A1JJ3
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 | 1.41Å | Aromatic |
| N7 | C36 | sing | 1.33Å | 1.35Å | Aromatic |
| C33 | C36 | doub | 1.40Å | 1.38Å | Aromatic |
| C33 | N4 | sing | 1.35Å | 1.38Å | Aromatic |
| C36 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| O14 | C37 | sing | 1.43Å | 1.41Å | |
| O18 | P3 | doub | 1.48Å | 1.50Å | |
| N4 | C32 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C31 | sing | 1.46Å | 1.46Å | |
| N3 | C32 | sing | 1.36Å | 1.37Å | Aromatic |
| C31 | C37 | sing | 1.55Å | 1.52Å | |
| C31 | O13 | sing | 1.44Å | 1.43Å | |
| C37 | C38 | sing | 1.55Å | 1.53Å | |
| O17 | P3 | sing | 1.61Å | 1.51Å | |
| O15 | P3 | sing | 1.61Å | 1.61Å | |
| O15 | C38 | sing | 1.43Å | 1.42Å | |
| P3 | O16 | sing | 1.61Å | 1.51Å | |
| 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 | O11 | doub | 1.48Å | 1.49Å | |
| P2 | O9 | sing | 1.61Å | 1.59Å | |
| P2 | O10 | sing | 1.61Å | 1.49Å | |
| O9 | P1 | sing | 1.61Å | 1.60Å | |
| O8 | P1 | doub | 1.48Å | 1.47Å | |
| O7 | P1 | 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 | 1.33Å | |
| N2 | C22 | sing | 1.46Å | 1.45Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C23 | O4 | doub | 1.21Å | 1.24Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| O3 | C20 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | N1 | sing | 1.35Å | 1.34Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| N1 | C19 | sing | 1.46Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.46Å | |
| C18 | S2 | sing | 1.81Å | 1.82Å | |
| C8 | O1 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| S2 | C17 | sing | 1.71Å | 1.80Å | |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | O1 | sing | 1.36Å | 1.39Å | |
| C7 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | S1 | sing | 1.76Å | 1.80Å | |
| S1 | C2 | sing | 1.81Å | 1.83Å | |
| C17 | C2 | sing | 1.51Å | 1.52Å | |
| C17 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| 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 | |
| O7 | H38 | sing | 0.97Å | 0.95Å | |
| O10 | 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 | |
| O17 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | N6 | C34 | 118.7° | 121.2° |
| N6 | C35 | N7 | 128.9° | 122.5° |
| N6 | C35 | H47 | 115.5° | 118.8° |
| N6 | C34 | N5 | 118.5° | 120.8° |
| N6 | C34 | C33 | 117.4° | 118.4° |
| C35 | N7 | C36 | 111.1° | 120.6° |
| N7 | C35 | H47 | 115.5° | 118.8° |
| N5 | C34 | C33 | 123.9° | 120.8° |
| C34 | N5 | H45 | 109.5° | 120.0° |
| C34 | N5 | H46 | 109.5° | 120.0° |
| C34 | C33 | C36 | 117.2° | 118.2° |
| C34 | C33 | N4 | 132.4° | 134.7° |
| N7 | C36 | C33 | 126.5° | 119.1° |
| N7 | C36 | N3 | 127.8° | 134.9° |
| C36 | C33 | N4 | 110.5° | 107.1° |
| C33 | C36 | N3 | 105.7° | 106.0° |
| C33 | N4 | C32 | 104.4° | 109.5° |
| C36 | N3 | C31 | 125.5° | 126.3° |
| C36 | N3 | C32 | 106.2° | 107.4° |
| O14 | C37 | C31 | 103.8° | 110.9° |
| O14 | C37 | C38 | 119.5° | 110.8° |
| O14 | C37 | H48 | 112.1° | 110.8° |
| C37 | O14 | H49 | 109.5° | 114.0° |
| O18 | P3 | O17 | 116.0° | 109.5° |
| O18 | P3 | O15 | 99.5° | 109.4° |
| O18 | P3 | O16 | 107.6° | 109.5° |
| N4 | C32 | N3 | 113.3° | 110.0° |
| N4 | C32 | H44 | 123.3° | 125.0° |
| C31 | N3 | C32 | 127.7° | 126.2° |
| N3 | C31 | C37 | 118.3° | 110.6° |
| N3 | C31 | O13 | 107.1° | 110.7° |
| N3 | C31 | H43 | 108.6° | 110.5° |
| N3 | C32 | H44 | 123.4° | 125.0° |
