Y66
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| O2 | C11 | sing | 1.43Å | 1.39Å | |
| C11 | C10 | sing | 1.55Å | 1.51Å | |
| C11 | N4 | sing | 1.49Å | 1.43Å | |
| C10 | C9 | sing | 1.54Å | 1.52Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | N4 | sing | 1.40Å | 1.35Å | |
| C12 | C19 | doub | 1.39Å | 1.36Å | Aromatic |
| N4 | C38 | sing | 1.48Å | 1.45Å | |
| O17 | C37 | doub | 1.21Å | 1.21Å | |
| C9 | C38 | sing | 1.54Å | 1.56Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | N5 | sing | 1.40Å | 1.41Å | |
| C38 | C37 | sing | 1.50Å | 1.50Å | |
| C38 | C35 | sing | 1.50Å | 1.50Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | N12 | sing | 1.34Å | 1.33Å | |
| C8 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| N5 | C35 | sing | 1.36Å | 1.34Å | |
| N5 | C20 | sing | 1.47Å | 1.48Å | |
| C35 | N11 | doub | 1.31Å | 1.28Å | |
| N12 | C36 | sing | 1.34Å | 1.35Å | |
| C5 | C40 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.48Å | |
| O3 | C21 | sing | 1.43Å | 1.37Å | |
| O1 | C4 | doub | 1.22Å | 1.22Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| N11 | C36 | sing | 1.34Å | 1.29Å | |
| C36 | O16 | doub | 1.22Å | 1.20Å | |
| C4 | N3 | sing | 1.35Å | 1.35Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| O14 | C33 | sing | 1.43Å | 1.40Å | |
| N2 | C3 | doub | 1.30Å | 1.28Å | Aromatic |
| N2 | N1 | sing | 1.26Å | 1.38Å | Aromatic |
| N3 | C3 | sing | 1.39Å | 1.33Å | |
| C3 | S1 | sing | 1.76Å | 1.68Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | O4 | sing | 1.43Å | 1.37Å | |
| C33 | C34 | sing | 1.55Å | 1.52Å | |
| C33 | C27 | sing | 1.55Å | 1.51Å | |
| O10 | P2 | doub | 1.48Å | 1.45Å | |
| N1 | C2 | doub | 1.29Å | 1.28Å | Aromatic |
| C23 | O5 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| S1 | C2 | sing | 1.76Å | 1.71Å | Aromatic |
| C34 | O15 | sing | 1.43Å | 1.42Å | |
| C34 | C26 | sing | 1.54Å | 1.53Å | |
| C28 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C28 | N6 | sing | 1.36Å | 1.36Å | Aromatic |
| N7 | C29 | sing | 1.35Å | 1.37Å | Aromatic |
| O11 | P2 | sing | 1.61Å | 1.45Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| P2 | O12 | sing | 1.61Å | 1.54Å | |
| P2 | O9 | sing | 1.61Å | 1.55Å | |
| N6 | C27 | sing | 1.47Å | 1.44Å | |
| N6 | C32 | sing | 1.37Å | 1.35Å | Aromatic |
| C27 | O13 | sing | 1.44Å | 1.39Å | |
| C29 | C32 | doub | 1.40Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.39Å | Aromatic |
| C24 | O6 | sing | 1.43Å | 1.44Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| C25 | O12 | sing | 1.43Å | 1.41Å | |
| C32 | N10 | sing | 1.33Å | 1.33Å | Aromatic |
| N8 | C30 | sing | 1.38Å | 1.32Å | |
| C26 | O13 | sing | 1.44Å | 1.43Å | |
| C30 | N9 | doub | 1.33Å | 1.34Å | Aromatic |
| O6 | P1 | sing | 1.61Å | 1.57Å | |
| O9 | P1 | sing | 1.61Å | 1.56Å | |
| N10 | C31 | doub | 1.32Å | 1.32Å | Aromatic |
| N9 | C31 | sing | 1.32Å | 1.33Å | Aromatic |
| P1 | O7 | doub | 1.48Å | 1.46Å | |
| P1 | O8 | sing | 1.61Å | 1.46Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | H35 | sing | 1.08Å | 1.08Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| N12 | H42 | sing | 0.97Å | 1.00Å | |
