A1JJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C7 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C8 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | S1 | sing | 1.76Å | 1.79Å | |
| S1 | C13 | sing | 1.81Å | 1.83Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | O3 | doub | 1.21Å | 1.23Å | |
| C15 | S2 | sing | 1.71Å | 1.78Å | |
| S2 | C16 | sing | 1.81Å | 1.83Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | N1 | sing | 1.46Å | 1.47Å | |
| N1 | C18 | sing | 1.35Å | 1.34Å | |
| C18 | O4 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C21 | sing | 1.35Å | 1.34Å | |
| C21 | O5 | doub | 1.21Å | 1.24Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | O6 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | O7 | sing | 1.43Å | 1.43Å | |
| O7 | P1 | sing | 1.61Å | 1.60Å | |
| P1 | O8 | doub | 1.48Å | 1.48Å | |
| P1 | O9 | sing | 1.61Å | 1.49Å | |
| P1 | O10 | sing | 1.61Å | 1.61Å | |
| O10 | P2 | sing | 1.61Å | 1.61Å | |
| P2 | O11 | doub | 1.48Å | 1.49Å | |
| P2 | O12 | sing | 1.61Å | 1.49Å | |
| P2 | O13 | sing | 1.61Å | 1.60Å | |
| O13 | C27 | sing | 1.43Å | 1.46Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | O14 | sing | 1.44Å | 1.44Å | |
| O14 | C29 | sing | 1.44Å | 1.43Å | |
| C29 | N3 | sing | 1.46Å | 1.46Å | |
| N3 | C30 | sing | 1.36Å | 1.37Å | Aromatic |
| C30 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| N4 | C31 | sing | 1.35Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.41Å | 1.40Å | Aromatic |
| C32 | N5 | sing | 1.38Å | 1.33Å | |
| C32 | N6 | doub | 1.33Å | 1.36Å | Aromatic |
| N6 | C33 | sing | 1.32Å | 1.34Å | Aromatic |
| C33 | N7 | doub | 1.32Å | 1.33Å | Aromatic |
| N7 | C34 | sing | 1.33Å | 1.35Å | Aromatic |
| C29 | C35 | sing | 1.55Å | 1.52Å | |
| C35 | O15 | sing | 1.43Å | 1.41Å | |
| C35 | C36 | sing | 1.55Å | 1.54Å | |
| C36 | O16 | sing | 1.43Å | 1.42Å | |
| O16 | P3 | sing | 1.61Å | 1.62Å | |
| P3 | O17 | doub | 1.48Å | 1.51Å | |
| P3 | O18 | sing | 1.61Å | 1.51Å | |
| P3 | O19 | sing | 1.61Å | 1.52Å | |
| C12 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C38 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C37 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C36 | sing | 1.54Å | 1.54Å | |
| N3 | C34 | sing | 1.37Å | 1.37Å | Aromatic |
| C31 | C34 | doub | 1.41Å | 1.38Å | Aromatic |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| O6 | H27 | sing | 0.97Å | 0.95Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| O9 | H49 | sing | 0.97Å | 0.95Å | |
| O12 | H50 | sing | 0.97Å | 0.95Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.08Å | 1.08Å | |
| N5 | H41 | sing | 0.97Å | 1.00Å | |
| N5 | H42 | sing | 0.97Å | 1.00Å | |
| C33 | H43 | sing | 1.08Å | 1.08Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| O15 | H45 | sing | 0.97Å | 0.95Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| O18 | H51 | sing | 0.97Å | 0.95Å | |
| O19 | H52 | sing | 0.97Å | 0.95Å | |
| C37 | H47 | sing | 1.08Å | 1.08Å | |
| C38 | H48 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 117.4° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | C3 | 124.3° | 120.0° |
| O1 | C2 | C38 | 115.4° | 120.1° |
| C2 | C3 | C4 | 119.2° | 119.9° |
| C3 | C2 | C38 | 120.4° | 119.9° |
| C2 | C3 | H4 | 120.4° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.1° |
| C3 | C4 | H5 | 119.8° | 120.0° |
| C4 | C3 | H4 | 120.4° | 120.1° |
| C4 | C5 | C6 | 120.3° | 120.1° |
