YAF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.51Å | 1.49Å | |
| C7 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.37Å | |
| C6 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.54Å | 1.52Å | |
| C9 | N1 | sing | 1.49Å | 1.42Å | |
| C10 | C11 | sing | 1.54Å | 1.51Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.34Å | |
| C5 | C4 | doub | 1.39Å | 1.36Å | Aromatic |
| N1 | C21 | sing | 1.48Å | 1.45Å | |
| O3 | C22 | doub | 1.21Å | 1.20Å | |
| C11 | C21 | sing | 1.54Å | 1.55Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | N5 | sing | 1.40Å | 1.40Å | |
| C21 | C22 | sing | 1.50Å | 1.48Å | |
| C21 | C24 | sing | 1.50Å | 1.49Å | |
| C22 | N3 | sing | 1.34Å | 1.31Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | N2 | sing | 1.46Å | 1.46Å | |
| C20 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| N5 | C24 | sing | 1.36Å | 1.33Å | |
| N5 | C25 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | N4 | doub | 1.31Å | 1.27Å | |
| N3 | C23 | sing | 1.34Å | 1.34Å | |
| C16 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.50Å | |
| N2 | C17 | sing | 1.35Å | 1.33Å | |
| N2 | C18 | sing | 1.46Å | 1.45Å | |
| O5 | C26 | sing | 1.43Å | 1.35Å | |
| C25 | C26 | sing | 1.53Å | 1.48Å | |
| N4 | C23 | sing | 1.34Å | 1.28Å | |
| C23 | O4 | doub | 1.22Å | 1.19Å | |
| C17 | O2 | doub | 1.22Å | 1.22Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| O16 | C38 | sing | 1.43Å | 1.40Å | |
| C27 | O6 | sing | 1.43Å | 1.36Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| O13 | P2 | doub | 1.48Å | 1.44Å | |
| C38 | C39 | sing | 1.55Å | 1.51Å | |
| C38 | C32 | sing | 1.55Å | 1.50Å | |
| O7 | C28 | sing | 1.43Å | 1.41Å | |
| C33 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C33 | N6 | sing | 1.36Å | 1.31Å | Aromatic |
| C39 | O17 | sing | 1.43Å | 1.42Å | |
| C39 | C31 | sing | 1.54Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| N7 | C34 | sing | 1.35Å | 1.37Å | Aromatic |
| O12 | P2 | sing | 1.61Å | 1.45Å | |
| P2 | O11 | sing | 1.61Å | 1.54Å | |
| P2 | O14 | sing | 1.61Å | 1.54Å | |
| N6 | C32 | sing | 1.46Å | 1.39Å | |
| N6 | C37 | sing | 1.37Å | 1.35Å | Aromatic |
| C32 | O15 | sing | 1.44Å | 1.39Å | |
| C34 | C37 | doub | 1.40Å | 1.36Å | Aromatic |
| C34 | C35 | sing | 1.41Å | 1.39Å | Aromatic |
| C29 | O8 | sing | 1.43Å | 1.43Å | |
| C37 | N10 | sing | 1.33Å | 1.33Å | Aromatic |
| N8 | C35 | sing | 1.38Å | 1.32Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C30 | O14 | sing | 1.43Å | 1.41Å | |
| C31 | O15 | sing | 1.44Å | 1.44Å | |
| C35 | N9 | doub | 1.33Å | 1.34Å | Aromatic |
| O11 | P1 | sing | 1.61Å | 1.54Å | |
| O8 | P1 | sing | 1.61Å | 1.55Å | |
| N10 | C36 | doub | 1.32Å | 1.32Å | Aromatic |
| N9 | C36 | sing | 1.32Å | 1.33Å | Aromatic |
| P1 | O10 | doub | 1.48Å | 1.44Å | |
| P1 | O9 | sing | 1.61Å | 1.45Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.08Å | 1.08Å | |
| C36 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| N8 | H41 | sing | 0.97Å | 1.00Å | |
| N8 | H42 | sing | 0.97Å | 1.00Å | |
| O1 | H43 | sing | 0.97Å | 0.95Å | |
| O12 | H44 | sing | 0.97Å | 0.95Å | |
| O16 | H45 | sing | 0.97Å | 0.95Å | |
| O17 | H46 | sing | 0.97Å | 0.95Å | |
| O5 | H47 | sing | 0.97Å | 0.95Å | |
| O6 | H48 | sing | 0.97Å | 0.95Å | |
| O7 | H49 | sing | 0.97Å | 0.95Å | |
| O9 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 120.9° | 119.9° |
| C8 | C7 | C2 | 120.2° | 119.9° |
| C7 | C8 | H4 | 109.5° | 109.4° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C6 | C7 | C2 | 118.9° | 120.3° |
| C7 | C6 | C5 | 119.9° | 120.2° |
| C7 | C6 | H2 | 120.0° | 119.9° |
| C7 | C2 | C1 | 118.9° | 120.0° |