| N8 | H43 | sing | 0.97Å | 1.00Å | |
| N8 | H44 | sing | 0.97Å | 1.00Å | |
| O11 | H45 | sing | 0.97Å | 0.95Å | |
| O14 | H46 | sing | 0.97Å | 0.95Å | |
| O15 | H47 | sing | 0.97Å | 0.95Å | |
| O2 | H48 | sing | 0.97Å | 0.95Å | |
| O3 | H49 | sing | 0.97Å | 0.95Å | |
| O4 | H50 | sing | 0.97Å | 0.95Å | |
| O5 | H51 | sing | 0.97Å | 0.95Å | |
| O8 | H52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 120.3° | 119.9° |
| C15 | C14 | C16 | 120.8° | 119.9° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H16 | 109.4° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| C13 | C14 | C16 | 118.9° | 120.3° |
| C14 | C13 | C12 | 120.1° | 120.2° |
| C14 | C13 | H7 | 119.9° | 119.9° |
| C14 | C16 | C17 | 119.5° | 120.0° |
| C14 | C16 | C18 | 119.7° | 120.0° |
| C13 | C12 | N4 | 116.4° | 118.4° |
| C13 | C12 | C19 | 121.9° | 119.4° |
| C12 | C13 | H7 | 120.0° | 119.9° |
| O2 | C11 | C10 | 110.6° | 110.5° |
| O2 | C11 | N4 | 105.3° | 110.4° |
| O2 | C11 | H2 | 113.6° | 110.5° |
| C11 | O2 | H48 | 109.5° | 114.0° |
| C10 | C11 | N4 | 102.2° | 104.1° |
| C11 | C10 | C9 | 97.6° | 105.0° |
| C10 | C11 | H2 | 111.6° | 110.5° |
| C11 | C10 | H5 | 112.4° | 110.3° |
| C11 | C10 | H6 | 112.3° | 110.3° |
| C11 | N4 | C12 | 112.5° | 107.7° |
| C11 | N4 | C38 | 107.1° | 103.4° |
| N4 | C11 | H2 | 112.8° | 110.5° |
| C10 | C9 | C38 | 105.0° | 104.5° |
| C10 | C9 | C8 | 114.1° | 110.4° |
| C10 | C9 | H4 | 104.2° | 110.5° |
| C9 | C10 | H5 | 112.4° | 110.4° |
| C9 | C10 | H6 | 112.4° | 110.4° |
| C17 | C16 | C18 | 120.8° | 120.0° |
| C16 | C17 | H18 | 109.5° | 109.4° |
| C16 | C17 | H19 | 109.4° | 109.5° |
| C16 | C17 | H20 | 109.4° | 109.5° |
| C16 | C18 | C19 | 120.3° | 120.1° |
| C16 | C18 | H21 | 119.8° | 120.0° |
| N4 | C12 | C19 | 121.6° | 122.3° |
| C12 | N4 | C38 | 122.2° | 111.9° |
| C12 | C19 | C18 | 119.0° | 120.1° |
| C12 | C19 | N5 | 118.6° | 120.5° |
| N4 | C38 | C9 | 102.5° | 104.8° |
| N4 | C38 | C37 | 105.8° | 110.4° |
| N4 | C38 | C35 | 110.5° | 111.4° |
| O17 | C37 | C38 | 122.2° | 119.7° |
| O17 | C37 | N12 | 121.4° | 119.7° |
| C38 | C9 | C8 | 123.4° | 110.4° |
| C9 | C38 | C37 | 106.2° | 108.7° |
| C9 | C38 | C35 | 125.1° | 110.5° |
| C38 | C9 | H4 | 103.8° | 110.4° |
| C9 | C8 | C7 | 119.1° | 119.9° |
| C9 | C8 | C39 | 121.6° | 119.8° |
| C8 | C9 | H4 | 104.3° | 110.4° |
| C18 | C19 | N5 | 122.3° | 119.4° |
| C19 | C18 | H21 | 119.8° | 119.9° |
| C19 | N5 | C35 | 121.3° | 118.2° |
| C19 | N5 | C20 | 120.0° | 120.9° |
| C37 | C38 | C35 | 105.4° | 110.9° |
| C38 | C37 | N12 | 116.4° | 120.6° |
| C38 | C35 | N5 | 121.5° | 118.9° |
| C38 | C35 | N11 | 121.0° | 121.4° |
| C8 | C7 | C6 | 120.4° | 120.2° |
| C7 | C8 | C39 | 119.2° | 120.3° |
| C8 | C7 | H3 | 119.8° | 119.9° |
| C7 | C6 | C5 | 120.3° | 119.8° |
| C7 | C6 | H1 | 119.9° | 120.1° |
| C6 | C7 | H3 | 119.8° | 120.0° |
| C37 | N12 | C36 | 121.3° | 121.1° |
| C37 | N12 | H42 | 119.3° | 119.4° |
| C8 | C39 | C40 | 120.4° | 120.1° |
| C8 | C39 | H39 | 119.8° | 119.9° |
| C6 | C5 | C40 | 119.6° | 119.7° |
| C6 | C5 | C4 | 120.7° | 120.1° |