| C37 | C31 | O13 | 105.5° | 103.5° |
| C31 | C37 | C38 | 99.6° | 102.1° |
| C37 | C31 | H43 | 107.9° | 110.6° |
| C31 | C37 | H48 | 110.4° | 110.9° |
| C31 | O13 | C30 | 109.4° | 107.0° |
| O13 | C31 | H43 | 109.0° | 110.9° |
| C37 | C38 | O15 | 113.7° | 110.5° |
| C37 | C38 | C30 | 102.5° | 104.1° |
| C38 | C37 | H48 | 110.2° | 111.0° |
| C37 | C38 | H50 | 110.9° | 110.5° |
| O17 | P3 | O15 | 103.7° | 109.5° |
| O17 | P3 | O16 | 111.1° | 109.5° |
| P3 | O17 | H52 | 109.5° | 114.0° |
| P3 | O15 | C38 | 128.3° | 123.0° |
| O15 | P3 | O16 | 118.8° | 109.5° |
| O15 | C38 | C30 | 105.7° | 110.6° |
| O15 | C38 | H50 | 112.6° | 110.5° |
| P3 | O16 | H51 | 109.5° | 114.0° |
| C38 | C30 | O13 | 105.3° | 107.4° |
| C38 | C30 | C29 | 117.6° | 109.9° |
| C38 | C30 | H42 | 107.5° | 109.9° |
| C30 | C38 | H50 | 110.8° | 110.5° |
| O13 | C30 | C29 | 109.4° | 109.9° |
| O13 | C30 | H42 | 108.8° | 109.9° |
| C30 | C29 | O12 | 107.9° | 109.5° |
| C30 | C29 | H40 | 109.9° | 109.5° |
| C30 | C29 | H41 | 109.9° | 109.5° |
| C29 | C30 | H42 | 107.9° | 109.9° |
| C29 | O12 | P2 | 119.7° | 123.0° |
| O12 | C29 | H40 | 109.9° | 109.5° |
| O12 | C29 | H41 | 109.9° | 109.4° |
| O12 | P2 | O11 | 106.4° | 109.5° |
| O12 | P2 | O9 | 98.4° | 109.5° |
| O12 | P2 | O10 | 110.7° | 109.4° |
| O11 | P2 | O9 | 107.4° | 109.5° |
| O11 | P2 | O10 | 112.5° | 109.5° |
| O9 | P2 | O10 | 119.9° | 109.5° |
| P2 | O9 | P1 | 124.7° | 134.0° |
| P2 | O10 | H39 | 109.5° | 114.0° |
| O9 | P1 | O8 | 101.9° | 109.4° |
| O9 | P1 | O7 | 106.7° | 109.5° |
| O9 | P1 | O6 | 104.0° | 109.5° |
| O8 | P1 | O7 | 132.1° | 109.4° |
| O8 | P1 | O6 | 107.6° | 109.5° |
| O7 | P1 | O6 | 101.7° | 109.5° |
| P1 | O7 | H38 | 109.5° | 113.9° |
| P1 | O6 | C28 | 123.6° | 123.0° |
| O5 | C24 | C25 | 105.2° | 109.5° |
| O5 | C24 | C23 | 111.2° | 109.4° |
| O5 | C24 | H28 | 109.9° | 109.5° |
| C24 | O5 | H29 | 109.5° | 114.0° |
| O6 | C28 | C25 | 107.2° | 109.5° |
| O6 | C28 | H36 | 110.0° | 109.4° |
| O6 | C28 | H37 | 110.0° | 109.4° |
| C28 | C25 | C24 | 111.7° | 109.5° |
| C28 | C25 | C27 | 103.1° | 109.5° |
| C28 | C25 | C26 | 112.1° | 109.5° |
| C25 | C28 | H36 | 110.1° | 109.5° |
| C25 | C28 | H37 | 110.0° | 109.5° |
| C25 | C24 | C23 | 113.9° | 109.4° |
| C24 | C25 | C27 | 112.0° | 109.5° |
| C24 | C25 | C26 | 107.9° | 109.5° |
| C25 | C24 | H28 | 108.1° | 109.5° |
| C24 | C23 | N2 | 115.1° | 120.0° |
| C24 | C23 | O4 | 121.7° | 120.0° |
| C23 | C24 | H28 | 108.5° | 109.5° |
| C23 | N2 | C22 | 123.5° | 120.0° |
| N2 | C23 | O4 | 123.2° | 120.0° |
| C23 | N2 | H13 | 118.2° | 120.0° |
| N2 | C22 | C21 | 112.0° | 109.5° |
| C22 | N2 | H13 | 118.3° | 120.0° |
| N2 | C22 | H26 | 108.8° | 109.5° |
| N2 | C22 | H27 | 108.8° | 109.5° |
| C27 | C25 | C26 | 110.1° | 109.4° |
| C25 | C27 | H33 | 109.5° | 109.4° |
| C25 | C27 | H34 | 109.5° | 109.5° |
| C25 | C27 | H35 | 109.5° | 109.5° |
| C25 | C26 | H30 | 109.5° | 109.5° |
| C25 | C26 | H31 | 109.5° | 109.5° |
| C25 | C26 | H32 | 109.5° | 109.5° |
| C22 | C21 | C20 | 111.4° | 109.5° |
| C22 | C21 | H24 | 109.0° | 109.4° |
| C22 | C21 | H25 | 109.0° | 109.5° |
| C21 | C22 | H26 | 108.8° | 109.4° |
| C21 | C22 | H27 | 108.8° | 109.5° |
| O3 | C20 | C21 | 121.3° | 119.9° |
| O3 | C20 | N1 | 122.9° | 120.0° |
| C15 | C14 | C13 | 120.3° | 119.9° |
| C14 | C15 | C10 | 121.1° | 120.1° |
| C15 | C14 | H2 | 119.8° | 120.1° |