| C7 | C2 | C3 | 120.0° | 120.0° |
| O1 | C9 | C10 | 112.2° | 110.5° |
| O1 | C9 | N1 | 103.6° | 110.5° |
| O1 | C9 | H7 | 113.4° | 110.5° |
| C9 | O1 | H43 | 109.5° | 114.0° |
| C6 | C5 | N1 | 116.0° | 118.4° |
| C6 | C5 | C4 | 121.8° | 119.4° |
| C5 | C6 | H2 | 120.1° | 120.0° |
| C10 | C9 | N1 | 103.4° | 104.2° |
| C9 | C10 | C11 | 96.4° | 105.0° |
| C10 | C9 | H7 | 111.0° | 110.5° |
| C9 | C10 | H8 | 112.6° | 110.4° |
| C9 | C10 | H9 | 112.6° | 110.4° |
| C9 | N1 | C5 | 112.4° | 107.8° |
| C9 | N1 | C21 | 107.2° | 103.4° |
| N1 | C9 | H7 | 112.5° | 110.5° |
| C10 | C11 | C21 | 103.8° | 104.5° |
| C10 | C11 | C12 | 121.2° | 110.4° |
| C10 | C11 | H3 | 98.9° | 110.6° |
| C11 | C10 | H8 | 112.6° | 110.4° |
| C11 | C10 | H9 | 112.6° | 110.3° |
| C1 | C2 | C3 | 121.0° | 120.0° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H11 | 120.0° | 120.0° |
| N1 | C5 | C4 | 122.2° | 122.2° |
| C5 | N1 | C21 | 121.1° | 111.9° |
| C5 | C4 | C3 | 119.3° | 120.1° |
| C5 | C4 | N5 | 119.0° | 120.5° |
| N1 | C21 | C11 | 103.7° | 104.7° |
| N1 | C21 | C22 | 105.7° | 110.3° |
| N1 | C21 | C24 | 111.6° | 111.5° |
| O3 | C22 | C21 | 121.6° | 119.7° |
| O3 | C22 | N3 | 121.8° | 119.7° |
| C21 | C11 | C12 | 127.9° | 110.4° |
| C11 | C21 | C22 | 96.5° | 108.7° |
| C11 | C21 | C24 | 128.3° | 110.5° |
| C21 | C11 | H3 | 98.7° | 110.4° |
| C11 | C12 | C13 | 112.0° | 119.9° |
| C11 | C12 | C20 | 129.2° | 119.9° |
| C12 | C11 | H3 | 98.9° | 110.3° |
| C3 | C4 | N5 | 121.7° | 119.4° |
| C4 | C3 | H11 | 120.0° | 120.0° |
| C4 | N5 | C24 | 120.9° | 118.2° |
| C4 | N5 | C25 | 119.2° | 120.9° |
| C22 | C21 | C24 | 108.4° | 110.9° |
| C21 | C22 | N3 | 116.5° | 120.6° |
| C21 | C24 | N5 | 120.3° | 119.3° |
| C21 | C24 | N4 | 121.3° | 121.5° |
| C22 | N3 | C23 | 121.1° | 121.2° |
| C22 | N3 | H12 | 119.4° | 119.4° |
| C13 | C12 | C20 | 118.8° | 120.1° |
| C12 | C13 | C14 | 121.8° | 120.3° |
| C12 | C13 | H10 | 119.1° | 119.8° |
| C12 | C20 | C16 | 119.8° | 119.9° |
| C12 | C20 | H23 | 120.1° | 120.1° |
| C13 | C14 | C15 | 118.8° | 120.2° |
| C13 | C14 | H1 | 120.6° | 119.9° |
| C14 | C13 | H10 | 119.1° | 119.9° |
| C19 | N2 | C17 | 124.4° | 120.0° |
| C19 | N2 | C18 | 115.5° | 120.0° |
| N2 | C19 | H20 | 109.5° | 109.5° |
| N2 | C19 | H21 | 109.5° | 109.5° |
| N2 | C19 | H22 | 109.5° | 109.5° |
| C20 | C16 | C15 | 119.6° | 119.7° |
| C20 | C16 | C17 | 127.0° | 120.1° |
| C16 | C20 | H23 | 120.1° | 120.1° |
| C24 | N5 | C25 | 119.8° | 120.9° |
| N5 | C24 | N4 | 118.4° | 119.2° |
| N5 | C25 | C26 | 113.1° | 109.4° |
| N5 | C25 | H25 | 108.6° | 109.5° |
| N5 | C25 | H26 | 108.6° | 109.5° |
| C14 | C15 | C16 | 121.1° | 119.8° |
| C15 | C14 | H1 | 120.6° | 119.9° |
| C14 | C15 | H16 | 119.5° | 120.1° |
| C24 | N4 | C23 | 118.1° | 122.3° |
| N3 | C23 | N4 | 124.0° | 121.8° |
| N3 | C23 | O4 | 118.0° | 119.1° |
| C23 | N3 | H12 | 119.5° | 119.4° |
| C15 | C16 | C17 | 113.3° | 120.2° |
| C16 | C15 | H16 | 119.5° | 120.0° |
| C16 | C17 | N2 | 120.2° | 120.0° |
| C16 | C17 | O2 | 118.5° | 120.0° |
| C17 | N2 | C18 | 120.0° | 120.0° |
| N2 | C17 | O2 | 120.8° | 120.0° |
| N2 | C18 | H17 | 109.5° | 109.5° |
| N2 | C18 | H18 | 109.5° | 109.5° |
| N2 | C18 | H19 | 109.4° | 109.5° |
| O5 | C26 | C25 | 104.4° | 109.5° |
| O5 | C26 | C27 | 105.8° | 109.5° |
| O5 | C26 | H27 | 113.5° | 109.5° |
| C26 | O5 | H47 | 109.5° | 114.0° |
| C25 | C26 | C27 | 110.6° | 109.4° |
| C26 | C25 | H25 | 108.5° | 109.5° |
| C26 | C25 | H26 | 108.5° | 109.5° |
| C25 | C26 | H27 | 111.4° | 109.5° |
| N4 | C23 | O4 | 117.9° | 119.1° |
| C26 | C27 | O6 | 108.8° | 109.4° |
| C26 | C27 | C28 | 113.5° | 109.4° |