| C5 | C6 | H1 | 119.9° | 120.1° |
| C39 | C40 | C5 | 120.1° | 119.8° |
| C40 | C39 | H39 | 119.8° | 119.9° |
| C39 | C40 | H40 | 119.9° | 120.1° |
| C35 | N5 | C20 | 118.6° | 120.9° |
| N5 | C35 | N11 | 117.5° | 119.6° |
| N5 | C20 | C21 | 115.2° | 109.5° |
| N5 | C20 | H23 | 108.0° | 109.4° |
| N5 | C20 | H24 | 108.0° | 109.5° |
| C35 | N11 | C36 | 118.4° | 122.3° |
| N12 | C36 | N11 | 123.0° | 121.8° |
| N12 | C36 | O16 | 118.0° | 119.0° |
| C36 | N12 | H42 | 119.4° | 119.5° |
| C40 | C5 | C4 | 119.8° | 120.1° |
| C5 | C40 | H40 | 120.0° | 120.1° |
| C5 | C4 | O1 | 121.9° | 120.0° |
| C5 | C4 | N3 | 116.6° | 120.0° |
| O3 | C21 | C20 | 106.7° | 109.5° |
| O3 | C21 | C22 | 107.3° | 109.5° |
| O3 | C21 | H25 | 112.3° | 109.4° |
| C21 | O3 | H49 | 109.5° | 114.0° |
| O1 | C4 | N3 | 121.5° | 120.0° |
| C20 | C21 | C22 | 110.3° | 109.4° |
| C21 | C20 | H23 | 108.0° | 109.5° |
| C21 | C20 | H24 | 108.0° | 109.5° |
| C20 | C21 | H25 | 110.2° | 109.5° |
| N11 | C36 | O16 | 118.9° | 119.2° |
| C4 | N3 | C3 | 127.4° | 120.0° |
| C4 | N3 | H11 | 116.3° | 120.0° |
| C21 | C22 | C23 | 116.5° | 109.4° |
| C21 | C22 | O4 | 107.8° | 109.5° |
| C22 | C21 | H25 | 109.9° | 109.5° |
| C21 | C22 | H26 | 108.2° | 109.5° |
| O14 | C33 | C34 | 110.8° | 110.9° |
| O14 | C33 | C27 | 110.5° | 110.9° |
| O14 | C33 | H36 | 113.9° | 110.8° |
| C33 | O14 | H46 | 109.5° | 114.0° |
| C3 | N2 | N1 | 109.9° | 117.6° |
| N2 | C3 | N3 | 122.8° | 126.1° |
| N2 | C3 | S1 | 113.2° | 107.7° |
| N2 | N1 | C2 | 111.3° | 117.9° |
| N3 | C3 | S1 | 123.8° | 126.2° |
| C3 | N3 | H11 | 116.3° | 120.0° |
| C3 | S1 | C2 | 85.1° | 88.9° |
| C23 | C22 | O4 | 105.7° | 109.5° |
| C22 | C23 | O5 | 108.6° | 109.5° |
| C22 | C23 | C24 | 112.0° | 109.5° |
| C23 | C22 | H26 | 108.3° | 109.5° |
| C22 | C23 | H27 | 109.1° | 109.5° |
| O4 | C22 | H26 | 110.3° | 109.5° |
| C22 | O4 | H50 | 109.5° | 114.0° |
| C34 | C33 | C27 | 96.3° | 102.1° |
| C33 | C34 | O15 | 106.0° | 110.5° |
| C33 | C34 | C26 | 100.9° | 104.2° |
| C34 | C33 | H36 | 111.9° | 110.9° |
| C33 | C34 | H37 | 112.8° | 110.4° |
| C33 | C27 | N6 | 116.7° | 110.8° |
| C33 | C27 | O13 | 102.8° | 103.5° |
| C33 | C27 | H33 | 108.6° | 110.7° |
| C27 | C33 | H36 | 112.1° | 110.9° |
| O10 | P2 | O11 | 122.5° | 109.5° |
| O10 | P2 | O12 | 108.3° | 109.5° |
| O10 | P2 | O9 | 110.0° | 109.5° |
| N1 | C2 | S1 | 113.0° | 107.8° |
| N1 | C2 | C1 | 124.1° | 126.1° |
| O5 | C23 | C24 | 107.2° | 109.5° |
| O5 | C23 | H27 | 110.6° | 109.5° |
| C23 | O5 | H51 | 109.5° | 114.0° |
| C23 | C24 | O6 | 112.8° | 109.5° |
| C24 | C23 | H27 | 109.3° | 109.4° |
| C23 | C24 | H28 | 108.6° | 109.4° |
| C23 | C24 | H29 | 108.7° | 109.5° |
| S1 | C2 | C1 | 122.9° | 126.1° |
| O15 | C34 | C26 | 108.9° | 110.5° |
| O15 | C34 | H37 | 114.5° | 110.6° |
| C34 | O15 | H47 | 109.5° | 114.0° |
| C34 | C26 | C25 | 115.7° | 109.8° |
| C34 | C26 | O13 | 105.0° | 107.3° |
| C34 | C26 | H32 | 109.1° | 110.0° |
| C26 | C34 | H37 | 112.7° | 110.5° |
| N7 | C28 | N6 | 113.6° | 109.9° |
| C28 | N7 | C29 | 103.7° | 109.4° |
| N7 | C28 | H34 | 123.2° | 125.0° |