| C5 | C4 | H5 | 119.9° | 119.9° |
| C4 | C5 | H6 | 119.9° | 119.9° |
| C5 | C6 | C7 | 122.9° | 119.9° |
| C5 | C6 | C38 | 119.6° | 120.1° |
| C6 | C5 | H6 | 119.9° | 120.0° |
| C6 | C7 | O2 | 110.0° | 109.4° |
| C7 | C6 | C38 | 117.4° | 120.0° |
| C6 | C7 | H7 | 109.3° | 109.5° |
| C6 | C7 | H8 | 109.3° | 109.4° |
| C7 | O2 | C8 | 116.7° | 117.0° |
| O2 | C7 | H7 | 109.3° | 109.5° |
| O2 | C7 | H8 | 109.3° | 109.5° |
| O2 | C8 | C9 | 117.1° | 120.0° |
| O2 | C8 | C37 | 122.2° | 120.0° |
| C8 | C9 | C10 | 118.9° | 120.1° |
| C9 | C8 | C37 | 120.7° | 119.9° |
| C8 | C9 | H9 | 120.5° | 119.9° |
| C9 | C10 | C11 | 121.2° | 120.2° |
| C10 | C9 | H9 | 120.5° | 120.0° |
| C9 | C10 | H10 | 119.4° | 119.9° |
| C10 | C11 | C12 | 120.3° | 120.1° |
| C10 | C11 | H11 | 119.9° | 120.0° |
| C11 | C10 | H10 | 119.4° | 119.9° |
| C11 | C12 | S1 | 120.5° | 120.1° |
| C11 | C12 | C37 | 118.6° | 119.9° |
| C12 | C11 | H11 | 119.9° | 120.0° |
| C12 | S1 | C13 | 107.2° | 103.0° |
| S1 | C12 | C37 | 120.9° | 120.1° |
| S1 | C13 | C14 | 115.1° | 109.5° |
| S1 | C13 | C15 | 113.1° | 109.4° |
| S1 | C13 | H12 | 104.1° | 109.5° |
| C14 | C13 | C15 | 109.7° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H15 | 109.4° | 109.5° |
| C14 | C13 | H12 | 107.1° | 109.5° |
| C13 | C15 | O3 | 121.5° | 120.0° |
| C13 | C15 | S2 | 115.8° | 120.0° |
| C15 | C13 | H12 | 107.1° | 109.5° |
| O3 | C15 | S2 | 122.5° | 120.0° |
| C15 | S2 | C16 | 99.0° | 100.0° |
| S2 | C16 | C17 | 113.6° | 109.5° |
| S2 | C16 | H16 | 108.4° | 109.4° |
| S2 | C16 | H17 | 108.4° | 109.5° |
| C16 | C17 | N1 | 112.6° | 109.5° |
| C17 | C16 | H16 | 108.4° | 109.4° |
| C17 | C16 | H17 | 108.4° | 109.5° |
| C16 | C17 | H18 | 108.7° | 109.4° |
| C16 | C17 | H19 | 108.7° | 109.5° |
| C17 | N1 | C18 | 121.4° | 120.0° |
| C17 | N1 | H20 | 119.3° | 120.0° |
| N1 | C17 | H18 | 108.7° | 109.4° |
| N1 | C17 | H19 | 108.7° | 109.5° |
| N1 | C18 | O4 | 121.4° | 120.0° |
| N1 | C18 | C19 | 117.0° | 120.0° |
| C18 | N1 | H20 | 119.3° | 120.0° |
| O4 | C18 | C19 | 121.6° | 120.0° |
| C18 | C19 | C20 | 112.7° | 109.5° |
| C18 | C19 | H21 | 108.7° | 109.5° |
| C18 | C19 | H22 | 108.6° | 109.5° |
| C19 | C20 | N2 | 112.8° | 109.5° |
| C20 | C19 | H21 | 108.7° | 109.5° |
| C20 | C19 | H22 | 108.7° | 109.5° |
| C19 | C20 | H23 | 108.6° | 109.5° |
| C19 | C20 | H24 | 108.6° | 109.4° |
| C20 | N2 | C21 | 123.5° | 120.0° |
| C20 | N2 | H25 | 118.3° | 120.0° |
| N2 | C20 | H23 | 108.6° | 109.5° |
| N2 | C20 | H24 | 108.6° | 109.5° |
| N2 | C21 | O5 | 123.7° | 120.0° |
| N2 | C21 | C22 | 116.6° | 120.0° |
| C21 | N2 | H25 | 118.3° | 120.0° |
| O5 | C21 | C22 | 119.7° | 120.0° |
| C21 | C22 | O6 | 113.9° | 109.5° |
| C21 | C22 | C23 | 109.0° | 109.5° |
| C21 | C22 | H26 | 107.4° | 109.5° |
| O6 | C22 | C23 | 110.8° | 109.4° |
| O6 | C22 | H26 | 108.4° | 109.5° |
| C22 | O6 | H27 | 109.5° | 114.0° |
| C22 | C23 | C24 | 109.7° | 109.5° |
| C22 | C23 | C25 | 113.4° | 109.5° |
| C22 | C23 | C26 | 110.6° | 109.4° |
| C23 | C22 | H26 | 106.9° | 109.5° |
| C24 | C23 | C25 | 110.0° | 109.5° |
| C24 | C23 | C26 | 115.0° | 109.5° |
| C23 | C24 | H28 | 109.5° | 109.5° |
| C23 | C24 | H29 | 109.4° | 109.5° |
| C23 | C24 | H30 | 109.5° | 109.5° |
| C25 | C23 | C26 | 97.8° | 109.5° |
| C23 | C25 | H31 | 109.5° | 109.5° |
| C23 | C25 | H32 | 109.5° | 109.5° |
| C23 | C25 | H33 | 109.5° | 109.5° |
| C23 | C26 | O7 | 111.3° | 109.5° |