| C27 | C26 | H27 | 110.8° | 109.5° |
| C26 | C27 | H28 | 108.9° | 109.5° |
| O16 | C38 | C39 | 111.6° | 110.9° |
| O16 | C38 | C32 | 107.9° | 110.9° |
| O16 | C38 | H38 | 114.3° | 110.8° |
| C38 | O16 | H45 | 109.5° | 114.0° |
| O6 | C27 | C28 | 105.6° | 109.5° |
| O6 | C27 | H28 | 111.1° | 109.5° |
| C27 | O6 | H48 | 109.5° | 114.1° |
| C27 | C28 | O7 | 107.2° | 109.5° |
| C27 | C28 | C29 | 111.1° | 109.4° |
| C28 | C27 | H28 | 108.9° | 109.5° |
| C27 | C28 | H29 | 108.7° | 109.5° |
| O13 | P2 | O12 | 122.7° | 109.5° |
| O13 | P2 | O11 | 104.9° | 109.5° |
| O13 | P2 | O14 | 109.4° | 109.4° |
| C39 | C38 | C32 | 96.7° | 102.1° |
| C38 | C39 | O17 | 105.9° | 110.5° |
| C38 | C39 | C31 | 101.0° | 104.1° |
| C39 | C38 | H38 | 112.4° | 110.9° |
| C38 | C39 | H39 | 112.7° | 110.5° |
| C38 | C32 | N6 | 117.2° | 110.7° |
| C38 | C32 | O15 | 102.7° | 103.5° |
| C38 | C32 | H35 | 108.4° | 110.6° |
| C32 | C38 | H38 | 112.5° | 110.9° |
| O7 | C28 | C29 | 110.9° | 109.5° |
| O7 | C28 | H29 | 110.1° | 109.5° |
| C28 | O7 | H49 | 109.5° | 114.0° |
| N7 | C33 | N6 | 113.7° | 109.9° |
| C33 | N7 | C34 | 103.9° | 109.5° |
| N7 | C33 | H36 | 123.2° | 125.1° |
| C33 | N6 | C32 | 129.2° | 126.3° |
| C33 | N6 | C37 | 106.9° | 107.4° |
| N6 | C33 | H36 | 123.1° | 125.0° |
| O17 | C39 | C31 | 109.5° | 110.5° |
| O17 | C39 | H39 | 114.3° | 110.5° |
| C39 | O17 | H46 | 109.5° | 114.0° |
| C39 | C31 | C30 | 116.1° | 109.9° |
| C39 | C31 | O15 | 104.4° | 107.3° |
| C39 | C31 | H34 | 109.3° | 110.0° |
| C31 | C39 | H39 | 112.5° | 110.5° |
| C28 | C29 | O8 | 113.6° | 109.5° |
| C29 | C28 | H29 | 108.9° | 109.4° |
| C28 | C29 | H30 | 108.4° | 109.5° |
| C28 | C29 | H31 | 108.4° | 109.5° |
| N7 | C34 | C37 | 109.6° | 107.2° |
| N7 | C34 | C35 | 133.6° | 134.7° |
| O12 | P2 | O11 | 106.8° | 109.5° |
| O12 | P2 | O14 | 108.0° | 109.4° |
| P2 | O12 | H44 | 109.5° | 114.0° |
| O11 | P2 | O14 | 103.3° | 109.4° |
| P2 | O11 | P1 | 117.8° | 134.0° |
| P2 | O14 | C30 | 114.4° | 123.0° |
| C32 | N6 | C37 | 124.0° | 126.3° |
| N6 | C32 | O15 | 108.3° | 110.6° |
| N6 | C32 | H35 | 110.0° | 110.5° |
| N6 | C37 | C34 | 106.0° | 106.0° |
| N6 | C37 | N10 | 126.7° | 134.9° |
| C32 | O15 | C31 | 108.0° | 107.0° |
| O15 | C32 | H35 | 110.0° | 110.6° |
| C37 | C34 | C35 | 116.8° | 118.2° |
| C34 | C37 | N10 | 127.3° | 119.1° |
| C34 | C35 | N8 | 124.0° | 120.8° |
| C34 | C35 | N9 | 117.7° | 118.4° |
| C29 | O8 | P1 | 118.0° | 123.0° |
| O8 | C29 | H30 | 108.4° | 109.4° |
| O8 | C29 | H31 | 108.4° | 109.5° |
| C37 | N10 | C36 | 110.7° | 120.6° |
| N8 | C35 | N9 | 118.2° | 120.8° |
| C35 | N8 | H41 | 109.5° | 120.0° |
| C35 | N8 | H42 | 109.5° | 120.0° |
| C31 | C30 | O14 | 109.9° | 109.5° |
| C30 | C31 | O15 | 106.5° | 109.9° |
| C31 | C30 | H32 | 109.4° | 109.5° |
| C31 | C30 | H33 | 109.4° | 109.5° |
| C30 | C31 | H34 | 109.7° | 109.9° |
| O14 | C30 | H32 | 109.4° | 109.5° |
| O14 | C30 | H33 | 109.4° | 109.5° |
| O15 | C31 | H34 | 110.6° | 109.9° |
| C35 | N9 | C36 | 118.6° | 121.2° |
| O11 | P1 | O8 | 107.7° | 109.4° |
| O11 | P1 | O10 | 104.7° | 109.5° |
| O11 | P1 | O9 | 112.0° | 109.5° |
| O8 | P1 | O10 | 98.6° | 109.5° |
| O8 | P1 | O9 | 115.2° | 109.5° |
| N10 | C36 | N9 | 128.8° | 122.5° |
| N10 | C36 | H37 | 115.6° | 118.8° |
| N9 | C36 | H37 | 115.6° | 118.8° |
| O10 | P1 | O9 | 117.3° | 109.5° |
| P1 | O9 | H50 | 109.5° | 114.0° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H4 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 110.3° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H17 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.4° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H22 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.4° | 109.5° |