| C28 | N6 | C27 | 128.7° | 126.2° |
| C28 | N6 | C32 | 106.2° | 107.5° |
| N6 | C28 | H34 | 123.2° | 125.1° |
| N7 | C29 | C32 | 110.9° | 107.2° |
| N7 | C29 | C30 | 132.3° | 134.7° |
| O11 | P2 | O12 | 108.2° | 109.5° |
| O11 | P2 | O9 | 106.6° | 109.5° |
| P2 | O11 | H45 | 109.5° | 114.0° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| O12 | P2 | O9 | 98.7° | 109.4° |
| P2 | O12 | C25 | 115.3° | 123.0° |
| P2 | O9 | P1 | 132.7° | 134.0° |
| C27 | N6 | C32 | 125.1° | 126.3° |
| N6 | C27 | O13 | 108.9° | 110.6° |
| N6 | C27 | H33 | 109.4° | 110.5° |
| N6 | C32 | C29 | 105.6° | 106.0° |
| N6 | C32 | N10 | 127.3° | 134.9° |
| C27 | O13 | C26 | 107.1° | 107.0° |
| O13 | C27 | H33 | 110.2° | 110.6° |
| C32 | C29 | C30 | 116.8° | 118.1° |
| C29 | C32 | N10 | 127.1° | 119.1° |
| C29 | C30 | N8 | 123.5° | 120.8° |
| C29 | C30 | N9 | 117.7° | 118.5° |
| C24 | O6 | P1 | 118.2° | 123.0° |
| O6 | C24 | H28 | 108.6° | 109.5° |
| O6 | C24 | H29 | 108.6° | 109.6° |
| C26 | C25 | O12 | 107.7° | 109.5° |
| C25 | C26 | O13 | 106.8° | 109.9° |
| C26 | C25 | H30 | 109.9° | 109.5° |
| C26 | C25 | H31 | 109.9° | 109.5° |
| C25 | C26 | H32 | 109.6° | 109.9° |
| O12 | C25 | H30 | 109.9° | 109.5° |
| O12 | C25 | H31 | 109.9° | 109.4° |
| C32 | N10 | C31 | 110.7° | 120.7° |
| N8 | C30 | N9 | 118.7° | 120.8° |
| C30 | N8 | H43 | 109.5° | 120.0° |
| C30 | N8 | H44 | 109.5° | 120.0° |
| O13 | C26 | H32 | 110.4° | 109.9° |
| C30 | N9 | C31 | 118.7° | 121.2° |
| O6 | P1 | O9 | 101.3° | 109.5° |
| O6 | P1 | O7 | 110.1° | 109.4° |
| O6 | P1 | O8 | 108.2° | 109.5° |
| O9 | P1 | O7 | 104.4° | 109.5° |
| O9 | P1 | O8 | 112.8° | 109.5° |
| N10 | C31 | N9 | 129.0° | 122.4° |
| N10 | C31 | H35 | 115.5° | 118.8° |
| N9 | C31 | H35 | 115.5° | 118.7° |
| O7 | P1 | O8 | 118.6° | 109.5° |
| P1 | O8 | H52 | 109.5° | 114.0° |
| H5 | C10 | H6 | 109.5° | 110.4° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H20 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.5° |
| H28 | C24 | H29 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H43 | N8 | H44 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | C16 | 179.6° | 179.8° |
| C15 | C14 | C13 | C12 | 179.3° | 179.8° |
| C15 | C14 | C16 | C17 | 0.4° | 0.1° |
| C15 | C14 | C16 | C18 | 179.7° | 179.8° |
| C15 | C14 | C13 | H7 | 0.8° | 0.2° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.0° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C13 | C14 | C16 | C17 | 180.0° | 180.0° |
| C13 | C14 | C16 | C18 | 0.8° | 0.0° |
| C14 | C13 | C12 | N4 | 179.2° | 179.7° |
| C14 | C13 | C12 | C19 | 1.6° | 0.1° |
| C13 | C14 | C15 | H15 | 89.8° | 90.0° |
| C13 | C14 | C15 | H16 | 150.2° | 150.0° |
| C13 | C14 | C15 | H17 | 30.2° | 30.0° |
| C16 | C14 | C13 | C12 | 1.2° | 0.1° |
| C14 | C16 | C17 | C18 | 179.3° | 180.0° |
| C14 | C16 | C18 | C19 | 0.7° | 0.0° |
| C16 | C14 | C13 | H7 | 178.8° | 180.0° |
| C16 | C14 | C15 | H15 | 89.8° | 89.8° |
| C16 | C14 | C15 | H16 | 30.2° | 30.2° |
| C16 | C14 | C15 | H17 | 150.2° | 150.2° |
| C14 | C16 | C17 | H18 | 90.4° | 90.0° |
| C14 | C16 | C17 | H19 | 149.6° | 150.0° |