| C14 | C15 | H18 | 119.4° | 119.9° |
| C14 | C13 | C12 | 119.4° | 120.0° |
| C13 | C14 | H2 | 119.9° | 120.0° |
| C14 | C13 | H11 | 120.3° | 120.0° |
| C15 | C10 | C9 | 121.4° | 120.0° |
| C15 | C10 | C11 | 117.7° | 120.0° |
| C10 | C15 | H18 | 119.5° | 120.0° |
| C13 | C12 | C11 | 120.7° | 120.0° |
| C13 | C12 | H10 | 119.7° | 120.0° |
| C12 | C13 | H11 | 120.3° | 120.0° |
| C21 | C20 | N1 | 115.2° | 120.0° |
| C20 | C21 | H24 | 109.0° | 109.4° |
| C20 | C21 | H25 | 109.0° | 109.5° |
| C20 | N1 | C19 | 125.2° | 120.0° |
| C20 | N1 | H12 | 117.4° | 120.0° |
| C9 | C10 | C11 | 120.9° | 120.0° |
| C10 | C9 | C8 | 115.3° | 109.5° |
| C10 | C9 | H8 | 108.0° | 109.5° |
| C10 | C9 | H9 | 108.0° | 109.4° |
| C10 | C11 | C12 | 120.9° | 120.0° |
| C10 | C11 | H5 | 119.5° | 120.0° |
| C12 | C11 | H5 | 119.6° | 120.0° |
| C11 | C12 | H10 | 119.7° | 120.0° |
| C9 | C8 | O1 | 109.5° | 109.4° |
| C9 | C8 | H6 | 109.5° | 109.5° |
| C9 | C8 | H7 | 109.5° | 109.5° |
| C8 | C9 | H8 | 108.0° | 109.5° |
| C8 | C9 | H9 | 108.0° | 109.5° |
| N1 | C19 | C18 | 114.3° | 109.5° |
| C19 | N1 | H12 | 117.4° | 120.0° |
| N1 | C19 | H22 | 108.3° | 109.5° |
| N1 | C19 | H23 | 108.2° | 109.5° |
| C19 | C18 | S2 | 118.4° | 109.5° |
| C19 | C18 | H20 | 107.2° | 109.5° |
| C19 | C18 | H21 | 107.2° | 109.5° |
| C18 | C19 | H22 | 108.2° | 109.4° |
| C18 | C19 | H23 | 108.3° | 109.4° |
| C18 | S2 | C17 | 115.1° | 100.0° |
| S2 | C18 | H20 | 107.2° | 109.5° |
| S2 | C18 | H21 | 107.2° | 109.5° |
| C8 | O1 | C7 | 120.7° | 117.0° |
| O1 | C8 | H6 | 109.5° | 109.5° |
| O1 | C8 | H7 | 109.5° | 109.5° |
| C6 | C5 | C4 | 121.5° | 120.1° |
| C5 | C6 | C7 | 119.0° | 120.1° |
| C6 | C5 | H3 | 119.2° | 119.9° |
| C5 | C6 | H4 | 120.5° | 120.0° |
| C5 | C4 | C3 | 120.5° | 120.1° |
| C5 | C4 | H1 | 119.7° | 120.0° |
| C4 | C5 | H3 | 119.3° | 119.9° |
| C6 | C7 | O1 | 119.6° | 120.0° |
| C6 | C7 | C16 | 120.1° | 120.0° |
| C7 | C6 | H4 | 120.5° | 119.9° |
| S2 | C17 | C2 | 114.0° | 120.0° |
| S2 | C17 | O2 | 125.3° | 120.0° |
| C4 | C3 | C16 | 117.7° | 119.9° |
| C4 | C3 | S1 | 119.3° | 120.1° |
| C3 | C4 | H1 | 119.7° | 119.9° |
| O1 | C7 | C16 | 120.3° | 120.0° |
| C7 | C16 | C3 | 121.2° | 119.8° |
| C7 | C16 | H19 | 119.4° | 120.1° |
| C16 | C3 | S1 | 123.0° | 120.0° |
| C3 | C16 | H19 | 119.4° | 120.1° |
| C3 | S1 | C2 | 110.5° | 103.0° |
| S1 | C2 | C17 | 114.9° | 109.5° |
| S1 | C2 | C1 | 114.8° | 109.5° |
| S1 | C2 | H17 | 103.3° | 109.5° |
| C2 | C17 | O2 | 120.4° | 120.0° |
| C17 | C2 | C1 | 110.5° | 109.4° |
| C17 | C2 | H17 | 106.1° | 109.4° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| C2 | C1 | H15 | 109.4° | 109.4° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C1 | C2 | H17 | 106.1° | 109.4° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C9 | H9 | 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° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.4° |
| H26 | C22 | H27 | 109.5° | 109.4° |
| H30 | C26 | H31 | 109.5° | 109.5° |
| H30 | C26 | H32 | 109.5° | 109.4° |
| H31 | C26 | H32 | 109.5° | 109.4° |
| H33 | C27 | H34 | 109.4° | 109.5° |
| H33 | C27 | H35 | 109.5° | 109.4° |
| H34 | C27 | H35 | 109.5° | 109.5° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H40 | C29 | H41 | 109.5° | 109.4° |
| H45 | N5 | H46 | 109.5° | 120.1° |
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 | 179.1° | 179.9° |