| C23 | C26 | H34 | 109.0° | 109.5° |
| C23 | C26 | H35 | 109.0° | 109.5° |
| C26 | O7 | P1 | 124.5° | 123.0° |
| O7 | C26 | H34 | 109.0° | 109.5° |
| O7 | C26 | H35 | 109.0° | 109.5° |
| O7 | P1 | O8 | 99.3° | 109.5° |
| O7 | P1 | O9 | 116.0° | 109.5° |
| O7 | P1 | O10 | 95.5° | 109.5° |
| O8 | P1 | O9 | 131.4° | 109.5° |
| O8 | P1 | O10 | 103.0° | 109.5° |
| O9 | P1 | O10 | 105.5° | 109.4° |
| P1 | O9 | H49 | 109.5° | 114.0° |
| P1 | O10 | P2 | 127.9° | 134.0° |
| O10 | P2 | O11 | 119.1° | 109.5° |
| O10 | P2 | O12 | 106.6° | 109.4° |
| O10 | P2 | O13 | 94.8° | 109.5° |
| O11 | P2 | O12 | 116.9° | 109.5° |
| O11 | P2 | O13 | 107.2° | 109.4° |
| O12 | P2 | O13 | 110.0° | 109.4° |
| P2 | O12 | H50 | 109.5° | 114.0° |
| P2 | O13 | C27 | 119.5° | 123.0° |
| O13 | C27 | C28 | 106.7° | 109.4° |
| O13 | C27 | H36 | 110.2° | 109.5° |
| O13 | C27 | H37 | 110.2° | 109.4° |
| C27 | C28 | O14 | 110.4° | 109.9° |
| C27 | C28 | C36 | 117.0° | 109.8° |
| C28 | C27 | H36 | 110.2° | 109.5° |
| C28 | C27 | H37 | 110.2° | 109.5° |
| C27 | C28 | H38 | 108.0° | 109.9° |
| C28 | O14 | C29 | 110.3° | 107.0° |
| O14 | C28 | C36 | 104.7° | 107.3° |
| O14 | C28 | H38 | 108.9° | 109.9° |
| O14 | C29 | N3 | 106.8° | 110.7° |
| O14 | C29 | C35 | 104.1° | 103.5° |
| O14 | C29 | H39 | 109.7° | 110.6° |
| C29 | N3 | C30 | 126.6° | 126.2° |
| N3 | C29 | C35 | 118.1° | 110.6° |
| C29 | N3 | C34 | 127.3° | 126.3° |
| N3 | C29 | H39 | 109.3° | 110.6° |
| N3 | C30 | N4 | 113.7° | 109.9° |
| C30 | N3 | C34 | 105.8° | 107.5° |
| N3 | C30 | H40 | 123.1° | 125.1° |
| C30 | N4 | C31 | 104.0° | 109.4° |
| N4 | C30 | H40 | 123.1° | 125.0° |
| N4 | C31 | C32 | 131.7° | 134.7° |
| N4 | C31 | C34 | 110.9° | 107.2° |
| C31 | C32 | N5 | 123.4° | 120.8° |
| C31 | C32 | N6 | 117.3° | 118.4° |
| C32 | C31 | C34 | 117.4° | 118.1° |
| N5 | C32 | N6 | 119.1° | 120.8° |
| C32 | N5 | H41 | 109.5° | 120.0° |
| C32 | N5 | H42 | 109.4° | 120.0° |
| C32 | N6 | C33 | 118.7° | 121.2° |
| N6 | C33 | N7 | 129.0° | 122.4° |
| N6 | C33 | H43 | 115.5° | 118.7° |
| C33 | N7 | C34 | 111.0° | 120.6° |
| N7 | C33 | H43 | 115.5° | 118.8° |
| N7 | C34 | N3 | 127.8° | 134.9° |
| N7 | C34 | C31 | 126.5° | 119.1° |
| C29 | C35 | O15 | 110.7° | 110.9° |
| C29 | C35 | C36 | 99.4° | 102.1° |
| C35 | C29 | H39 | 108.5° | 110.7° |
| C29 | C35 | H44 | 109.4° | 110.9° |
| O15 | C35 | C36 | 116.5° | 110.9° |
| O15 | C35 | H44 | 111.0° | 110.8° |
| C35 | O15 | H45 | 109.5° | 114.0° |
| C35 | C36 | O16 | 113.3° | 110.5° |
| C35 | C36 | C28 | 102.6° | 104.2° |
| C36 | C35 | H44 | 109.2° | 110.9° |
| C35 | C36 | H46 | 110.8° | 110.5° |
| C36 | O16 | P3 | 126.5° | 123.0° |
| O16 | C36 | C28 | 106.3° | 110.5° |
| O16 | C36 | H46 | 112.6° | 110.5° |
| O16 | P3 | O17 | 99.3° | 109.4° |
| O16 | P3 | O18 | 101.8° | 109.5° |
| O16 | P3 | O19 | 114.9° | 109.5° |
| O17 | P3 | O18 | 116.9° | 109.5° |
| O17 | P3 | O19 | 109.7° | 109.5° |
| O18 | P3 | O19 | 113.3° | 109.5° |
| P3 | O18 | H51 | 109.5° | 114.0° |
| P3 | O19 | H52 | 109.5° | 114.1° |
| C12 | C37 | C8 | 120.3° | 119.9° |
| C12 | C37 | H47 | 119.9° | 120.1° |
| C6 | C38 | C2 | 120.2° | 119.9° |
| C6 | C38 | H48 | 119.9° | 120.0° |
| C2 | C38 | H48 | 119.9° | 120.0° |
| C8 | C37 | H47 | 119.8° | 120.0° |
| C36 | C28 | H38 | 107.7° | 110.0° |
| C28 | C36 | H46 | 110.7° | 110.5° |
| N3 | C34 | C31 | 105.7° | 106.0° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H15 | 109.4° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.4° |