| C14 | C16 | C17 | H20 | 29.6° | 30.0° |
| C14 | C16 | C18 | H21 | 179.3° | 180.0° |
| C13 | C12 | N4 | C11 | 36.0° | 39.9° |
| C13 | C12 | N4 | C19 | 177.6° | 179.9° |
| C13 | C12 | N4 | C38 | 165.6° | 152.9° |
| C13 | C12 | C19 | C18 | 1.6° | 0.1° |
| C13 | C12 | C19 | N5 | 179.7° | 179.7° |
| O2 | C11 | C10 | N4 | 111.7° | 118.6° |
| O2 | C11 | C10 | H2 | 127.5° | 122.7° |
| O2 | C11 | N4 | H2 | 124.4° | 122.6° |
| O2 | C11 | C10 | C9 | 62.2° | 94.2° |
| O2 | C11 | N4 | C12 | 153.1° | 163.9° |
| O2 | C11 | N4 | C38 | 70.0° | 77.6° |
| O2 | C11 | C10 | H5 | 55.9° | 24.7° |
| O2 | C11 | C10 | H6 | 179.8° | 146.9° |
| C10 | C11 | N4 | H2 | 120.0° | 118.7° |
| C11 | C10 | C9 | H5 | 118.0° | 118.9° |
| C11 | C10 | C9 | H6 | 118.0° | 118.9° |
| C10 | C11 | N4 | C12 | 91.3° | 77.5° |
| C10 | C11 | N4 | C38 | 45.6° | 41.1° |
| C11 | C10 | C9 | C38 | 36.3° | 0.6° |
| C11 | C10 | C9 | C8 | 174.4° | 118.2° |
| C11 | C10 | C9 | H4 | 72.5° | 119.4° |
| C11 | C10 | H5 | H6 | 125.5° | 122.2° |
| C10 | C11 | O2 | H48 | 99.3° | 61.5° |
| N4 | C11 | C10 | C9 | 49.5° | 24.4° |
| C11 | N4 | C12 | C38 | 129.6° | 113.0° |
| C11 | N4 | C12 | C19 | 146.4° | 140.2° |
| C11 | N4 | C38 | C9 | 20.8° | 41.7° |
| C11 | N4 | C38 | C37 | 90.4° | 75.2° |
| C11 | N4 | C38 | C35 | 156.1° | 161.1° |
| N4 | C11 | C10 | H5 | 167.5° | 143.3° |
| N4 | C11 | C10 | H6 | 68.5° | 94.5° |
| N4 | C11 | O2 | H48 | 10.3° | 176.2° |
| C10 | C9 | C38 | N4 | 11.2° | 25.7° |
| C10 | C9 | C38 | C8 | 133.1° | 118.7° |
| C10 | C9 | C38 | H4 | 109.1° | 118.9° |
| C10 | C9 | C8 | H4 | 113.1° | 122.5° |
| C10 | C9 | C38 | C37 | 121.9° | 92.3° |
| C10 | C9 | C38 | C35 | 115.2° | 145.8° |
| C10 | C9 | C8 | C7 | 31.1° | 20.9° |
| C10 | C9 | C8 | C39 | 146.4° | 159.1° |
| C9 | C10 | C11 | H2 | 170.3° | 143.1° |
| C9 | C10 | H5 | H6 | 125.6° | 122.3° |
| C17 | C16 | C18 | C19 | 180.0° | 180.0° |
| C16 | C17 | H18 | H19 | 120.0° | 120.0° |
| C16 | C17 | H18 | H20 | 120.0° | 120.0° |
| C16 | C17 | H19 | H20 | 120.0° | 120.0° |
| C17 | C16 | C18 | H21 | 0.0° | 0.1° |
| C16 | C18 | C19 | C12 | 1.1° | 0.1° |
| C16 | C18 | C19 | H21 | 180.0° | 180.0° |
| C16 | C18 | C19 | N5 | 179.8° | 179.8° |
| C18 | C16 | C17 | H18 | 90.4° | 90.0° |
| C18 | C16 | C17 | H19 | 29.6° | 30.0° |
| C18 | C16 | C17 | H20 | 149.6° | 150.0° |
| C12 | N4 | C38 | C9 | 111.1° | 74.0° |
| N4 | C12 | C19 | C18 | 179.0° | 179.7° |
| N4 | C12 | C19 | N5 | 2.3° | 0.4° |
| C12 | N4 | C38 | C37 | 137.8° | 169.2° |
| C12 | N4 | C38 | C35 | 24.2° | 45.5° |
| C12 | N4 | C11 | H2 | 28.7° | 41.2° |
| N4 | C12 | C13 | H7 | 0.8° | 0.2° |
| C19 | C12 | N4 | C38 | 16.8° | 27.3° |
| C12 | C19 | C18 | N5 | 178.7° | 179.9° |
| C12 | C19 | N5 | C35 | 1.8° | 6.0° |
| C12 | C19 | N5 | C20 | 177.7° | 173.9° |
| C19 | C12 | C13 | H7 | 178.4° | 179.9° |
| C12 | C19 | C18 | H21 | 178.9° | 179.9° |
| N4 | C38 | C37 | O17 | 26.6° | 43.7° |
| N4 | C38 | C9 | C37 | 110.8° | 118.0° |
| N4 | C38 | C9 | C35 | 126.4° | 120.1° |
| N4 | C38 | C9 | C8 | 144.2° | 93.0° |
| N4 | C38 | C37 | C35 | 117.0° | 123.9° |
| N4 | C38 | C37 | N12 | 153.8° | 136.2° |