| C35 | N6 | C34 | C33 | 4.3° | 0.0° |
| N6 | C35 | N7 | C36 | 1.2° | 0.1° |
| C34 | N6 | C35 | N7 | 4.0° | 0.0° |
| N6 | C34 | N5 | C33 | 174.4° | 179.9° |
| N6 | C34 | C33 | C36 | 2.4° | 0.0° |
| N6 | C34 | C33 | N4 | 176.9° | 179.5° |
| N6 | C34 | N5 | H45 | 0.0° | 180.0° |
| N6 | C34 | N5 | H46 | 120.0° | 0.0° |
| C34 | N6 | C35 | H47 | 176.0° | 180.0° |
| C35 | N7 | C36 | C33 | 1.1° | 0.0° |
| C35 | N7 | C36 | N3 | 179.4° | 180.0° |
| N5 | C34 | C33 | C36 | 176.9° | 179.9° |
| N5 | C34 | C33 | N4 | 2.4° | 0.4° |
| C34 | N5 | H45 | H46 | 120.0° | 179.9° |
| C34 | C33 | C36 | N7 | 0.4° | 0.0° |
| C34 | C33 | C36 | N4 | 179.4° | 179.7° |
| C34 | C33 | C36 | N3 | 180.0° | 180.0° |
| C34 | C33 | N4 | C32 | 178.8° | 179.8° |
| C33 | C34 | N5 | H45 | 174.4° | 0.1° |
| C33 | C34 | N5 | H46 | 54.4° | 180.0° |
| N7 | C36 | C33 | N3 | 179.6° | 180.0° |
| N7 | C36 | C33 | N4 | 179.8° | 179.7° |
| N7 | C36 | N3 | C31 | 7.0° | 0.1° |
| N7 | C36 | N3 | C32 | 178.9° | 179.6° |
| C36 | N7 | C35 | H47 | 178.8° | 180.0° |
| C36 | C33 | N4 | C32 | 0.6° | 0.2° |
| C33 | C36 | N3 | C31 | 173.4° | 179.8° |
| C33 | C36 | N3 | C32 | 1.4° | 0.4° |
| N4 | C33 | C36 | N3 | 0.6° | 0.4° |
| C33 | N4 | C32 | N3 | 1.5° | 0.1° |
| C33 | N4 | C32 | H44 | 178.5° | 180.0° |
| C36 | N3 | C32 | N4 | 2.0° | 0.3° |
| C36 | N3 | C31 | C32 | 170.2° | 179.7° |
| C36 | N3 | C31 | C37 | 110.6° | 84.7° |
| C36 | N3 | C31 | O13 | 130.5° | 161.2° |
| C36 | N3 | C31 | H43 | 12.8° | 38.1° |
| C36 | N3 | C32 | H44 | 178.1° | 179.8° |
| O14 | C37 | C31 | N3 | 76.6° | 86.2° |
| O14 | C37 | C31 | C38 | 123.7° | 118.1° |
| O14 | C37 | C31 | H48 | 120.4° | 123.6° |
| O14 | C37 | C31 | O13 | 163.6° | 155.2° |
| O14 | C37 | C38 | H48 | 132.0° | 123.6° |
| O14 | C37 | C38 | O15 | 37.3° | 20.4° |
| O14 | C37 | C38 | C30 | 150.9° | 139.2° |
| O14 | C37 | C31 | H43 | 47.2° | 36.4° |
| O14 | C37 | C38 | H50 | 90.8° | 102.3° |
| O18 | P3 | O17 | O15 | 107.9° | 120.0° |
| O18 | P3 | O17 | O16 | 123.3° | 120.0° |
| O18 | P3 | O15 | O16 | 116.3° | 120.0° |
| O18 | P3 | O15 | C38 | 87.0° | 55.0° |
| O18 | P3 | O16 | H51 | 0.0° | 60.0° |
| O18 | P3 | O17 | H52 | 0.0° | 180.0° |
| N4 | C32 | N3 | C31 | 173.7° | 180.0° |
| N4 | C32 | N3 | H44 | 180.0° | 179.9° |
| N3 | C31 | C37 | O13 | 119.8° | 118.6° |
| N3 | C31 | C37 | H43 | 123.8° | 122.7° |
| N3 | C31 | O13 | H43 | 117.4° | 122.9° |
| N3 | C31 | C37 | C38 | 159.7° | 155.6° |
| N3 | C31 | O13 | C30 | 152.1° | 158.6° |
| C31 | N3 | C32 | H44 | 6.3° | 0.0° |
| N3 | C31 | C37 | H48 | 43.8° | 37.3° |
| C32 | N3 | C31 | C37 | 79.2° | 95.0° |
| C32 | N3 | C31 | O13 | 39.7° | 19.1° |
| C32 | N3 | C31 | H43 | 157.4° | 142.2° |
| C37 | C31 | O13 | H43 | 115.6° | 118.6° |
| C31 | C37 | C38 | H48 | 116.1° | 118.2° |
| C31 | C37 | C38 | O15 | 74.6° | 97.8° |
| C31 | C37 | C38 | C30 | 39.0° | 21.0° |
| C37 | C31 | O13 | C30 | 25.1° | 40.0° |
| C31 | C37 | O14 | H49 | 180.0° | 61.5° |
| C31 | C37 | C38 | H50 | 157.3° | 139.6° |
| O13 | C31 | C37 | C38 | 39.9° | 37.1° |
| C31 | O13 | C30 | C38 | 0.8° | 26.4° |
| C31 | O13 | C30 | C29 | 126.5° | 145.9° |
| C31 | O13 | C30 | H42 | 115.8° | 93.1° |
| O13 | C31 | C37 | H48 | 76.1° | 81.2° |
| C37 | C38 | O15 | P3 | 123.5° | 121.4° |
| C37 | C38 | O15 | C30 | 111.7° | 114.7° |
| C37 | C38 | O15 | H50 | 127.2° | 122.6° |
| C37 | C38 | C30 | H50 | 118.4° | 118.6° |
| C37 | C38 | C30 | O13 | 25.8° | 1.9° |