| H23 | C20 | H24 | 109.5° | 109.4° |
| H28 | C24 | H29 | 109.5° | 109.5° |
| H28 | C24 | H30 | 109.5° | 109.4° |
| H29 | C24 | H30 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.5° |
| H31 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.4° | 109.4° |
| H34 | C26 | H35 | 109.5° | 109.5° |
| H36 | C27 | H37 | 109.5° | 109.5° |
| H41 | N5 | H42 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 3.1° | 0.1° |
| C1 | O1 | C2 | C38 | 176.4° | 179.4° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C2 | C3 | C38 | 179.5° | 179.4° |
| O1 | C2 | C3 | C4 | 179.3° | 180.0° |
| O1 | C2 | C38 | C6 | 178.6° | 179.7° |
| O1 | C2 | C3 | H4 | 0.7° | 0.1° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C38 | H48 | 1.4° | 0.3° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C2 | C38 | C6 | 0.9° | 0.9° |
| C2 | C3 | C4 | H5 | 179.5° | 179.7° |
| C3 | C2 | C38 | H48 | 179.1° | 179.7° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.4° | 0.2° |
| C4 | C3 | C2 | C38 | 0.2° | 0.6° |
| C3 | C4 | C5 | H6 | 179.6° | 179.8° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C4 | C5 | C6 | C38 | 0.3° | 0.0° |
| C5 | C4 | C3 | H4 | 179.6° | 180.0° |
| C5 | C6 | C7 | C38 | 179.8° | 179.9° |
| C5 | C6 | C7 | O2 | 22.1° | 90.0° |
| C5 | C6 | C38 | C2 | 1.0° | 0.6° |
| C6 | C5 | C4 | H5 | 179.6° | 180.0° |
| C5 | C6 | C7 | H7 | 142.2° | 150.0° |
| C5 | C6 | C7 | H8 | 97.9° | 30.0° |
| C5 | C6 | C38 | H48 | 179.0° | 180.0° |
| C6 | C7 | O2 | H7 | 120.1° | 120.0° |
| C6 | C7 | O2 | H8 | 120.1° | 119.9° |
| C6 | C7 | O2 | C8 | 169.2° | 180.0° |
| C7 | C6 | C38 | C2 | 179.2° | 179.5° |
| C7 | C6 | C5 | H6 | 0.1° | 0.0° |
| C6 | C7 | H7 | H8 | 119.8° | 120.0° |
| C7 | C6 | C38 | H48 | 0.8° | 0.1° |
| C7 | O2 | C8 | C9 | 153.5° | 0.1° |
| O2 | C7 | C6 | C38 | 157.7° | 90.0° |
| C7 | O2 | C8 | C37 | 26.3° | 179.1° |
| O2 | C7 | H7 | H8 | 119.8° | 120.1° |
| O2 | C8 | C9 | C37 | 179.8° | 179.2° |
| O2 | C8 | C9 | C10 | 179.4° | 180.0° |
| O2 | C8 | C37 | C12 | 179.6° | 179.8° |
| C8 | O2 | C7 | H7 | 49.1° | 60.0° |
| C8 | O2 | C7 | H8 | 70.8° | 60.1° |
| O2 | C8 | C9 | H9 | 0.7° | 0.7° |
| O2 | C8 | C37 | H47 | 0.3° | 0.9° |
| C8 | C9 | C10 | H9 | 180.0° | 179.3° |
| C8 | C9 | C10 | C11 | 0.9° | 0.5° |
| C9 | C8 | C37 | C12 | 0.1° | 0.6° |
| C8 | C9 | C10 | H10 | 179.1° | 179.4° |
| C9 | C8 | C37 | H47 | 179.9° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C8 | C37 | 0.9° | 0.8° |
| C9 | C10 | C11 | H11 | 179.9° | 179.8° |
| C10 | C11 | C12 | H11 | 180.0° | 179.7° |
| C10 | C11 | C12 | S1 | 179.7° | 179.7° |
| C10 | C11 | C12 | C37 | 1.1° | 0.3° |
| C11 | C10 | C9 | H9 | 179.1° | 179.8° |
| C11 | C12 | S1 | C37 | 178.5° | 179.9° |
| C11 | C12 | S1 | C13 | 32.5° | 7.0° |
| C11 | C12 | C37 | C8 | 1.1° | 0.1° |
| C12 | C11 | C10 | H10 | 179.9° | 179.9° |
| C11 | C12 | C37 | H47 | 178.9° | 179.4° |
| C12 | S1 | C13 | C14 | 112.6° | 171.9° |
| C12 | S1 | C13 | C15 | 120.2° | 68.1° |
| S1 | C12 | C37 | C8 | 179.6° | 180.0° |
| S1 | C12 | C11 | H11 | 0.3° | 0.0° |
| C12 | S1 | C13 | H12 | 4.3° | 51.9° |
| S1 | C12 | C37 | H47 | 0.4° | 0.6° |
| S1 | C13 | C14 | C15 | 128.9° | 120.0° |
| S1 | C13 | C14 | H12 | 115.2° | 120.0° |
| S1 | C13 | C15 | H12 | 114.2° | 120.0° |
| S1 | C13 | C15 | O3 | 146.0° | 24.9° |
| S1 | C13 | C15 | S2 | 39.4° | 155.0° |
| C13 | S1 | C12 | C37 | 146.0° | 173.1° |