| H32 | C30 | H33 | 109.4° | 109.4° |
| H41 | N8 | H42 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | C2 | 179.4° | 180.0° |
| C8 | C7 | C6 | C5 | 179.7° | 180.0° |
| C8 | C7 | C2 | C1 | 0.3° | 0.0° |
| C8 | C7 | C2 | C3 | 179.8° | 179.7° |
| C8 | C7 | C6 | H2 | 0.3° | 0.1° |
| C7 | C8 | H4 | H5 | 120.0° | 119.9° |
| C7 | C8 | H4 | H6 | 120.0° | 120.0° |
| C7 | C8 | H5 | H6 | 120.0° | 120.0° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C6 | C7 | C2 | C1 | 179.6° | 180.0° |
| C6 | C7 | C2 | C3 | 0.5° | 0.3° |
| C7 | C6 | C5 | N1 | 179.0° | 179.8° |
| C7 | C6 | C5 | C4 | 0.9° | 0.1° |
| C6 | C7 | C8 | H4 | 89.7° | 90.1° |
| C6 | C7 | C8 | H5 | 150.3° | 150.0° |
| C6 | C7 | C8 | H6 | 30.4° | 29.9° |
| C2 | C7 | C6 | C5 | 0.9° | 0.1° |
| C7 | C2 | C1 | C3 | 179.9° | 179.7° |
| C7 | C2 | C3 | C4 | 0.0° | 0.6° |
| C2 | C7 | C6 | H2 | 179.1° | 180.0° |
| C2 | C7 | C8 | H4 | 89.7° | 90.0° |
| C2 | C7 | C8 | H5 | 30.3° | 30.0° |
| C2 | C7 | C8 | H6 | 150.3° | 150.0° |
| C7 | C2 | C3 | H11 | 180.0° | 179.8° |
| C7 | C2 | C1 | H13 | 90.1° | 90.0° |
| C7 | C2 | C1 | H14 | 149.9° | 150.0° |
| C7 | C2 | C1 | H15 | 30.0° | 30.1° |
| O1 | C9 | C10 | N1 | 110.9° | 118.7° |
| O1 | C9 | C10 | H7 | 128.1° | 122.6° |
| O1 | C9 | N1 | H7 | 122.9° | 122.6° |
| O1 | C9 | C10 | C11 | 61.1° | 94.2° |
| O1 | C9 | N1 | C5 | 147.2° | 163.7° |
| O1 | C9 | N1 | C21 | 77.3° | 77.6° |
| O1 | C9 | C10 | H8 | 56.7° | 146.8° |
| O1 | C9 | C10 | H9 | 178.9° | 24.6° |
| C6 | C5 | N1 | C9 | 40.1° | 39.2° |
| C6 | C5 | N1 | C4 | 179.9° | 179.9° |
| C6 | C5 | N1 | C21 | 168.7° | 152.3° |
| C6 | C5 | C4 | C3 | 0.4° | 0.1° |
| C6 | C5 | C4 | N5 | 179.4° | 179.8° |
| C10 | C9 | N1 | H7 | 119.9° | 118.7° |
| C9 | C10 | C11 | H8 | 117.8° | 118.9° |
| C9 | C10 | C11 | H9 | 117.8° | 118.9° |
| C10 | C9 | N1 | C5 | 95.6° | 77.6° |
| C10 | C9 | N1 | C21 | 39.9° | 41.1° |
| C9 | C10 | C11 | C21 | 41.2° | 0.5° |
| C9 | C10 | C11 | C12 | 166.1° | 118.2° |
| C9 | C10 | C11 | H3 | 60.1° | 119.3° |
| C9 | C10 | H8 | H9 | 126.1° | 122.2° |
| C10 | C9 | O1 | H43 | 86.7° | 61.4° |
| N1 | C9 | C10 | C11 | 49.8° | 24.4° |
| C9 | N1 | C5 | C21 | 128.6° | 113.1° |
| C9 | N1 | C5 | C4 | 139.8° | 140.8° |
| C9 | N1 | C21 | C11 | 12.1° | 41.6° |
| C9 | N1 | C21 | C22 | 88.8° | 75.2° |
| C9 | N1 | C21 | C24 | 153.6° | 161.1° |
| N1 | C9 | C10 | H8 | 167.6° | 94.5° |
| N1 | C9 | C10 | H9 | 67.9° | 143.3° |
| N1 | C9 | O1 | H43 | 24.1° | 176.2° |
| C10 | C11 | C21 | N1 | 19.9° | 25.6° |
| C10 | C11 | C21 | C12 | 150.2° | 118.7° |
| C10 | C11 | C21 | H3 | 101.4° | 119.0° |
| C10 | C11 | C12 | H3 | 106.1° | 122.6° |
| C10 | C11 | C21 | C22 | 127.8° | 92.3° |
| C10 | C11 | C21 | C24 | 112.6° | 145.8° |
| C10 | C11 | C12 | C13 | 118.9° | 20.9° |
| C10 | C11 | C12 | C20 | 59.7° | 159.6° |
| C11 | C10 | C9 | H7 | 170.7° | 143.2° |
| C11 | C10 | H8 | H9 | 126.1° | 122.2° |
| C1 | C2 | C3 | C4 | 179.9° | 179.7° |
| C1 | C2 | C3 | H11 | 0.1° | 0.1° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.5° |
| C2 | C3 | C4 | H11 | 180.0° | 179.6° |
| C2 | C3 | C4 | N5 | 179.9° | 179.8° |
| C3 | C2 | C1 | H13 | 90.0° | 90.3° |
| C3 | C2 | C1 | H14 | 30.0° | 29.7° |
| C3 | C2 | C1 | H15 | 150.0° | 149.6° |
| C5 | N1 | C21 | C11 | 118.7° | 74.2° |
| N1 | C5 | C4 | C3 | 179.5° | 179.9° |
| N1 | C5 | C4 | N5 | 0.7° | 0.2° |
| C5 | N1 | C21 | C22 | 140.4° | 169.1° |
| C5 | N1 | C21 | C24 | 22.8° | 45.3° |
| N1 | C5 | C6 | H2 | 1.0° | 0.1° |
| C5 | N1 | C9 | H7 | 24.3° | 41.1° |