| C37 | C38 | C30 | C29 | 96.4° | 121.4° |
| C37 | C38 | C30 | H42 | 141.7° | 117.6° |
| C38 | C37 | C31 | H43 | 76.6° | 81.7° |
| C38 | C37 | O14 | H49 | 70.4° | 174.1° |
| O17 | P3 | O15 | O16 | 123.8° | 120.0° |
| O17 | P3 | O15 | C38 | 153.1° | 65.0° |
| O17 | P3 | O16 | H51 | 128.0° | 60.0° |
| P3 | O15 | C38 | C30 | 124.8° | 123.9° |
| P3 | O15 | C38 | H50 | 3.7° | 1.2° |
| O15 | P3 | O16 | H51 | 111.9° | 180.0° |
| O15 | P3 | O17 | H52 | 107.9° | 60.0° |
| C38 | O15 | P3 | O16 | 29.2° | 175.0° |
| O15 | C38 | C30 | H50 | 122.3° | 122.7° |
| O15 | C38 | C30 | O13 | 93.6° | 120.6° |
| O15 | C38 | C30 | C29 | 144.3° | 119.9° |
| O15 | C38 | C30 | H42 | 22.4° | 1.1° |
| O15 | C38 | C37 | H48 | 169.3° | 143.9° |
| O16 | P3 | O17 | H52 | 123.3° | 60.0° |
| C38 | C30 | O13 | C29 | 127.3° | 119.5° |
| C38 | C30 | O13 | H42 | 115.0° | 119.5° |
| C38 | C30 | C29 | H42 | 121.7° | 121.0° |
| C38 | C30 | C29 | O12 | 52.2° | 175.3° |
| C38 | C30 | C29 | H40 | 67.6° | 64.7° |
| C38 | C30 | C29 | H41 | 171.9° | 55.4° |
| C30 | C38 | C37 | H48 | 77.0° | 97.3° |
| O13 | C30 | C29 | H42 | 118.2° | 121.0° |
| O13 | C30 | C29 | O12 | 172.2° | 66.7° |
| O13 | C30 | C29 | H40 | 52.4° | 53.3° |
| O13 | C30 | C29 | H41 | 68.1° | 173.3° |
| C30 | O13 | C31 | H43 | 90.5° | 78.5° |
| O13 | C30 | C38 | H50 | 144.1° | 116.7° |
| C30 | C29 | O12 | H40 | 119.8° | 120.1° |
| C30 | C29 | O12 | H41 | 119.8° | 120.0° |
| C30 | C29 | O12 | P2 | 150.7° | 180.0° |
| C30 | C29 | H40 | H41 | 120.7° | 120.1° |
| C29 | C30 | C38 | H50 | 22.0° | 2.8° |
| C29 | O12 | P2 | O11 | 65.7° | 54.9° |
| C29 | O12 | P2 | O9 | 45.3° | 175.0° |
| C29 | O12 | P2 | O10 | 171.8° | 65.1° |
| O12 | C29 | H40 | H41 | 120.7° | 119.9° |
| O12 | C29 | C30 | H42 | 69.6° | 54.3° |
| O12 | P2 | O11 | O9 | 104.6° | 120.0° |
| O12 | P2 | O11 | O10 | 121.4° | 119.9° |
| O12 | P2 | O9 | O10 | 119.8° | 120.0° |
| O12 | P2 | O9 | P1 | 123.7° | 160.0° |
| O12 | P2 | O10 | H39 | 118.9° | 60.0° |
| P2 | O12 | C29 | H40 | 89.6° | 59.9° |
| P2 | O12 | C29 | H41 | 30.9° | 60.0° |
| O11 | P2 | O9 | O10 | 130.0° | 120.0° |
| O11 | P2 | O9 | P1 | 126.0° | 40.0° |
| O11 | P2 | O10 | H39 | 0.0° | 180.0° |
| P2 | O9 | P1 | O8 | 166.6° | 40.0° |
| P2 | O9 | P1 | O7 | 25.4° | 80.0° |
| P2 | O9 | P1 | O6 | 81.7° | 160.0° |
| O9 | P2 | O10 | H39 | 127.7° | 59.9° |
| O10 | P2 | O9 | P1 | 4.0° | 80.0° |
| O9 | P1 | O8 | O7 | 125.9° | 119.9° |
| O9 | P1 | O8 | O6 | 109.0° | 120.0° |
| O9 | P1 | O7 | O6 | 108.7° | 120.1° |
| O9 | P1 | O6 | C28 | 64.8° | 175.0° |
| O9 | P1 | O7 | H38 | 124.2° | 60.0° |
| O8 | P1 | O7 | O6 | 127.1° | 120.0° |
| O8 | P1 | O6 | C28 | 42.8° | 55.0° |
| O8 | P1 | O7 | H38 | 0.0° | 180.0° |
| O7 | P1 | O6 | C28 | 175.6° | 65.0° |
| P1 | O6 | C28 | C25 | 149.3° | 180.0° |
| P1 | O6 | C28 | H36 | 29.7° | 60.0° |
| P1 | O6 | C28 | H37 | 91.0° | 60.0° |
| O6 | P1 | O7 | H38 | 127.2° | 60.0° |
| O5 | C24 | C25 | C28 | 57.3° | 58.5° |
| O5 | C24 | C25 | C23 | 122.0° | 120.0° |
| O5 | C24 | C25 | H28 | 117.4° | 120.0° |
| O5 | C24 | C23 | H28 | 121.0° | 120.0° |
| O5 | C24 | C23 | N2 | 3.5° | 7.0° |
| O5 | C24 | C25 | C27 | 57.8° | 61.5° |
| O5 | C24 | C25 | C26 | 179.1° | 178.5° |
| O5 | C24 | C23 | O4 | 175.3° | 172.9° |
| O6 | C28 | C25 | H36 | 119.6° | 120.0° |
| O6 | C28 | C25 | H37 | 119.6° | 120.0° |
| O6 | C28 | C25 | C24 | 68.2° | 180.0° |