| S1 | C13 | C14 | H13 | 180.0° | 55.1° |
| S1 | C13 | C14 | H14 | 60.0° | 175.1° |
| S1 | C13 | C14 | H15 | 60.0° | 64.9° |
| C14 | C13 | C15 | H12 | 115.9° | 120.1° |
| C14 | C13 | C15 | O3 | 16.0° | 95.0° |
| C14 | C13 | C15 | S2 | 169.4° | 85.1° |
| C13 | C14 | H13 | H14 | 120.0° | 120.0° |
| C13 | C14 | H13 | H15 | 120.0° | 120.0° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C13 | C15 | O3 | S2 | 174.2° | 179.9° |
| C13 | C15 | S2 | C16 | 165.1° | 180.0° |
| C15 | C13 | C14 | H13 | 51.2° | 175.1° |
| C15 | C13 | C14 | H14 | 68.9° | 64.9° |
| C15 | C13 | C14 | H15 | 171.1° | 55.1° |
| O3 | C15 | S2 | C16 | 9.4° | 0.1° |
| O3 | C15 | C13 | H12 | 99.9° | 144.9° |
| C15 | S2 | C16 | C17 | 94.7° | 180.0° |
| S2 | C15 | C13 | H12 | 74.7° | 35.0° |
| C15 | S2 | C16 | H16 | 144.7° | 60.1° |
| C15 | S2 | C16 | H17 | 26.0° | 60.0° |
| S2 | C16 | C17 | H16 | 120.6° | 120.0° |
| S2 | C16 | C17 | H17 | 120.6° | 120.0° |
| S2 | C16 | C17 | N1 | 174.3° | 179.9° |
| S2 | C16 | H16 | H17 | 118.1° | 120.0° |
| S2 | C16 | C17 | H18 | 65.2° | 60.0° |
| S2 | C16 | C17 | H19 | 53.8° | 60.0° |
| C16 | C17 | N1 | H18 | 120.5° | 120.0° |
| C16 | C17 | N1 | H19 | 120.5° | 120.1° |
| C16 | C17 | N1 | C18 | 70.1° | 179.9° |
| C16 | C17 | N1 | H20 | 109.9° | 0.1° |
| C17 | C16 | H16 | H17 | 118.1° | 120.0° |
| C16 | C17 | H18 | H19 | 118.6° | 120.0° |
| C17 | N1 | C18 | H20 | 180.0° | 179.9° |
| C17 | N1 | C18 | O4 | 3.1° | 0.2° |
| C17 | N1 | C18 | C19 | 175.6° | 180.0° |
| N1 | C17 | C16 | H16 | 53.7° | 60.0° |
| N1 | C17 | C16 | H17 | 65.1° | 60.0° |
| N1 | C17 | H18 | H19 | 118.6° | 120.0° |
| N1 | C18 | O4 | C19 | 178.6° | 179.9° |
| N1 | C18 | C19 | C20 | 141.3° | 179.9° |
| C18 | N1 | C17 | H18 | 169.4° | 60.1° |
| C18 | N1 | C17 | H19 | 50.4° | 59.9° |
| N1 | C18 | C19 | H21 | 98.3° | 59.9° |
| N1 | C18 | C19 | H22 | 20.8° | 60.0° |
| O4 | C18 | C19 | C20 | 40.1° | 0.0° |
| O4 | C18 | N1 | H20 | 176.9° | 180.0° |
| O4 | C18 | C19 | H21 | 80.4° | 120.0° |
| O4 | C18 | C19 | H22 | 160.6° | 120.1° |
| C18 | C19 | C20 | H21 | 120.5° | 120.0° |
| C18 | C19 | C20 | H22 | 120.5° | 120.0° |
| C18 | C19 | C20 | N2 | 36.5° | 180.0° |
| C19 | C18 | N1 | H20 | 4.4° | 0.1° |
| C18 | C19 | H21 | H22 | 118.5° | 119.9° |
| C18 | C19 | C20 | H23 | 84.0° | 60.0° |
| C18 | C19 | C20 | H24 | 157.0° | 60.0° |
| C19 | C20 | N2 | H23 | 120.5° | 120.0° |
| C19 | C20 | N2 | H24 | 120.5° | 120.0° |
| C19 | C20 | N2 | C21 | 74.5° | 180.0° |
| C19 | C20 | N2 | H25 | 105.4° | 0.0° |
| C20 | C19 | H21 | H22 | 118.6° | 120.0° |
| C19 | C20 | H23 | H24 | 118.4° | 120.0° |
| C20 | N2 | C21 | H25 | 180.0° | 180.0° |
| C20 | N2 | C21 | O5 | 0.1° | 4.8° |
| C20 | N2 | C21 | C22 | 179.3° | 175.3° |
| N2 | C20 | C19 | H21 | 157.0° | 60.0° |
| N2 | C20 | C19 | H22 | 84.0° | 60.0° |
| N2 | C20 | H23 | H24 | 118.5° | 120.0° |
| N2 | C21 | O5 | C22 | 179.4° | 179.9° |
| N2 | C21 | C22 | O6 | 4.2° | 7.2° |
| N2 | C21 | C22 | C23 | 120.1° | 112.7° |
| C21 | N2 | C20 | H23 | 165.0° | 60.0° |
| C21 | N2 | C20 | H24 | 45.9° | 60.0° |
| N2 | C21 | C22 | H26 | 124.3° | 127.3° |
| O5 | C21 | C22 | O6 | 175.2° | 172.7° |
| O5 | C21 | C22 | C23 | 60.5° | 67.3° |
| O5 | C21 | N2 | H25 | 179.9° | 175.2° |
| O5 | C21 | C22 | H26 | 55.1° | 52.7° |
| C21 | C22 | O6 | C23 | 123.4° | 120.0° |
| C21 | C22 | O6 | H26 | 119.5° | 120.1° |
| C21 | C22 | C23 | H26 | 115.8° | 120.0° |
| C21 | C22 | C23 | C24 | 90.1° | 61.1° |