| C4 | C5 | N1 | C21 | 11.2° | 27.8° |
| C5 | C4 | C3 | N5 | 179.8° | 179.7° |
| C5 | C4 | N5 | C24 | 1.9° | 7.7° |
| C5 | C4 | N5 | C25 | 175.7° | 172.4° |
| C4 | C5 | C6 | H2 | 179.1° | 179.9° |
| C5 | C4 | C3 | H11 | 179.9° | 179.9° |
| N1 | C21 | C22 | O3 | 32.5° | 43.9° |
| N1 | C21 | C11 | C22 | 107.9° | 117.9° |
| N1 | C21 | C11 | C24 | 132.5° | 120.2° |
| N1 | C21 | C11 | C12 | 170.1° | 93.1° |
| N1 | C21 | C22 | C24 | 119.8° | 124.1° |
| N1 | C21 | C22 | N3 | 150.6° | 136.2° |
| N1 | C21 | C24 | N5 | 25.2° | 40.5° |
| N1 | C21 | C24 | N4 | 152.5° | 136.8° |
| N1 | C21 | C11 | H3 | 81.5° | 144.6° |
| C21 | N1 | C9 | H7 | 159.8° | 159.8° |
| O3 | C22 | C21 | C11 | 73.7° | 70.3° |
| O3 | C22 | C21 | N3 | 176.9° | 179.9° |
| O3 | C22 | C21 | C24 | 152.2° | 168.0° |
| O3 | C22 | N3 | C23 | 172.2° | 177.5° |
| O3 | C22 | N3 | H12 | 7.8° | 2.4° |
| C21 | C11 | C12 | H3 | 108.3° | 122.3° |
| C11 | C21 | C22 | C24 | 134.1° | 121.6° |
| C11 | C21 | C22 | N3 | 103.2° | 109.6° |
| C21 | C11 | C12 | C13 | 95.5° | 94.2° |
| C21 | C11 | C12 | C20 | 85.9° | 85.3° |
| C11 | C21 | C24 | N5 | 104.4° | 75.6° |
| C11 | C21 | C24 | N4 | 77.9° | 107.2° |
| C21 | C11 | C10 | H8 | 159.0° | 119.4° |
| C21 | C11 | C10 | H9 | 76.6° | 118.4° |
| C12 | C11 | C21 | C22 | 82.0° | 149.0° |
| C12 | C11 | C21 | C24 | 37.6° | 27.1° |
| C11 | C12 | C13 | C20 | 178.7° | 179.5° |
| C11 | C12 | C13 | C14 | 179.7° | 180.0° |
| C11 | C12 | C20 | C16 | 179.4° | 179.7° |
| C12 | C11 | C10 | H8 | 48.3° | 0.7° |
| C12 | C11 | C10 | H9 | 76.1° | 122.9° |
| C11 | C12 | C13 | H10 | 0.3° | 0.1° |
| C11 | C12 | C20 | H23 | 0.6° | 0.5° |
| C3 | C4 | N5 | C24 | 177.9° | 172.0° |
| C3 | C4 | N5 | C25 | 4.4° | 7.8° |
| C4 | N5 | C24 | C21 | 15.8° | 13.5° |
| C4 | N5 | C24 | C25 | 177.6° | 179.9° |
| C4 | N5 | C24 | N4 | 161.9° | 163.8° |
| C4 | N5 | C25 | C26 | 87.6° | 90.0° |
| N5 | C4 | C3 | H11 | 0.1° | 0.2° |
| C4 | N5 | C25 | H25 | 151.9° | 30.0° |
| C4 | N5 | C25 | H26 | 33.0° | 150.0° |
| C22 | C21 | C24 | N5 | 141.1° | 163.8° |
| C22 | C21 | C24 | N4 | 36.5° | 13.4° |
| C21 | C22 | N3 | C23 | 10.9° | 2.7° |
| C22 | C21 | C11 | H3 | 26.4° | 26.7° |
| C21 | C22 | N3 | H12 | 169.1° | 177.5° |
| C24 | C21 | C22 | N3 | 30.9° | 12.1° |
| C21 | C24 | N5 | N4 | 177.7° | 177.3° |
| C21 | C24 | N5 | C25 | 161.8° | 166.4° |
| C21 | C24 | N4 | C23 | 18.8° | 5.1° |
| C24 | C21 | C11 | H3 | 146.0° | 95.2° |
| C22 | N3 | C23 | H12 | 180.0° | 179.9° |
| C22 | N3 | C23 | N4 | 10.9° | 7.4° |
| C22 | N3 | C23 | O4 | 171.0° | 172.5° |
| C12 | C13 | C14 | H10 | 180.0° | 179.9° |
| C13 | C12 | C20 | C16 | 0.9° | 0.8° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | H1 | 179.8° | 179.7° |
| C13 | C12 | C11 | H3 | 12.8° | 143.5° |
| C13 | C12 | C20 | H23 | 179.1° | 180.0° |
| C20 | C12 | C13 | C14 | 1.0° | 0.5° |
| C12 | C20 | C16 | H23 | 180.0° | 179.2° |
| C12 | C20 | C16 | C15 | 0.0° | 0.6° |
| C12 | C20 | C16 | C17 | 179.3° | 179.5° |
| C20 | C12 | C11 | H3 | 165.8° | 37.0° |
| C20 | C12 | C13 | H10 | 179.0° | 179.4° |
| C13 | C14 | C15 | H1 | 180.0° | 179.6° |
| C13 | C14 | C15 | C16 | 0.7° | 0.3° |
| C13 | C14 | C15 | H16 | 179.3° | 179.7° |
| C19 | N2 | C17 | C16 | 19.8° | 8.4° |
| C19 | N2 | C17 | C18 | 176.3° | 179.9° |
| C19 | N2 | C17 | O2 | 152.5° | 171.7° |
| C19 | N2 | C18 | H17 | 180.0° | 90.0° |
| C19 | N2 | C18 | H18 | 60.0° | 30.0° |
| C19 | N2 | C18 | H19 | 60.0° | 150.0° |
| N2 | C19 | H20 | H21 | 120.0° | 120.0° |
| N2 | C19 | H20 | H22 | 120.0° | 120.1° |
| N2 | C19 | H21 | H22 | 120.0° | 120.0° |
| C20 | C16 | C15 | C14 | 0.8° | 0.0° |
| C20 | C16 | C15 | C17 | 179.4° | 179.9° |