| O6 | C28 | C25 | C27 | 171.4° | 60.0° |
| O6 | C28 | C25 | C26 | 53.0° | 60.0° |
| O6 | C28 | H36 | H37 | 121.0° | 119.9° |
| C28 | C25 | C24 | C27 | 115.1° | 120.0° |
| C28 | C25 | C24 | C26 | 123.6° | 120.0° |
| C28 | C25 | C24 | C23 | 179.3° | 178.4° |
| C28 | C25 | C27 | C26 | 119.8° | 120.0° |
| C28 | C25 | C24 | H28 | 60.1° | 61.6° |
| C28 | C25 | C26 | H30 | 180.0° | 171.6° |
| C28 | C25 | C26 | H31 | 60.0° | 51.6° |
| C28 | C25 | C26 | H32 | 60.0° | 68.4° |
| C28 | C25 | C27 | H33 | 180.0° | 60.1° |
| C28 | C25 | C27 | H34 | 60.0° | 60.0° |
| C28 | C25 | C27 | H35 | 60.0° | 180.0° |
| C25 | C28 | H36 | H37 | 121.1° | 120.1° |
| C25 | C24 | C23 | H28 | 120.4° | 120.0° |
| C25 | C24 | C23 | N2 | 115.1° | 113.0° |
| C24 | C25 | C27 | C26 | 120.0° | 120.0° |
| C25 | C24 | C23 | O4 | 66.1° | 67.1° |
| C25 | C24 | O5 | H29 | 122.0° | 60.0° |
| C24 | C25 | C26 | H30 | 56.7° | 68.4° |
| C24 | C25 | C26 | H31 | 176.7° | 171.6° |
| C24 | C25 | C26 | H32 | 63.3° | 51.6° |
| C24 | C25 | C27 | H33 | 59.8° | 60.0° |
| C24 | C25 | C27 | H34 | 60.2° | 180.0° |
| C24 | C25 | C27 | H35 | 179.8° | 60.0° |
| C24 | C25 | C28 | H36 | 51.5° | 60.0° |
| C24 | C25 | C28 | H37 | 172.2° | 60.0° |
| C24 | C23 | N2 | O4 | 178.7° | 179.9° |
| C24 | C23 | N2 | C22 | 175.4° | 175.2° |
| C23 | C24 | C25 | C27 | 64.2° | 58.4° |
| C23 | C24 | C25 | C26 | 57.2° | 61.6° |
| C24 | C23 | N2 | H13 | 4.5° | 4.8° |
| C23 | C24 | O5 | H29 | 114.3° | 60.0° |
| C23 | N2 | C22 | H13 | 180.0° | 180.0° |
| C23 | N2 | C22 | C21 | 76.1° | 180.0° |
| C23 | N2 | C22 | H26 | 44.2° | 60.0° |
| C23 | N2 | C22 | H27 | 163.5° | 60.0° |
| N2 | C23 | C24 | H28 | 124.5° | 127.0° |
| C22 | N2 | C23 | O4 | 3.3° | 4.8° |
| N2 | C22 | C21 | H26 | 120.4° | 120.0° |
| N2 | C22 | C21 | H27 | 120.4° | 120.1° |
| N2 | C22 | C21 | C20 | 34.3° | 179.9° |
| N2 | C22 | C21 | H24 | 86.0° | 60.0° |
| N2 | C22 | C21 | H25 | 154.6° | 60.0° |
| N2 | C22 | H26 | H27 | 118.9° | 120.0° |
| C27 | C25 | C24 | H28 | 175.2° | 178.4° |
| C27 | C25 | C26 | H30 | 65.8° | 51.7° |
| C27 | C25 | C26 | H31 | 54.2° | 68.4° |
| C27 | C25 | C26 | H32 | 174.2° | 171.7° |
| C25 | C27 | H33 | H34 | 120.0° | 120.1° |
| C25 | C27 | H33 | H35 | 120.0° | 119.9° |
| C25 | C27 | H34 | H35 | 120.0° | 120.0° |
| C27 | C25 | C28 | H36 | 69.0° | 60.0° |
| C27 | C25 | C28 | H37 | 51.8° | 179.9° |
| C26 | C25 | C24 | H28 | 63.5° | 58.5° |
| C25 | C26 | H30 | H31 | 120.0° | 120.1° |
| C25 | C26 | H30 | H32 | 120.0° | 120.0° |
| C25 | C26 | H31 | H32 | 120.0° | 120.0° |
| C26 | C25 | C27 | H33 | 60.3° | 180.0° |
| C26 | C25 | C27 | H34 | 179.8° | 60.0° |
| C26 | C25 | C27 | H35 | 59.8° | 60.1° |
| C26 | C25 | C28 | H36 | 172.6° | 179.9° |
| C26 | C25 | C28 | H37 | 66.7° | 60.0° |
| O4 | C23 | N2 | H13 | 176.7° | 175.1° |
| O4 | C23 | C24 | H28 | 54.3° | 52.9° |
| C22 | C21 | C20 | O3 | 52.5° | 0.1° |
| C22 | C21 | C20 | H24 | 120.3° | 120.0° |
| C22 | C21 | C20 | H25 | 120.3° | 120.1° |
| C22 | C21 | C20 | N1 | 136.4° | 180.0° |
| C21 | C22 | N2 | H13 | 103.9° | 0.0° |
| C22 | C21 | H24 | H25 | 119.1° | 120.0° |
| C21 | C22 | H26 | H27 | 118.8° | 119.9° |
| O3 | C20 | C21 | N1 | 171.1° | 179.9° |
| O3 | C20 | N1 | C19 | 34.1° | 0.0° |
| O3 | C20 | N1 | H12 | 145.9° | 179.9° |
| O3 | C20 | C21 | H24 | 172.8° | 120.0° |
| O3 | C20 | C21 | H25 | 67.8° | 120.0° |
| C15 | C14 | C13 | H2 | 180.0° | 179.8° |