| C21 | C22 | C23 | C25 | 33.3° | 58.9° |
| C21 | C22 | C23 | C26 | 142.0° | 178.9° |
| C22 | C21 | N2 | H25 | 0.7° | 4.7° |
| C21 | C22 | O6 | H27 | 180.0° | 59.9° |
| O6 | C22 | C23 | H26 | 118.0° | 120.0° |
| O6 | C22 | C23 | C24 | 36.0° | 178.9° |
| O6 | C22 | C23 | C25 | 159.4° | 61.1° |
| O6 | C22 | C23 | C26 | 91.9° | 58.9° |
| C22 | C23 | C24 | C25 | 125.4° | 120.0° |
| C22 | C23 | C24 | C26 | 125.4° | 120.0° |
| C22 | C23 | C25 | C26 | 116.5° | 120.0° |
| C22 | C23 | C26 | O7 | 63.2° | 180.0° |
| C23 | C22 | O6 | H27 | 56.7° | 60.1° |
| C22 | C23 | C24 | H28 | 180.0° | 68.1° |
| C22 | C23 | C24 | H29 | 60.0° | 171.9° |
| C22 | C23 | C24 | H30 | 60.0° | 51.8° |
| C22 | C23 | C25 | H31 | 180.0° | 60.0° |
| C22 | C23 | C25 | H32 | 60.0° | 180.0° |
| C22 | C23 | C25 | H33 | 60.0° | 60.0° |
| C22 | C23 | C26 | H34 | 57.1° | 60.0° |
| C22 | C23 | C26 | H35 | 176.5° | 60.0° |
| C24 | C23 | C25 | C26 | 120.3° | 120.0° |
| C24 | C23 | C26 | O7 | 61.7° | 60.0° |
| C24 | C23 | C22 | H26 | 154.0° | 58.9° |
| C23 | C24 | H28 | H29 | 120.0° | 120.1° |
| C23 | C24 | H28 | H30 | 120.0° | 120.0° |
| C23 | C24 | H29 | H30 | 120.0° | 120.0° |
| C24 | C23 | C25 | H31 | 56.8° | 180.0° |
| C24 | C23 | C25 | H32 | 176.8° | 59.9° |
| C24 | C23 | C25 | H33 | 63.3° | 60.0° |
| C24 | C23 | C26 | H34 | 178.0° | 180.0° |
| C24 | C23 | C26 | H35 | 58.6° | 60.0° |
| C25 | C23 | C26 | O7 | 178.1° | 60.0° |
| C25 | C23 | C22 | H26 | 82.6° | 178.9° |
| C25 | C23 | C24 | H28 | 54.6° | 52.0° |
| C25 | C23 | C24 | H29 | 65.4° | 68.1° |
| C25 | C23 | C24 | H30 | 174.6° | 171.9° |
| C23 | C25 | H31 | H32 | 120.0° | 120.0° |
| C23 | C25 | H31 | H33 | 120.0° | 120.0° |
| C23 | C25 | H32 | H33 | 120.0° | 120.0° |
| C25 | C23 | C26 | H34 | 61.6° | 60.0° |
| C25 | C23 | C26 | H35 | 57.8° | 180.0° |
| C23 | C26 | O7 | H34 | 120.3° | 120.0° |
| C23 | C26 | O7 | H35 | 120.3° | 120.0° |
| C23 | C26 | O7 | P1 | 147.1° | 180.0° |
| C26 | C23 | C22 | H26 | 26.1° | 61.1° |
| C26 | C23 | C24 | H28 | 54.6° | 172.0° |
| C26 | C23 | C24 | H29 | 174.6° | 51.9° |
| C26 | C23 | C24 | H30 | 65.4° | 68.1° |
| C26 | C23 | C25 | H31 | 63.5° | 60.0° |
| C26 | C23 | C25 | H32 | 56.5° | 60.0° |
| C26 | C23 | C25 | H33 | 176.4° | 180.0° |
| C23 | C26 | H34 | H35 | 119.2° | 120.0° |
| C26 | O7 | P1 | O8 | 133.3° | 55.0° |
| C26 | O7 | P1 | O9 | 12.3° | 65.0° |
| C26 | O7 | P1 | O10 | 122.5° | 175.0° |
| O7 | C26 | H34 | H35 | 119.2° | 120.0° |
| O7 | P1 | O8 | O9 | 137.4° | 120.0° |
| O7 | P1 | O8 | O10 | 97.9° | 120.0° |
| O7 | P1 | O9 | O10 | 104.2° | 120.0° |
| O7 | P1 | O10 | P2 | 97.2° | 159.9° |
| P1 | O7 | C26 | H34 | 26.8° | 60.0° |
| P1 | O7 | C26 | H35 | 92.6° | 60.0° |
| O7 | P1 | O9 | H49 | 132.0° | 60.0° |
| O8 | P1 | O9 | O10 | 123.7° | 120.0° |
| O8 | P1 | O10 | P2 | 161.9° | 39.9° |
| O8 | P1 | O9 | H49 | 0.0° | 180.0° |
| O9 | P1 | O10 | P2 | 21.7° | 80.1° |
| P1 | O10 | P2 | O11 | 10.6° | 44.9° |
| P1 | O10 | P2 | O12 | 124.2° | 75.1° |
| P1 | O10 | P2 | O13 | 123.3° | 164.9° |
| O10 | P1 | O9 | H49 | 123.8° | 60.0° |
| O10 | P2 | O11 | O12 | 130.3° | 120.0° |
| O10 | P2 | O11 | O13 | 105.8° | 120.0° |
| O10 | P2 | O12 | O13 | 101.6° | 120.0° |
| O10 | P2 | O13 | C27 | 62.6° | 175.1° |
| O10 | P2 | O12 | H50 | 136.0° | 59.9° |
| O11 | P2 | O12 | O13 | 122.5° | 120.0° |
| O11 | P2 | O13 | C27 | 175.0° | 55.0° |
| O11 | P2 | O12 | H50 | 0.0° | 180.0° |
| O12 | P2 | O13 | C27 | 46.9° | 65.0° |