| C20 | C16 | C17 | N2 | 55.0° | 163.2° |
| C20 | C16 | C17 | O2 | 132.5° | 16.7° |
| C20 | C16 | C15 | H16 | 179.2° | 180.0° |
| C24 | N5 | C25 | C26 | 94.8° | 90.1° |
| N5 | C24 | N4 | C23 | 158.8° | 172.1° |
| C24 | N5 | C25 | H25 | 25.7° | 149.9° |
| C24 | N5 | C25 | H26 | 144.7° | 29.9° |
| C25 | N5 | C24 | N4 | 20.5° | 16.3° |
| N5 | C25 | C26 | O5 | 49.7° | 60.0° |
| N5 | C25 | C26 | H25 | 120.5° | 120.0° |
| N5 | C25 | C26 | H26 | 120.6° | 120.0° |
| N5 | C25 | C26 | C27 | 163.0° | 180.0° |
| N5 | C25 | H25 | H26 | 118.4° | 120.0° |
| N5 | C25 | C26 | H27 | 73.2° | 60.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.8° | 179.9° |
| C15 | C14 | C13 | H10 | 179.8° | 180.0° |
| C24 | N4 | C23 | N3 | 6.9° | 6.2° |
| C24 | N4 | C23 | O4 | 175.0° | 173.7° |
| N3 | C23 | N4 | O4 | 178.1° | 179.9° |
| C15 | C16 | C17 | N2 | 125.6° | 16.9° |
| C15 | C16 | C17 | O2 | 46.8° | 163.2° |
| C16 | C15 | C14 | H1 | 179.3° | 180.0° |
| C15 | C16 | C20 | H23 | 180.0° | 179.8° |
| C16 | C17 | N2 | O2 | 172.3° | 180.0° |
| C16 | C17 | N2 | C18 | 163.9° | 171.7° |
| C17 | C16 | C15 | H16 | 0.2° | 0.1° |
| C17 | C16 | C20 | H23 | 0.7° | 0.3° |
| C17 | N2 | C18 | H17 | 3.4° | 90.1° |
| C17 | N2 | C18 | H18 | 116.6° | 149.9° |
| C17 | N2 | C18 | H19 | 123.4° | 30.0° |
| C17 | N2 | C19 | H20 | 180.0° | 67.6° |
| C17 | N2 | C19 | H21 | 60.0° | 172.4° |
| C17 | N2 | C19 | H22 | 60.0° | 52.5° |
| C18 | N2 | C17 | O2 | 23.8° | 8.3° |
| N2 | C18 | H17 | H18 | 120.0° | 120.0° |
| N2 | C18 | H17 | H19 | 120.0° | 120.1° |
| N2 | C18 | H18 | H19 | 120.0° | 120.0° |
| C18 | N2 | C19 | H20 | 3.6° | 112.4° |
| C18 | N2 | C19 | H21 | 116.4° | 7.6° |
| C18 | N2 | C19 | H22 | 123.6° | 127.5° |
| O5 | C26 | C25 | C27 | 113.3° | 120.0° |
| O5 | C26 | C25 | H27 | 122.9° | 120.0° |
| O5 | C26 | C27 | H27 | 123.4° | 120.0° |
| O5 | C26 | C27 | O6 | 155.7° | 180.0° |
| O5 | C26 | C27 | C28 | 87.0° | 60.0° |
| O5 | C26 | C25 | H25 | 170.2° | 60.0° |
| O5 | C26 | C25 | H26 | 70.9° | 180.0° |
| O5 | C26 | C27 | H28 | 34.5° | 60.0° |
| C25 | C26 | C27 | H27 | 124.1° | 120.0° |
| C25 | C26 | C27 | O6 | 43.2° | 60.0° |
| C25 | C26 | C27 | C28 | 160.5° | 180.0° |
| C26 | C25 | H25 | H26 | 118.3° | 120.0° |
| C25 | C26 | C27 | H28 | 78.0° | 60.0° |
| C25 | C26 | O5 | H47 | 180.0° | 59.9° |
| N4 | C23 | N3 | H12 | 169.2° | 172.5° |
| O4 | C23 | N3 | H12 | 9.0° | 7.7° |
| C26 | C27 | O6 | C28 | 122.2° | 119.9° |
| C26 | C27 | O6 | H28 | 119.8° | 120.0° |
| C26 | C27 | C28 | H28 | 121.5° | 120.0° |
| C26 | C27 | C28 | O7 | 62.0° | 60.0° |
| C26 | C27 | C28 | C29 | 176.7° | 180.0° |
| C27 | C26 | C25 | H25 | 76.4° | 60.0° |
| C27 | C26 | C25 | H26 | 42.5° | 60.0° |
| C26 | C27 | C28 | H29 | 56.9° | 60.0° |
| C27 | C26 | O5 | H47 | 63.2° | 60.0° |
| C26 | C27 | O6 | H48 | 180.0° | 60.0° |
| O16 | C38 | C39 | C32 | 112.3° | 118.2° |
| O16 | C38 | C39 | H38 | 129.9° | 123.6° |
| O16 | C38 | C32 | H38 | 127.0° | 123.6° |
| O16 | C38 | C39 | O17 | 43.0° | 20.4° |
| O16 | C38 | C39 | C31 | 157.2° | 139.1° |
| O16 | C38 | C32 | N6 | 75.3° | 86.2° |
| O16 | C38 | C32 | O15 | 166.3° | 155.2° |
| O16 | C38 | C32 | H35 | 49.9° | 36.7° |
| O16 | C38 | C39 | H39 | 82.6° | 102.3° |
| O6 | C27 | C28 | H28 | 119.4° | 120.1° |
| O6 | C27 | C28 | O7 | 178.9° | 180.0° |
| O6 | C27 | C28 | C29 | 57.6° | 60.0° |
| O6 | C27 | C26 | H27 | 80.9° | 60.0° |
| O6 | C27 | C28 | H29 | 62.2° | 59.9° |
| C27 | C28 | O7 | C29 | 121.4° | 120.0° |
| C27 | C28 | O7 | H29 | 118.1° | 120.1° |
| C27 | C28 | C29 | H29 | 119.6° | 120.0° |
| C27 | C28 | C29 | O8 | 138.5° | 175.0° |
| C28 | C27 | C26 | H27 | 36.4° | 60.0° |