| C14 | C15 | C10 | H18 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | C10 | C9 | 179.3° | 179.9° |
| C14 | C15 | C10 | C11 | 0.8° | 0.1° |
| C15 | C14 | C13 | H11 | 179.8° | 179.9° |
| C13 | C14 | C15 | C10 | 0.1° | 0.0° |
| C14 | C13 | C12 | H11 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.2° | 0.1° |
| C14 | C13 | C12 | H10 | 179.8° | 179.9° |
| C13 | C14 | C15 | H18 | 179.9° | 180.0° |
| C15 | C10 | C9 | C11 | 180.0° | 179.9° |
| C15 | C10 | C11 | C12 | 1.1° | 0.2° |
| C15 | C10 | C9 | C8 | 42.9° | 89.9° |
| C10 | C15 | C14 | H2 | 179.9° | 179.8° |
| C15 | C10 | C11 | H5 | 178.9° | 180.0° |
| C15 | C10 | C9 | H8 | 78.0° | 150.1° |
| C15 | C10 | C9 | H9 | 163.7° | 30.1° |
| C13 | C12 | C11 | C10 | 0.8° | 0.2° |
| C13 | C12 | C11 | H10 | 180.0° | 179.8° |
| C12 | C13 | C14 | H2 | 179.8° | 179.8° |
| C13 | C12 | C11 | H5 | 179.1° | 180.0° |
| C21 | C20 | N1 | C19 | 136.8° | 179.9° |
| C21 | C20 | N1 | H12 | 43.1° | 0.0° |
| C20 | C21 | H24 | H25 | 119.1° | 120.0° |
| C20 | C21 | C22 | H26 | 154.7° | 59.9° |
| C20 | C21 | C22 | H27 | 86.1° | 60.0° |
| C20 | N1 | C19 | H12 | 180.0° | 179.9° |
| C20 | N1 | C19 | C18 | 57.5° | 180.0° |
| C20 | N1 | C19 | H22 | 178.2° | 60.1° |
| C20 | N1 | C19 | H23 | 63.2° | 60.0° |
| N1 | C20 | C21 | H24 | 16.0° | 60.0° |
| N1 | C20 | C21 | H25 | 103.3° | 59.9° |
| C9 | C10 | C11 | C12 | 178.9° | 180.0° |
| C10 | C9 | C8 | H8 | 120.9° | 120.0° |
| C10 | C9 | C8 | H9 | 120.9° | 120.0° |
| C10 | C9 | C8 | O1 | 134.2° | 180.0° |
| C9 | C10 | C11 | H5 | 1.1° | 0.2° |
| C10 | C9 | C8 | H6 | 14.2° | 60.0° |
| C10 | C9 | C8 | H7 | 105.8° | 60.0° |
| C10 | C9 | H8 | H9 | 117.4° | 120.0° |
| C9 | C10 | C15 | H18 | 0.7° | 0.1° |
| C10 | C11 | C12 | H5 | 180.0° | 179.8° |
| C11 | C10 | C9 | C8 | 137.2° | 89.9° |
| C11 | C10 | C9 | H8 | 102.0° | 30.1° |
| C11 | C10 | C9 | H9 | 16.3° | 150.1° |
| C10 | C11 | C12 | H10 | 179.1° | 180.0° |
| C11 | C10 | C15 | H18 | 179.2° | 179.9° |
| C11 | C12 | C13 | H11 | 179.8° | 180.0° |
| C9 | C8 | O1 | H6 | 120.0° | 120.0° |
| C9 | C8 | O1 | H7 | 120.0° | 120.0° |
| C9 | C8 | O1 | C7 | 91.5° | 180.0° |
| C9 | C8 | H6 | H7 | 120.0° | 120.0° |
| C8 | C9 | H8 | H9 | 117.3° | 120.0° |
| N1 | C19 | C18 | H22 | 120.7° | 120.0° |
| N1 | C19 | C18 | H23 | 120.7° | 120.0° |
| N1 | C19 | C18 | S2 | 169.3° | 180.0° |
| N1 | C19 | C18 | H20 | 48.1° | 60.0° |
| N1 | C19 | C18 | H21 | 69.4° | 60.0° |
| N1 | C19 | H22 | H23 | 117.8° | 120.1° |
| C19 | C18 | S2 | H20 | 121.3° | 120.0° |
| C19 | C18 | S2 | H21 | 121.3° | 120.0° |
| C19 | C18 | S2 | C17 | 31.3° | 180.0° |
| C18 | C19 | N1 | H12 | 122.5° | 0.0° |
| C19 | C18 | H20 | H21 | 116.0° | 120.0° |
| C18 | C19 | H22 | H23 | 117.8° | 120.0° |
| C18 | S2 | C17 | C2 | 136.1° | 180.0° |
| C18 | S2 | C17 | O2 | 37.7° | 0.0° |
| S2 | C18 | H20 | H21 | 115.9° | 120.0° |
| S2 | C18 | C19 | H22 | 69.9° | 60.0° |
| S2 | C18 | C19 | H23 | 48.6° | 60.0° |
| C8 | O1 | C7 | C6 | 58.5° | 0.0° |
| C8 | O1 | C7 | C16 | 123.4° | 180.0° |
| O1 | C8 | H6 | H7 | 120.0° | 120.0° |
| O1 | C8 | C9 | H8 | 104.9° | 60.0° |
| O1 | C8 | C9 | H9 | 13.4° | 60.0° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.1° |
| C5 | C6 | C7 | O1 | 178.3° | 180.0° |
| C5 | C6 | C7 | C16 | 0.2° | 0.0° |
| C6 | C5 | C4 | H1 | 179.5° | 179.7° |
| C4 | C5 | C6 | C7 | 0.4° | 0.1° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | C16 | 0.1° | 0.0° |
