° |
| C24 | C25 | C28 | H37 | 170.1° | 60.0° |
| C24 | C23 | N2 | O4 | 179.0° | 180.0° |
| C24 | C23 | N2 | C22 | 178.2° | 174.7° |
| C23 | C24 | C25 | C27 | 65.3° | 58.9° |
| C23 | C24 | C25 | C26 | 57.4° | 61.1° |
| C24 | C23 | N2 | H13 | 1.8° | 5.3° |
| C23 | C24 | O5 | H29 | 55.8° | 60.1° |
| C23 | N2 | C22 | H13 | 180.0° | 180.0° |
| C23 | N2 | C22 | C21 | 63.9° | 180.0° |
| C23 | N2 | C22 | H26 | 56.6° | 60.0° |
| C23 | N2 | C22 | H27 | 175.6° | 60.0° |
| N2 | C23 | C24 | H28 | 120.4° | 127.6° |
| C22 | N2 | C23 | O4 | 0.8° | 5.2° |
| N2 | C22 | C21 | H26 | 120.5° | 120.0° |
| N2 | C22 | C21 | H27 | 120.5° | 120.0° |
| N2 | C22 | C21 | C20 | 41.0° | 180.0° |
| N2 | C22 | C21 | H24 | 79.4° | 60.0° |
| N2 | C22 | C21 | H25 | 161.5° | 60.0° |
| N2 | C22 | H26 | H27 | 118.5° | 120.0° |
| C27 | C25 | C24 | H28 | 175.7° | 178.9° |
| C27 | C25 | C26 | H30 | 65.7° | 52.2° |
| C27 | C25 | C26 | H31 | 54.4° | 67.7° |
| C27 | C25 | C26 | H32 | 174.3° | 172.3° |
| C25 | C27 | H33 | H34 | 120.0° | 120.0° |
| C25 | C27 | H33 | H35 | 120.0° | 120.0° |
| C25 | C27 | H34 | H35 | 120.0° | 119.9° |
| C27 | C25 | C28 | H36 | 70.6° | 60.0° |
| C27 | C25 | C28 | H37 | 50.0° | 180.0° |
| C26 | C25 | C24 | H28 | 61.6° | 58.9° |
| C25 | C26 | H30 | H31 | 120.0° | 120.0° |
| C25 | C26 | H30 | H32 | 120.0° | 120.1° |
| C25 | C26 | H31 | H32 | 120.0° | 120.0° |
| C26 | C25 | C27 | H33 | 61.5° | 180.0° |
| C26 | C25 | C27 | H34 | 178.5° | 60.0° |
| C26 | C25 | C27 | H35 | 58.5° | 59.9° |
| C26 | C25 | C28 | H36 | 171.6° | 180.0° |
| C26 | C25 | C28 | H37 | 67.8° | 59.9° |
| O4 | C23 | N2 | H13 | 179.2° | 174.8° |
| O4 | C23 | C24 | H28 | 60.6° | 52.4° |
| C22 | C21 | C20 | O3 | 33.7° | 0.1° |
| C22 | C21 | C20 | H24 | 120.4° | 120.0° |
| C22 | C21 | C20 | H25 | 120.4° | 120.0° |
| C22 | C21 | C20 | N1 | 148.3° | 180.0° |
| C21 | C22 | N2 | H13 | 116.2° | 0.0° |
| C22 | C21 | H24 | H25 | 118.6° | 120.0° |
| C21 | C22 | H26 | H27 | 118.5° | 120.0° |
| C12 | C11 | C10 | H4 | 180.0° | 179.8° |
| C11 | C12 | C13 | H10 | 180.0° | 179.8° |
| C12 | C11 | C10 | C9 | 0.4° | 0.2° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C12 | C11 | C10 | H9 | 179.6° | 179.8° |