| C27 | C28 | C29 | H30 | 100.8° | 55.0° |
| C27 | C28 | C29 | H31 | 17.9° | 65.0° |
| C28 | C27 | O6 | H48 | 57.9° | 59.9° |
| C27 | C28 | O7 | H49 | 180.0° | 60.0° |
| O13 | P2 | O12 | O11 | 120.9° | 120.1° |
| O13 | P2 | O12 | O14 | 128.6° | 120.0° |
| O13 | P2 | O11 | O14 | 114.5° | 120.0° |
| O13 | P2 | O14 | C30 | 12.9° | 54.9° |
| O13 | P2 | O11 | P1 | 158.1° | 40.1° |
| O13 | P2 | O12 | H44 | 0.0° | 180.0° |
| C39 | C38 | C32 | H38 | 117.6° | 118.2° |
| C38 | C39 | O17 | C31 | 108.1° | 114.7° |
| C38 | C39 | O17 | H39 | 124.6° | 122.6° |
| C38 | C39 | C31 | H39 | 120.3° | 118.7° |
| C39 | C38 | C32 | N6 | 169.4° | 155.6° |
| C39 | C38 | C32 | O15 | 50.9° | 37.0° |
| C38 | C39 | C31 | C30 | 91.6° | 121.5° |
| C38 | C39 | C31 | O15 | 25.3° | 2.0° |
| C38 | C39 | C31 | H34 | 143.6° | 117.5° |
| C39 | C38 | C32 | H35 | 65.4° | 81.5° |
| C39 | C38 | O16 | H45 | 180.0° | 61.4° |
| C38 | C39 | O17 | H46 | 180.0° | 61.4° |
| C38 | C32 | N6 | C33 | 42.6° | 90.6° |
| C32 | C38 | C39 | O17 | 69.3° | 97.8° |
| C32 | C38 | C39 | C31 | 44.9° | 20.9° |
| C38 | C32 | N6 | O15 | 115.4° | 114.2° |
| C38 | C32 | N6 | H35 | 124.4° | 123.0° |
| C38 | C32 | N6 | C37 | 137.4° | 89.4° |
| C38 | C32 | O15 | H35 | 115.2° | 118.5° |
| C38 | C32 | O15 | C31 | 37.0° | 40.0° |
| C32 | C38 | C39 | H39 | 165.1° | 139.6° |
| C32 | C38 | O16 | H45 | 74.9° | 174.1° |
| O7 | C28 | C29 | H29 | 121.3° | 120.0° |
| O7 | C28 | C29 | O8 | 19.5° | 65.0° |
| O7 | C28 | C27 | H28 | 59.5° | 60.0° |
| O7 | C28 | C29 | H30 | 140.1° | 175.0° |
| O7 | C28 | C29 | H31 | 101.1° | 55.0° |
| N7 | C33 | N6 | H36 | 180.0° | 179.7° |
| N7 | C33 | N6 | C32 | 179.9° | 180.0° |
| N7 | C33 | N6 | C37 | 0.1° | 0.0° |
| C33 | N7 | C34 | C37 | 0.3° | 0.0° |
| C33 | N7 | C34 | C35 | 179.7° | 180.0° |
| N6 | C33 | N7 | C34 | 0.2° | 0.0° |
| C33 | N6 | C32 | C37 | 180.0° | 180.0° |
| C33 | N6 | C32 | O15 | 72.8° | 23.6° |
| C33 | N6 | C37 | C34 | 0.2° | 0.0° |
| C33 | N6 | C37 | N10 | 179.5° | 179.9° |
| C33 | N6 | C32 | H35 | 167.0° | 146.5° |
| O17 | C39 | C31 | H39 | 128.3° | 122.7° |
| O17 | C39 | C31 | C30 | 157.0° | 119.9° |
| O17 | C39 | C31 | O15 | 86.1° | 120.7° |
| O17 | C39 | C31 | H34 | 32.2° | 1.2° |
| O17 | C39 | C38 | H38 | 173.0° | 144.0° |
| C39 | C31 | O15 | C32 | 7.0° | 26.5° |
| C39 | C31 | C30 | O15 | 115.7° | 117.9° |
| C39 | C31 | C30 | H34 | 124.6° | 121.1° |
| C39 | C31 | C30 | O14 | 86.3° | 175.7° |
| C39 | C31 | O15 | H34 | 117.5° | 119.5° |
| C39 | C31 | C30 | H32 | 33.8° | 55.6° |
| C39 | C31 | C30 | H33 | 153.6° | 64.3° |
| C31 | C39 | C38 | H38 | 72.8° | 97.3° |
| C31 | C39 | O17 | H46 | 71.9° | 176.1° |
| C28 | C29 | O8 | H30 | 120.6° | 120.0° |
| C28 | C29 | O8 | H31 | 120.6° | 120.0° |
| C28 | C29 | O8 | P1 | 173.9° | 180.0° |
| C29 | C28 | C27 | H28 | 61.8° | 60.0° |
| C28 | C29 | H30 | H31 | 118.1° | 120.0° |
| C29 | C28 | O7 | H49 | 58.6° | 60.0° |
| N7 | C34 | C37 | N6 | 0.4° | 0.0° |
| N7 | C34 | C37 | C35 | 179.5° | 180.0° |
| N7 | C34 | C37 | N10 | 179.4° | 180.0° |
| N7 | C34 | C35 | N8 | 0.3° | 0.0° |
| N7 | C34 | C35 | N9 | 179.9° | 180.0° |
| C34 | N7 | C33 | H36 | 179.8° | 179.7° |
| O12 | P2 | O11 | O14 | 113.8° | 120.0° |
| O12 | P2 | O14 | C30 | 148.7° | 65.0° |
| O12 | P2 | O11 | P1 | 26.4° | 80.0° |
| O11 | P2 | O14 | C30 | 98.3° | 175.0° |
| P2 | O11 | P1 | O8 | 63.0° | 165.0° |
| P2 | O11 | P1 | O10 | 41.2° | 45.0° |
| P2 | O11 | P1 | O9 | 169.3° | 75.0° |
| O11 | P2 | O12 | H44 | 120.9° | 59.9° |
| P2 | O14 | C30 | C31 | 139.8° | 180.0° |
| O14 | P2 | O11 | P1 | 87.4° | 160.0° |
| P2 | O14 | C30 | H32 | 19.7° | 60.0° |
| P2 | O14 | C30 | H33 | 100.1° | 59.9° |