| N4 | C38 | C35 | N5 | 19.9° | 42.1° |
| N4 | C38 | C35 | N11 | 156.9° | 137.1° |
| C38 | N4 | C11 | H2 | 165.6° | 159.8° |
| N4 | C38 | C9 | H4 | 97.9° | 144.6° |
| O17 | C37 | C38 | C9 | 81.8° | 70.7° |
| O17 | C37 | C38 | N12 | 179.6° | 179.9° |
| O17 | C37 | C38 | C35 | 143.7° | 167.7° |
| O17 | C37 | N12 | C36 | 160.2° | 177.5° |
| O17 | C37 | N12 | H42 | 19.8° | 2.7° |
| C38 | C9 | C8 | H4 | 117.6° | 122.4° |
| C9 | C38 | C37 | C35 | 134.5° | 121.7° |
| C38 | C9 | C8 | C7 | 98.3° | 94.2° |
| C9 | C38 | C37 | N12 | 97.7° | 109.5° |
| C38 | C9 | C8 | C39 | 84.2° | 85.8° |
| C9 | C38 | C35 | N5 | 103.1° | 73.9° |
| C9 | C38 | C35 | N11 | 80.1° | 106.9° |
| C38 | C9 | C10 | H5 | 154.3° | 118.3° |
| C38 | C9 | C10 | H6 | 81.7° | 119.4° |
| C8 | C9 | C38 | C37 | 105.0° | 149.0° |
| C8 | C9 | C38 | C35 | 17.8° | 27.1° |
| C9 | C8 | C7 | C39 | 177.6° | 180.0° |
| C9 | C8 | C7 | C6 | 179.6° | 180.0° |
| C9 | C8 | C39 | C40 | 179.8° | 179.9° |
| C9 | C8 | C7 | H3 | 0.4° | 0.0° |
| C8 | C9 | C10 | H5 | 67.6° | 122.9° |
| C8 | C9 | C10 | H6 | 56.4° | 0.7° |
| C9 | C8 | C39 | H39 | 0.2° | 0.1° |
| C18 | C19 | N5 | C35 | 176.9° | 173.8° |
| C18 | C19 | N5 | C20 | 1.0° | 6.2° |
| C19 | N5 | C35 | C38 | 8.2° | 15.8° |
| C19 | N5 | C35 | C20 | 176.0° | 179.9° |
| C19 | N5 | C35 | N11 | 168.8° | 163.4° |
| C19 | N5 | C20 | C21 | 48.9° | 90.0° |
| N5 | C19 | C18 | H21 | 0.2° | 0.2° |
| C19 | N5 | C20 | H23 | 169.8° | 30.0° |
| C19 | N5 | C20 | H24 | 71.9° | 150.0° |
| C37 | C38 | C35 | N5 | 133.7° | 165.5° |
| C37 | C38 | C35 | N11 | 43.1° | 13.8° |
| C38 | C37 | N12 | C36 | 20.2° | 2.4° |
| C37 | C38 | C9 | H4 | 12.8° | 26.6° |
| C38 | C37 | N12 | H42 | 159.8° | 177.4° |
| C35 | C38 | C37 | N12 | 36.7° | 12.2° |
| C38 | C35 | N5 | N11 | 177.0° | 179.3° |
| C38 | C35 | N5 | C20 | 167.8° | 164.2° |
| C38 | C35 | N11 | C36 | 29.1° | 5.3° |
| C35 | C38 | C9 | H4 | 135.6° | 95.3° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 2.3° | 0.0° |
| C7 | C8 | C39 | C40 | 2.3° | 0.1° |
| C8 | C7 | C6 | H1 | 177.7° | 179.9° |
| C7 | C8 | C9 | H4 | 144.2° | 143.4° |
| C7 | C8 | C39 | H39 | 177.7° | 180.0° |
| C6 | C7 | C8 | C39 | 2.8° | 0.1° |
| C7 | C6 | C5 | H1 | 180.0° | 179.9° |
| C7 | C6 | C5 | C40 | 1.1° | 0.0° |
| C7 | C6 | C5 | C4 | 179.4° | 179.7° |
| C37 | N12 | C36 | H42 | 180.0° | 179.9° |
| C37 | N12 | C36 | N11 | 1.6° | 7.8° |
| C37 | N12 | C36 | O16 | 177.6° | 172.2° |
| C8 | C39 | C40 | H39 | 180.0° | 179.9° |
| C8 | C39 | C40 | C5 | 1.1° | 0.1° |
| C39 | C8 | C7 | H3 | 177.2° | 180.0° |
| C39 | C8 | C9 | H4 | 33.4° | 36.6° |
| C8 | C39 | C40 | H40 | 178.9° | 179.7° |
| C6 | C5 | C40 | C39 | 0.5° | 0.0° |
| C6 | C5 | C40 | C4 | 179.4° | 179.7° |
| C6 | C5 | C4 | O1 | 14.1° | 180.0° |
| C6 | C5 | C4 | N3 | 163.2° | 0.3° |
| C5 | C6 | C7 | H3 | 177.7° | 179.9° |
| C6 | C5 | C40 | H40 | 179.5° | 179.7° |
| C39 | C40 | C5 | H40 | 180.0° | 179.6° |
| C39 | C40 | C5 | C4 | 180.0° | 179.7° |
| C35 | N5 | C20 | C21 | 135.0° | 89.9° |
| N5 | C35 | N11 | C36 | 147.9° | 173.9° |
| C35 | N5 | C20 | H23 | 14.2° | 150.1° |