| C11 | C12 | C13 | H11 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.2° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| C11 | C10 | C9 | C14 | 0.2° | 0.0° |
| C11 | C10 | C9 | C8 | 179.6° | 180.0° |
| C10 | C11 | C12 | H10 | 179.6° | 180.0° |
| O3 | C20 | C21 | N1 | 178.0° | 179.9° |
| O3 | C20 | N1 | C19 | 2.0° | 0.0° |
| O3 | C20 | N1 | H12 | 178.0° | 180.0° |
| O3 | C20 | C21 | H24 | 154.1° | 120.0° |
| O3 | C20 | C21 | H25 | 86.8° | 120.0° |
| C12 | C13 | C14 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | C9 | 0.1° | 0.3° |
| C12 | C13 | C14 | H2 | 179.9° | 180.0° |
| C13 | C12 | C11 | H4 | 179.6° | 180.0° |
| C10 | C9 | C14 | C13 | 0.1° | 0.3° |
| C10 | C9 | C14 | C8 | 179.4° | 180.0° |
| C10 | C9 | C8 | C7 | 67.1° | 90.0° |
| C10 | C9 | C14 | H2 | 179.9° | 180.0° |
| C9 | C10 | C11 | H4 | 179.6° | 180.0° |
| C10 | C9 | C8 | H7 | 53.6° | 150.0° |
| C10 | C9 | C8 | H8 | 172.1° | 30.0° |
| C21 | C20 | N1 | C19 | 176.0° | 180.0° |
| C21 | C20 | N1 | H12 | 4.0° | 0.1° |
| C20 | C21 | H24 | H25 | 118.6° | 120.0° |
| C20 | C21 | C22 | H26 | 161.5° | 60.0° |
| C20 | C21 | C22 | H27 | 79.5° | 60.0° |
| C20 | N1 | C19 | H12 | 180.0° | 180.0° |
| C20 | N1 | C19 | C18 | 63.0° | 180.0° |
| C20 | N1 | C19 | H22 | 57.5° | 60.0° |
| C20 | N1 | C19 | H23 | 176.4° | 60.0° |
| N1 | C20 | C21 | H24 | 27.9° | 60.0° |
| N1 | C20 | C21 | H25 | 91.2° | 60.1° |
| C13 | C14 | C9 | H2 | 180.0° | 179.7° |
| C13 | C14 | C9 | C8 | 179.3° | 179.7° |
| C14 | C13 | C12 | H10 | 179.9° | 179.8° |
| C14 | C9 | C8 | C7 | 113.5° | 90.0° |
| C14 | C9 | C8 | H7 | 125.7° | 30.0° |
| C14 | C9 | C8 | H8 | 7.2° | 150.0° |
| C14 | C9 | C10 | H9 | 179.8° | 180.0° |
| C9 | C14 | C13 | H11 | 179.9° | 179.8° |
| C9 | C8 | C7 | H7 | 120.8° | 120.0° |
| C9 | C8 | C7 | H8 | 120.8° | 120.0° |
| C9 | C8 | C7 | O1 | 107.7° | 180.0° |
| C8 | C9 | C14 | H2 | 0.7° | 0.0° |
| C9 | C8 | C7 | H5 | 132.4° | 60.0° |
| C9 | C8 | C7 | H6 | 12.1° | 60.0° |
| C9 | C8 | H7 | H8 | 117.7° | 120.0° |
| C8 | C9 | C10 | H9 | 0.4° | 0.0° |
| C8 | C7 | O1 | C6 | 174.2° | 180.0° |
| C8 | C7 | O1 | H5 | 119.9° | 119.9° |
| C8 | C7 | O1 | H6 | 119.9° | 120.0° |
| C8 | C7 | H5 | H6 | 120.4° | 120.0° |
| C7 | C8 | H7 | H8 | 117.6° | 119.9° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | O1 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | C15 | 0.9° | 0.0° |