| P2 | O13 | C27 | C28 | 160.6° | 180.0° |
| O13 | P2 | O12 | H50 | 122.5° | 60.0° |
| P2 | O13 | C27 | H36 | 41.1° | 60.0° |
| P2 | O13 | C27 | H37 | 79.8° | 60.0° |
| O13 | C27 | C28 | H36 | 119.6° | 120.0° |
| O13 | C27 | C28 | H37 | 119.6° | 119.9° |
| O13 | C27 | C28 | O14 | 177.5° | 66.5° |
| O13 | C27 | C28 | C36 | 63.0° | 175.7° |
| O13 | C27 | H36 | H37 | 121.3° | 120.0° |
| O13 | C27 | C28 | H38 | 58.6° | 54.6° |
| C27 | C28 | O14 | C36 | 126.8° | 119.4° |
| C27 | C28 | O14 | H38 | 118.3° | 121.1° |
| C27 | C28 | O14 | C29 | 127.7° | 145.9° |
| C27 | C28 | C36 | C35 | 97.3° | 121.4° |
| C27 | C28 | C36 | O16 | 143.5° | 119.9° |
| C27 | C28 | C36 | H38 | 121.7° | 121.1° |
| C28 | C27 | H36 | H37 | 121.3° | 120.1° |
| C27 | C28 | C36 | H46 | 20.9° | 2.7° |
| C28 | O14 | C29 | N3 | 153.0° | 158.6° |
| C28 | O14 | C29 | C35 | 27.3° | 40.1° |
| O14 | C28 | C36 | C35 | 25.3° | 2.0° |
| O14 | C28 | C36 | O16 | 93.9° | 120.7° |
| O14 | C28 | C36 | H38 | 115.7° | 119.5° |
| O14 | C28 | C27 | H36 | 57.9° | 53.5° |
| O14 | C28 | C27 | H37 | 63.0° | 173.6° |
| C28 | O14 | C29 | H39 | 88.7° | 78.5° |
| O14 | C28 | C36 | H46 | 143.5° | 116.7° |
| O14 | C29 | N3 | C35 | 116.8° | 114.1° |
| O14 | C29 | N3 | H39 | 118.6° | 122.9° |
| O14 | C29 | N3 | C30 | 46.4° | 23.6° |
| O14 | C29 | C35 | H39 | 116.8° | 118.5° |
| O14 | C29 | C35 | O15 | 164.4° | 155.2° |
| O14 | C29 | C35 | C36 | 41.3° | 37.0° |
| C29 | O14 | C28 | C36 | 1.0° | 26.5° |
| O14 | C29 | N3 | C34 | 126.0° | 156.8° |
| C29 | O14 | C28 | H38 | 113.9° | 93.0° |
| O14 | C29 | C35 | H44 | 73.0° | 81.2° |
| C29 | N3 | C30 | C34 | 173.7° | 179.7° |
| C29 | N3 | C30 | N4 | 175.3° | 179.7° |
| C29 | N3 | C34 | N7 | 5.7° | 0.3° |
| N3 | C29 | C35 | H39 | 125.0° | 122.9° |
| N3 | C29 | C35 | O15 | 77.4° | 86.3° |
| N3 | C29 | C35 | C36 | 159.5° | 155.5° |
| C29 | N3 | C34 | C31 | 174.6° | 179.7° |
| C29 | N3 | C30 | H40 | 4.7° | 0.3° |
| N3 | C29 | C35 | H44 | 45.2° | 37.3° |
| N3 | C30 | N4 | H40 | 180.0° | 180.0° |
| N3 | C30 | N4 | C31 | 1.5° | 0.0° |
| C30 | N3 | C34 | N7 | 179.3° | 180.0° |
| C30 | N3 | C29 | C35 | 70.4° | 90.5° |
| C30 | N3 | C34 | C31 | 1.0° | 0.0° |
| C30 | N3 | C29 | H39 | 165.0° | 146.5° |
| C30 | N4 | C31 | C32 | 179.3° | 180.0° |
| N4 | C30 | N3 | C34 | 1.6° | 0.0° |
| C30 | N4 | C31 | C34 | 0.8° | 0.0° |
| N4 | C31 | C32 | C34 | 179.9° | 180.0° |
| N4 | C31 | C32 | N5 | 2.2° | 0.0° |
| N4 | C31 | C32 | N6 | 178.1° | 180.0° |
| N4 | C31 | C34 | N7 | 179.8° | 180.0° |
| N4 | C31 | C34 | N3 | 0.1° | 0.0° |
| C31 | N4 | C30 | H40 | 178.6° | 180.0° |
| C31 | C32 | N5 | N6 | 175.8° | 180.0° |
| C31 | C32 | N6 | C33 | 2.8° | 0.0° |
| C32 | C31 | C34 | N7 | 0.1° | 0.0° |
| C32 | C31 | C34 | N3 | 179.8° | 180.0° |
| C31 | C32 | N5 | H41 | 175.8° | 0.0° |
| C31 | C32 | N5 | H42 | 55.8° | 180.0° |
| N5 | C32 | N6 | C33 | 178.8° | 180.0° |
| N5 | C32 | C31 | C34 | 177.9° | 180.0° |
| C32 | N5 | H41 | H42 | 120.0° | 179.9° |
| C32 | N6 | C33 | N7 | 1.5° | 0.1° |
| N6 | C32 | C31 | C34 | 2.0° | 0.0° |
| N6 | C32 | N5 | H41 | 0.0° | 180.0° |
| N6 | C32 | N5 | H42 | 120.0° | 0.0° |
| C32 | N6 | C33 | H43 | 178.5° | 180.0° |
| N6 | C33 | N7 | H43 | 180.0° | 180.0° |
| N6 | C33 | N7 | C34 | 0.5° | 0.1° |
| C33 | N7 | C34 | N3 | 179.0° | 180.0° |
| C33 | N7 | C34 | C31 | 1.3° | 0.0° |
| N7 | C34 | N3 | C31 | 179.7° | 180.0° |
| C34 | N7 | C33 | H43 | 179.4° | 180.0° |