| C35 | N5 | C20 | H24 | 104.2° | 30.1° |
| C20 | N5 | C35 | N11 | 15.2° | 16.5° |
| N5 | C20 | C21 | O3 | 37.2° | 65.0° |
| N5 | C20 | C21 | H23 | 120.8° | 119.9° |
| N5 | C20 | C21 | H24 | 120.8° | 120.0° |
| N5 | C20 | C21 | C22 | 153.5° | 175.0° |
| N5 | C20 | H23 | H24 | 117.4° | 120.0° |
| N5 | C20 | C21 | H25 | 85.0° | 55.0° |
| C35 | N11 | C36 | N12 | 5.5° | 6.4° |
| C35 | N11 | C36 | O16 | 173.7° | 173.6° |
| N12 | C36 | N11 | O16 | 179.2° | 180.0° |
| C40 | C5 | C4 | O1 | 166.4° | 0.3° |
| C40 | C5 | C4 | N3 | 16.2° | 180.0° |
| C40 | C5 | C6 | H1 | 178.9° | 179.9° |
| C5 | C40 | C39 | H39 | 178.9° | 179.9° |
| C5 | C4 | O1 | N3 | 177.2° | 179.7° |
| C5 | C4 | N3 | C3 | 125.6° | 180.0° |
| C4 | C5 | C6 | H1 | 0.6° | 0.4° |
| C5 | C4 | N3 | H11 | 54.4° | 0.1° |
| C4 | C5 | C40 | H40 | 0.0° | 0.0° |
| O3 | C21 | C20 | C22 | 116.3° | 120.0° |
| O3 | C21 | C20 | H25 | 122.2° | 120.0° |
| O3 | C21 | C22 | H25 | 122.4° | 120.0° |
| O3 | C21 | C22 | C23 | 59.8° | 60.0° |
| O3 | C21 | C22 | O4 | 178.4° | NaN° |
| O3 | C21 | C20 | H23 | 83.6° | 175.0° |
| O3 | C21 | C20 | H24 | 158.1° | 55.0° |
| O3 | C21 | C22 | H26 | 62.3° | 60.0° |
| O1 | C4 | N3 | C3 | 57.0° | 0.3° |
| O1 | C4 | N3 | H11 | 123.0° | 179.8° |
| C20 | C21 | C22 | H25 | 121.7° | 120.0° |
| C20 | C21 | C22 | C23 | 175.7° | 180.0° |
| C20 | C21 | C22 | O4 | 65.8° | 60.0° |
| C21 | C20 | H23 | H24 | 117.4° | 120.0° |
| C20 | C21 | C22 | H26 | 53.5° | 60.0° |
| C20 | C21 | O3 | H49 | 180.0° | 60.0° |
| N11 | C36 | N12 | H42 | 178.4° | 172.3° |
| O16 | C36 | N12 | H42 | 2.4° | 7.7° |
| C4 | N3 | C3 | N2 | 36.1° | 0.0° |
| C4 | N3 | C3 | H11 | 180.0° | 180.0° |
| C4 | N3 | C3 | S1 | 148.9° | 180.0° |
| C21 | C22 | C23 | O4 | 119.7° | 120.0° |
| C21 | C22 | C23 | H26 | 122.1° | 120.0° |
| C21 | C22 | O4 | H26 | 117.9° | 120.1° |
| C21 | C22 | C23 | O5 | 80.8° | 60.0° |
| C21 | C22 | C23 | C24 | 161.0° | 180.0° |
| C22 | C21 | C20 | H23 | 32.6° | 55.1° |
| C22 | C21 | C20 | H24 | 85.7° | 65.0° |
| C21 | C22 | C23 | H27 | 39.8° | 60.0° |
| C22 | C21 | O3 | H49 | 61.8° | 60.0° |
| C21 | C22 | O4 | H50 | 180.0° | 60.0° |
| O14 | C33 | C34 | C27 | 114.8° | 118.2° |
| O14 | C33 | C34 | H36 | 128.3° | 123.6° |
| O14 | C33 | C27 | H36 | 128.2° | 123.6° |
| O14 | C33 | C34 | O15 | 45.5° | 20.4° |
| O14 | C33 | C34 | C26 | 159.0° | 139.1° |
| O14 | C33 | C27 | N6 | 73.9° | 86.2° |
| O14 | C33 | C27 | O13 | 167.1° | 155.2° |
| O14 | C33 | C27 | H33 | 50.3° | 36.7° |
| O14 | C33 | C34 | H37 | 80.6° | 102.3° |
| N2 | C3 | N3 | S1 | 174.9° | 180.0° |
| C3 | N2 | N1 | C2 | 8.7° | 0.1° |
| N2 | C3 | S1 | C2 | 26.0° | 0.0° |
| N2 | C3 | N3 | H11 | 143.9° | 179.9° |
| N1 | N2 | C3 | N3 | 150.2° | 180.0° |
| N1 | N2 | C3 | S1 | 25.2° | 0.1° |
| N2 | N1 | C2 | S1 | 11.0° | 0.0° |
| N2 | N1 | C2 | C1 | 168.3° | 179.9° |
| N3 | C3 | S1 | C2 | 149.3° | 180.0° |
| C3 | S1 | C2 | N1 | 20.5° | 0.0° |
| C3 | S1 | C2 | C1 | 158.8° | 180.0° |
| S1 | C3 | N3 | H11 | 31.1° | 0.0° |
| C23 | C22 | O4 | H26 | 116.8° | 120.0° |
| C22 | C23 | O5 | C24 | 121.2° | 120.0° |
| C22 | C23 | O5 | H27 | 119.7° | 120.1° |