| C5 | C4 | C3 | S1 | 179.7° | 179.8° |
| C5 | C4 | C3 | C16 | 0.2° | 0.3° |
| C5 | C6 | O1 | C15 | 179.1° | 179.9° |
| C5 | C6 | O1 | C7 | 173.3° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C5 | C6 | C15 | C16 | 1.0° | 0.2° |
| C6 | C5 | C4 | H1 | 179.7° | 179.7° |
| C5 | C6 | C15 | H18 | 179.0° | 180.0° |
| O1 | C6 | C15 | C16 | 180.0° | 179.7° |
| O1 | C6 | C5 | H3 | 0.0° | 0.0° |
| C6 | O1 | C7 | H5 | 65.9° | 60.1° |
| C6 | O1 | C7 | H6 | 54.3° | 59.9° |
| O1 | C6 | C15 | H18 | 0.1° | 0.0° |
| C7 | O1 | C6 | C15 | 7.6° | 0.1° |
| O1 | C7 | H5 | H6 | 120.3° | 120.1° |
| O1 | C7 | C8 | H7 | 13.0° | 59.9° |
| O1 | C7 | C8 | H8 | 131.5° | 60.0° |
| N1 | C19 | C18 | H22 | 120.5° | 120.0° |
| N1 | C19 | C18 | H23 | 120.5° | 120.0° |
| N1 | C19 | C18 | S2 | 176.8° | 180.0° |
| N1 | C19 | C18 | H20 | 62.3° | 60.0° |
| N1 | C19 | C18 | H21 | 55.9° | 60.1° |
| N1 | C19 | H22 | H23 | 118.4° | 120.0° |
| C4 | C3 | S1 | C16 | 179.9° | 180.0° |
| C4 | C3 | C16 | C15 | 0.1° | 0.5° |
| C4 | C3 | S1 | C2 | 125.2° | 176.0° |
| C3 | C4 | C5 | H3 | 179.7° | 180.0° |
| C4 | C3 | C16 | H19 | 179.9° | 180.0° |
| C19 | C18 | S2 | H20 | 120.9° | 120.0° |
| C19 | C18 | S2 | H21 | 120.9° | 119.9° |
| C19 | C18 | S2 | C17 | 82.4° | 180.0° |
| C18 | C19 | N1 | H12 | 117.0° | 0.0° |
| C19 | C18 | H20 | H21 | 117.1° | 120.0° |
| C18 | C19 | H22 | H23 | 118.4° | 120.0° |
| C6 | C15 | C16 | C3 | 0.5° | 0.5° |
| C6 | C15 | C16 | H18 | 180.0° | 179.8° |
| C15 | C6 | C5 | H3 | 179.1° | 180.0° |
| C6 | C15 | C16 | H19 | 179.5° | 180.0° |
| C18 | S2 | C17 | C2 | 166.8° | 180.0° |
| C18 | S2 | C17 | O2 | 9.9° | 0.0° |
| S2 | C18 | H20 | H21 | 117.1° | 120.0° |
| S2 | C18 | C19 | H22 | 56.3° | 60.0° |
| S2 | C18 | C19 | H23 | 62.7° | 60.0° |
| S2 | C17 | C2 | S1 | 38.0° | 155.0° |
| S2 | C17 | C2 | O2 | 176.6° | 180.0° |
| S2 | C17 | C2 | C1 | 165.8° | 85.0° |
| S2 | C17 | C2 | H17 | 77.2° | 35.1° |
| C17 | S2 | C18 | H20 | 38.5° | 60.0° |
| C17 | S2 | C18 | H21 | 156.7° | 60.1° |
| S1 | C3 | C16 | C15 | 179.8° | 179.5° |
| C3 | S1 | C2 | C17 | 124.5° | 69.6° |
| C3 | S1 | C2 | C1 | 109.9° | 170.4° |
| S1 | C3 | C4 | H1 | 0.3° | 0.1° |
| C3 | S1 | C2 | H17 | 7.4° | 50.4° |