| C29 | C35 | O15 | C36 | 112.5° | 112.7° |
| C29 | C35 | O15 | H44 | 121.6° | 123.6° |
| C29 | C35 | C36 | H44 | 114.4° | 118.2° |
| C29 | C35 | C36 | O16 | 74.1° | 97.8° |
| C29 | C35 | C36 | C28 | 40.0° | 20.9° |
| C35 | C29 | N3 | C34 | 117.2° | 89.1° |
| C29 | C35 | O15 | H45 | 180.0° | 61.5° |
| C29 | C35 | C36 | H46 | 158.2° | 139.6° |
| O15 | C35 | C36 | H44 | 126.7° | 123.6° |
| O15 | C35 | C36 | O16 | 44.7° | 20.4° |
| O15 | C35 | C36 | C28 | 158.8° | 139.1° |
| O15 | C35 | C29 | H39 | 47.6° | 36.6° |
| O15 | C35 | C36 | H46 | 83.0° | 102.2° |
| C35 | C36 | O16 | C28 | 111.9° | 114.8° |
| C35 | C36 | O16 | H46 | 126.7° | 122.6° |
| C35 | C36 | O16 | P3 | 129.1° | 125.3° |
| C35 | C36 | C28 | H46 | 118.2° | 118.7° |
| C35 | C36 | C28 | H38 | 141.0° | 117.5° |
| C36 | C35 | C29 | H39 | 75.5° | 81.5° |
| C36 | C35 | O15 | H45 | 67.5° | 174.2° |
| C36 | O16 | P3 | O17 | 99.4° | 55.0° |
| C36 | O16 | P3 | O18 | 140.5° | 65.0° |
| C36 | O16 | P3 | O19 | 17.6° | 175.0° |
| O16 | C36 | C28 | H46 | 122.6° | 122.6° |
| O16 | C36 | C28 | H38 | 21.8° | 1.2° |
| O16 | C36 | C35 | H44 | 171.4° | 144.0° |
| O16 | P3 | O17 | O18 | 108.4° | 120.0° |
| O16 | P3 | O17 | O19 | 120.8° | 120.0° |
| O16 | P3 | O18 | O19 | 123.9° | 120.1° |
| P3 | O16 | C36 | C28 | 119.0° | 120.0° |
| P3 | O16 | C36 | H46 | 2.4° | 2.6° |
| O16 | P3 | O18 | H51 | 106.9° | 60.0° |
| O16 | P3 | O19 | H52 | 110.8° | 180.0° |
| O17 | P3 | O18 | O19 | 129.1° | 120.0° |
| O17 | P3 | O18 | H51 | 0.0° | 180.0° |
| O17 | P3 | O19 | H52 | 0.0° | 60.0° |
| O18 | P3 | O19 | H52 | 132.7° | 60.0° |
| O19 | P3 | O18 | H51 | 129.1° | 60.1° |
| C12 | C37 | C8 | H47 | 180.0° | 179.4° |
| C37 | C12 | C11 | H11 | 178.9° | 180.0° |
| C6 | C38 | C2 | H48 | 180.0° | 179.4° |
| C38 | C6 | C5 | H6 | 179.7° | 180.0° |
| C38 | C6 | C7 | H7 | 37.6° | 30.0° |
| C38 | C6 | C7 | H8 | 82.2° | 150.0° |
| C38 | C2 | C3 | H4 | 179.8° | 179.5° |
| C37 | C8 | C9 | H9 | 179.1° | 179.9° |
| C36 | C28 | C27 | H36 | 177.5° | 64.3° |
| C36 | C28 | C27 | H37 | 56.6° | 55.8° |
| C28 | C36 | C35 | H44 | 74.4° | 97.3° |
| C34 | N3 | C29 | H39 | 7.4° | 33.9° |
| C34 | N3 | C30 | H40 | 178.4° | 180.0° |
| H5 | C4 | C5 | H6 | 0.4° | 0.0° |
| H5 | C4 | C3 | H4 | 0.4° | 0.2° |
| H13 | C14 | H14 | H15 | 120.0° | 120.0° |
| H13 | C14 | C13 | H12 | 64.8° | 64.9° |
| H14 | C14 | C13 | H12 | 175.2° | 55.2° |
| H15 | C14 | C13 | H12 | 55.2° | 175.1° |
| H11 | C11 | C10 | H10 | 0.1° | 0.3° |
| H9 | C9 | C10 | H10 | 0.9° | 0.1° |
| H20 | N1 | C17 | H18 | 10.6° | 120.0° |
| H20 | N1 | C17 | H19 | 129.6° | 120.0° |
| H25 | N2 | C20 | H23 | 15.1° | 120.0° |
| H25 | N2 | C20 | H24 | 134.1° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H16 | C16 | C17 | H18 | 174.2° | 60.0° |
| H16 | C16 | C17 | H19 | 66.8° | 180.0° |
| H17 | C16 | C17 | H18 | 55.4° | 180.0° |
| H17 | C16 | C17 | H19 | 174.5° | 60.0° |
| H21 | C19 | C20 | H23 | 36.4° | 60.0° |
| H21 | C19 | C20 | H24 | 82.5° | 180.0° |
| H22 | C19 | C20 | H23 | 155.5° | 180.0° |
| H22 | C19 | C20 | H24 | 36.5° | 60.0° |
| H26 | C22 | O6 | H27 | 60.4° | 180.0° |
| H28 | C24 | H29 | H30 | 120.1° | 119.9° |
| H31 | C25 | H32 | H33 | 120.0° | 120.0° |
| H36 | C27 | C28 | H38 | 61.0° | 174.6° |
| H37 | C27 | C28 | H38 | 178.1° | 65.4° |
| H38 | C28 | C36 | H46 | 100.8° | 123.8° |
| H39 | C29 | C35 | H44 | 170.2° | 160.2° |
| H44 | C35 | O15 | H45 | 58.4° | 62.1° |
| H44 | C35 | C36 | H46 | 43.7° | 21.4° |