| C5 | C4 | C3 | S1 | 179.6° | 179.8° |
| C4 | C5 | C6 | H4 | 179.6° | 179.9° |
| C6 | C7 | O1 | C16 | 178.1° | 180.0° |
| C6 | C7 | C16 | C3 | 0.6° | 0.0° |
| C7 | C6 | C5 | H3 | 179.6° | 180.0° |
| C6 | C7 | C16 | H19 | 179.4° | 180.0° |
| S2 | C17 | C2 | S1 | 34.5° | 155.0° |
| S2 | C17 | C2 | O2 | 174.1° | 180.0° |
| S2 | C17 | C2 | C1 | 166.3° | 85.0° |
| S2 | C17 | C2 | H17 | 79.1° | 35.0° |
| C17 | S2 | C18 | H20 | 152.6° | 60.0° |
| C17 | S2 | C18 | H21 | 90.0° | 60.0° |
| C4 | C3 | C16 | C7 | 0.5° | 0.0° |
| C4 | C3 | C16 | S1 | 179.5° | 179.7° |
| C4 | C3 | S1 | C2 | 42.0° | 95.5° |
| C3 | C4 | C5 | H3 | 179.5° | 180.0° |
| C4 | C3 | C16 | H19 | 179.5° | 180.0° |
| O1 | C7 | C16 | C3 | 178.8° | 180.0° |
| O1 | C7 | C6 | H4 | 1.7° | 0.0° |
| C7 | O1 | C8 | H6 | 148.5° | 60.0° |
| C7 | O1 | C8 | H7 | 28.5° | 60.0° |
| O1 | C7 | C16 | H19 | 1.2° | 0.0° |
| C7 | C16 | C3 | H19 | 180.0° | 180.0° |
| C7 | C16 | C3 | S1 | 179.0° | 179.7° |
| C16 | C7 | C6 | H4 | 179.8° | 180.0° |
| C16 | C3 | S1 | C2 | 138.5° | 84.7° |
| C16 | C3 | C4 | H1 | 180.0° | 179.8° |
| C3 | S1 | C2 | C17 | 124.1° | 174.1° |
| C3 | S1 | C2 | C1 | 106.2° | 65.9° |
| S1 | C3 | C4 | H1 | 0.4° | 0.0° |
| C3 | S1 | C2 | H17 | 8.9° | 54.2° |
| S1 | C3 | C16 | H19 | 1.0° | 0.2° |
| S1 | C2 | C17 | C1 | 131.8° | 120.1° |
| S1 | C2 | C17 | H17 | 113.5° | 120.0° |
| S1 | C2 | C17 | O2 | 151.4° | 25.0° |
| S1 | C2 | C1 | H17 | 113.5° | 120.0° |
| S1 | C2 | C1 | H14 | 180.0° | 54.8° |
| S1 | C2 | C1 | H15 | 60.0° | 65.1° |
| S1 | C2 | C1 | H16 | 60.0° | 174.9° |
| C17 | C2 | C1 | H17 | 114.6° | 119.9° |
| C17 | C2 | C1 | H14 | 48.1° | 65.2° |
| C17 | C2 | C1 | H15 | 71.9° | 174.8° |
| C17 | C2 | C1 | H16 | 168.1° | 54.8° |
| O2 | C17 | C2 | C1 | 19.6° | 95.0° |
| O2 | C17 | C2 | H17 | 95.1° | 145.0° |
| C2 | C1 | H14 | H15 | 120.0° | 119.9° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| H1 | C4 | C5 | H3 | 0.5° | 0.2° |
| H2 | C14 | C13 | H11 | 0.2° | 0.3° |
| H2 | C14 | C15 | H18 | 0.2° | 0.2° |
| H3 | C5 | C6 | H4 | 0.4° | 0.1° |
| H5 | C11 | C12 | H10 | 0.9° | 0.2° |
| H6 | C8 | C9 | H8 | 135.1° | 60.0° |
| H6 | C8 | C9 | H9 | 106.6° | 180.0° |
| H7 | C8 | C9 | H8 | 15.1° | 180.0° |
| H7 | C8 | C9 | H9 | 133.3° | 60.0° |
| H10 | C12 | C13 | H11 | 0.2° | 0.2° |
| H12 | N1 | C19 | H22 | 1.8° | 120.0° |
| H12 | N1 | C19 | H23 | 116.8° | 119.9° |
| H13 | N2 | C22 | H26 | 135.8° | 120.0° |
| H13 | N2 | C22 | H27 | 16.5° | 120.0° |
| H14 | C1 | H15 | H16 | 120.0° | 120.1° |
| H14 | C1 | C2 | H17 | 66.5° | 174.9° |
| H15 | C1 | C2 | H17 | 173.5° | 54.9° |
| H16 | C1 | C2 | H17 | 53.5° | 65.1° |
| H20 | C18 | C19 | H22 | 168.8° | 60.0° |
| H20 | C18 | C19 | H23 | 72.6° | 180.0° |
| H21 | C18 | C19 | H22 | 51.3° | 179.9° |
| H21 | C18 | C19 | H23 | 169.9° | 60.0° |
| H24 | C21 | C22 | H26 | 34.4° | 60.0° |
| H24 | C21 | C22 | H27 | 153.6° | 180.0° |
| H25 | C21 | C22 | H26 | 85.0° | 180.0° |
| H25 | C21 | C22 | H27 | 34.2° | 60.1° |
| H28 | C24 | O5 | H29 | 5.8° | 180.0° |
| H30 | C26 | H31 | H32 | 120.0° | 119.9° |
| H33 | C27 | H34 | H35 | 120.0° | 120.0° |
| H40 | C29 | C30 | H42 | 170.7° | 174.4° |
| H41 | C29 | C30 | H42 | 50.2° | 65.6° |
| H42 | C30 | C38 | H50 | 99.9° | 123.8° |
| H43 | C31 | C37 | H48 | 167.5° | 160.0° |
| H48 | C37 | O14 | H49 | 60.8° | 62.2° |
| H48 | C37 | C38 | H50 | 41.2° | 21.3° |