| S1 | C3 | C16 | H19 | 0.2° | 0.0° |
| C3 | C16 | C15 | H19 | 180.0° | 179.5° |
| C16 | C3 | S1 | C2 | 54.6° | 4.1° |
| C16 | C3 | C4 | H1 | 179.8° | 180.0° |
| C3 | C16 | C15 | H18 | 179.5° | 179.7° |
| S1 | C2 | C17 | C1 | 127.8° | 120.0° |
| S1 | C2 | C17 | H17 | 115.2° | 120.0° |
| S1 | C2 | C17 | O2 | 145.4° | 25.0° |
| S1 | C2 | C1 | H17 | 115.3° | 120.0° |
| S1 | C2 | C1 | H14 | 180.0° | 55.1° |
| S1 | C2 | C1 | H15 | 60.0° | 64.8° |
| S1 | C2 | C1 | H16 | 60.0° | 175.1° |
| C17 | C2 | C1 | H17 | 116.9° | 120.0° |
| C17 | C2 | C1 | H14 | 52.3° | 64.8° |
| C17 | C2 | C1 | H15 | 67.8° | 175.2° |
| C17 | C2 | C1 | H16 | 172.3° | 55.2° |
| O2 | C17 | C2 | C1 | 17.6° | 95.0° |
| O2 | C17 | C2 | H17 | 99.4° | 145.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| H1 | C4 | C5 | H3 | 0.3° | 0.3° |
| H2 | C14 | C13 | H11 | 0.1° | 0.0° |
| H4 | C11 | C10 | H9 | 0.4° | 0.0° |
| H4 | C11 | C12 | H10 | 0.4° | 0.2° |
| H5 | C7 | C8 | H7 | 106.8° | 60.0° |
| H5 | C7 | C8 | H8 | 11.6° | 180.0° |
| H6 | C7 | C8 | H7 | 132.9° | 180.0° |
| H6 | C7 | C8 | H8 | 108.6° | 60.0° |
| H10 | C12 | C13 | H11 | 0.1° | 0.2° |
| H12 | N1 | C19 | H22 | 122.5° | 120.0° |
| H12 | N1 | C19 | H23 | 3.6° | 120.0° |
| H13 | N2 | C22 | H26 | 123.4° | 120.0° |
| H13 | N2 | C22 | H27 | 4.3° | 120.0° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H14 | C1 | C2 | H17 | 64.7° | 175.1° |
| H15 | C1 | C2 | H17 | 175.3° | 55.2° |
| H16 | C1 | C2 | H17 | 55.3° | 64.9° |
| H18 | C15 | C16 | H19 | 0.5° | 0.3° |
| H20 | C18 | C19 | H22 | 177.2° | 60.0° |
| H20 | C18 | C19 | H23 | 58.2° | 180.0° |
| H21 | C18 | C19 | H22 | 64.6° | 179.9° |
| H21 | C18 | C19 | H23 | 176.4° | 60.0° |
| H24 | C21 | C22 | H26 | 41.1° | 60.0° |
| H24 | C21 | C22 | H27 | 160.1° | 180.0° |
| H25 | C21 | C22 | H26 | 78.1° | 180.0° |
| H25 | C21 | C22 | H27 | 41.0° | 60.0° |
| H28 | C24 | O5 | H29 | 63.4° | 179.9° |
| H30 | C26 | H31 | H32 | 120.0° | 120.0° |
| H33 | C27 | H34 | H35 | 120.0° | 120.1° |
| H40 | C29 | C30 | H42 | 153.9° | 174.3° |
| H41 | C29 | C30 | H42 | 33.7° | 65.7° |
| H42 | C30 | C38 | H50 | 109.4° | 123.9° |
| H43 | C31 | C37 | H48 | 168.0° | 160.0° |
| H48 | C37 | O14 | H49 | 59.6° | 62.1° |
| H48 | C37 | C38 | H50 | 34.3° | 21.3° |