| O14 | P2 | O12 | H44 | 128.5° | 60.1° |
| N6 | C32 | O15 | H35 | 120.2° | 122.8° |
| C32 | N6 | C37 | C34 | 179.7° | 180.0° |
| C32 | N6 | C37 | N10 | 0.5° | 0.0° |
| N6 | C32 | O15 | C31 | 161.5° | 158.7° |
| C32 | N6 | C33 | H36 | 0.1° | 0.3° |
| N6 | C32 | C38 | H38 | 51.8° | 37.4° |
| C37 | N6 | C32 | O15 | 107.2° | 156.4° |
| N6 | C37 | C34 | N10 | 179.8° | 180.0° |
| N6 | C37 | C34 | C35 | 179.9° | 180.0° |
| N6 | C37 | N10 | C36 | 179.4° | 179.9° |
| C37 | N6 | C32 | H35 | 13.0° | 33.6° |
| C37 | N6 | C33 | H36 | 179.9° | 179.8° |
| C32 | O15 | C31 | C30 | 130.3° | 145.9° |
| C32 | O15 | C31 | H34 | 110.5° | 93.1° |
| O15 | C32 | C38 | H38 | 66.7° | 81.2° |
| C37 | C34 | C35 | N8 | 179.1° | 180.0° |
| C37 | C34 | C35 | N9 | 0.7° | 0.0° |
| C34 | C37 | N10 | C36 | 0.8° | 0.0° |
| C35 | C34 | C37 | N10 | 0.1° | 0.0° |
| C34 | C35 | N8 | N9 | 179.8° | 180.0° |
| C34 | C35 | N9 | C36 | 0.7° | 0.1° |
| C34 | C35 | N8 | H41 | 179.9° | 0.0° |
| C34 | C35 | N8 | H42 | 60.2° | 180.0° |
| C29 | O8 | P1 | O11 | 96.6° | 175.0° |
| C29 | O8 | P1 | O10 | 154.9° | 55.0° |
| C29 | O8 | P1 | O9 | 29.2° | 65.0° |
| O8 | C29 | C28 | H29 | 101.8° | 55.0° |
| O8 | C29 | H30 | H31 | 118.1° | 120.0° |
| C37 | N10 | C36 | N9 | 0.9° | 0.1° |
| C37 | N10 | C36 | H37 | 179.1° | 180.0° |
| N8 | C35 | N9 | C36 | 179.1° | 179.9° |
| C35 | N8 | H41 | H42 | 120.0° | 180.0° |
| C31 | C30 | O14 | H32 | 120.1° | 120.0° |
| C31 | C30 | O14 | H33 | 120.1° | 120.0° |
| C30 | C31 | O15 | H34 | 119.2° | 121.0° |
| C31 | C30 | H32 | H33 | 119.8° | 120.0° |
| C30 | C31 | C39 | H39 | 28.7° | 2.8° |
| O14 | C30 | C31 | O15 | 158.0° | 66.4° |
| O14 | C30 | H32 | H33 | 119.8° | 120.0° |
| O14 | C30 | C31 | H34 | 38.3° | 54.6° |
| O15 | C31 | C30 | H32 | 81.9° | 173.5° |
| O15 | C31 | C30 | H33 | 38.0° | 53.6° |
| C31 | O15 | C32 | H35 | 78.3° | 78.5° |
| O15 | C31 | C39 | H39 | 145.6° | 116.7° |
| C35 | N9 | C36 | N10 | 0.1° | 0.1° |
| C35 | N9 | C36 | H37 | 179.8° | 180.0° |
| N9 | C35 | N8 | H41 | 0.0° | 180.0° |
| N9 | C35 | N8 | H42 | 120.0° | 0.0° |
| O11 | P1 | O8 | O10 | 108.5° | 120.0° |
| O11 | P1 | O8 | O9 | 125.8° | 120.0° |
| O11 | P1 | O10 | O9 | 124.8° | 120.0° |
| O11 | P1 | O9 | H50 | 121.0° | 59.9° |
| O8 | P1 | O10 | O9 | 124.3° | 120.0° |
| P1 | O8 | C29 | H30 | 65.5° | 60.0° |
| P1 | O8 | C29 | H31 | 53.3° | 60.0° |
| O8 | P1 | O9 | H50 | 115.4° | 60.0° |
| N10 | C36 | N9 | H37 | 180.0° | 179.9° |
| O10 | P1 | O9 | H50 | 0.0° | 179.9° |
| H1 | C14 | C13 | H10 | 0.1° | 0.3° |
| H1 | C14 | C15 | H16 | 0.7° | 0.0° |
| H3 | C11 | C10 | H8 | 57.8° | 121.7° |
| H3 | C11 | C10 | H9 | 177.8° | 0.5° |
| H4 | C8 | H5 | H6 | 120.0° | 120.1° |
| H7 | C9 | C10 | H8 | 71.5° | 24.2° |
| H7 | C9 | C10 | H9 | 53.0° | 98.0° |
| H7 | C9 | O1 | H43 | 146.4° | 61.2° |
| H13 | C1 | H14 | H15 | 120.0° | 120.0° |
| H17 | C18 | H18 | H19 | 120.0° | 119.9° |
| H20 | C19 | H21 | H22 | 120.0° | 120.0° |
| H25 | C25 | C26 | H27 | 47.3° | NaN° |
| H26 | C25 | C26 | H27 | 166.2° | 60.0° |
| H27 | C26 | C27 | H28 | 157.9° | 180.0° |
| H27 | C26 | O5 | H47 | 58.5° | 180.0° |
| H28 | C27 | C28 | H29 | 178.4° | 180.0° |
| H28 | C27 | O6 | H48 | 60.1° | 180.0° |
| H29 | C28 | C29 | H30 | 18.8° | 65.0° |
| H29 | C28 | C29 | H31 | 137.6° | 175.0° |
| H29 | C28 | O7 | H49 | 62.0° | 179.9° |
| H32 | C30 | C31 | H34 | 158.4° | 65.5° |
| H33 | C30 | C31 | H34 | 81.8° | 174.6° |
| H34 | C31 | C39 | H39 | 96.1° | 123.9° |
| H35 | C32 | C38 | H38 | 176.9° | 160.3° |
| H38 | C38 | C39 | H39 | 47.4° | 21.3° |
| H38 | C38 | O16 | H45 | 51.1° | 62.2° |
| H39 | C39 | O17 | H46 | 55.4° | 61.2° |