| C22 | C23 | C24 | H27 | 121.1° | 120.0° |
| C22 | C23 | C24 | O6 | 170.8° | 175.0° |
| C23 | C22 | C21 | H25 | 62.6° | 60.0° |
| C22 | C23 | C24 | H28 | 50.3° | 65.0° |
| C22 | C23 | C24 | H29 | 68.7° | 54.9° |
| C23 | C22 | O4 | H50 | 54.8° | 60.0° |
| C22 | C23 | O5 | H51 | 180.0° | 59.9° |
| O4 | C22 | C23 | O5 | 159.5° | 180.0° |
| O4 | C22 | C23 | C24 | 41.4° | 60.0° |
| O4 | C22 | C21 | H25 | 55.9° | 60.0° |
| O4 | C22 | C23 | H27 | 79.8° | 60.0° |
| C34 | C33 | C27 | H36 | 116.8° | 118.2° |
| C33 | C34 | O15 | C26 | 107.8° | 114.7° |
| C33 | C34 | O15 | H37 | 125.0° | 122.6° |
| C33 | C34 | C26 | H37 | 120.5° | 118.6° |
| C34 | C33 | C27 | N6 | 171.1° | 155.6° |
| C34 | C33 | C27 | O13 | 52.1° | 37.0° |
| C33 | C34 | C26 | C25 | 93.8° | 121.5° |
| C33 | C34 | C26 | O13 | 23.7° | 2.0° |
| C33 | C34 | C26 | H32 | 142.1° | 117.5° |
| C34 | C33 | C27 | H33 | 64.7° | 81.5° |
| C34 | C33 | O14 | H46 | 180.0° | 61.4° |
| C33 | C34 | O15 | H47 | 180.0° | 61.5° |
| C27 | C33 | C34 | O15 | 69.3° | 97.8° |
| C27 | C33 | C34 | C26 | 44.2° | 20.9° |
| C33 | C27 | N6 | C28 | 45.6° | 90.6° |
| C33 | C27 | N6 | O13 | 115.7° | 114.2° |
| C33 | C27 | N6 | H33 | 123.7° | 123.0° |
| C33 | C27 | N6 | C32 | 135.7° | 89.4° |
| C33 | C27 | O13 | H33 | 115.6° | 118.5° |
| C33 | C27 | O13 | C26 | 39.1° | 40.1° |
| C27 | C33 | C34 | H37 | 164.6° | 139.6° |
| C27 | C33 | O14 | H46 | 74.5° | 174.2° |
| O10 | P2 | O11 | O12 | 126.9° | 120.0° |
| O10 | P2 | O11 | O9 | 127.7° | 120.0° |
| O10 | P2 | O12 | O9 | 114.5° | 120.0° |
| O10 | P2 | O12 | C25 | 17.4° | 55.0° |
| O10 | P2 | O9 | P1 | 136.5° | 40.0° |
| O10 | P2 | O11 | H45 | 0.0° | 179.9° |
| N1 | C2 | S1 | C1 | 179.3° | 180.0° |
| N1 | C2 | C1 | H12 | 0.0° | 90.0° |
| N1 | C2 | C1 | H13 | 120.0° | 150.0° |
| N1 | C2 | C1 | H14 | 120.0° | 30.1° |
| O5 | C23 | C24 | H27 | 119.9° | 120.0° |
| O5 | C23 | C24 | O6 | 51.8° | 64.9° |
| O5 | C23 | C22 | H26 | 41.3° | 60.0° |
| O5 | C23 | C24 | H28 | 68.7° | 55.0° |
| O5 | C23 | C24 | H29 | 172.3° | 175.0° |
| C23 | C24 | O6 | H28 | 120.5° | 119.9° |
| C23 | C24 | O6 | H29 | 120.5° | 120.0° |
| C23 | C24 | O6 | P1 | 155.4° | 180.0° |
| C24 | C23 | C22 | H26 | 76.8° | 60.0° |
| C23 | C24 | H28 | H29 | 118.5° | 120.0° |
| C24 | C23 | O5 | H51 | 58.8° | 60.1° |
| S1 | C2 | C1 | H12 | 179.3° | 90.0° |
| S1 | C2 | C1 | H13 | 59.3° | 30.0° |
| S1 | C2 | C1 | H14 | 60.7° | 150.0° |
| O15 | C34 | C26 | H37 | 128.2° | 122.7° |
| O15 | C34 | C26 | C25 | 154.9° | 119.9° |
| O15 | C34 | C26 | O13 | 87.6° | 120.7° |
| O15 | C34 | C26 | H32 | 30.8° | 1.2° |
| O15 | C34 | C33 | H36 | 173.8° | 144.0° |
| C34 | C26 | O13 | C27 | 9.2° | 26.5° |
| C34 | C26 | C25 | O13 | 116.5° | 117.8° |
| C34 | C26 | C25 | H32 | 123.9° | 121.1° |
| C34 | C26 | C25 | O12 | 81.3° | 175.7° |
| C34 | C26 | O13 | H32 | 117.5° | 119.6° |
| C34 | C26 | C25 | H30 | 38.5° | 55.7° |
| C34 | C26 | C25 | H31 | 159.0° | 64.3° |
| C26 | C34 | C33 | H36 | 72.7° | 97.3° |
| C26 | C34 | O15 | H47 | 72.2° | 176.2° |
| N7 | C28 | N6 | H34 | 180.0° | 179.7° |
| N7 | C28 | N6 | C27 | 179.3° | 180.0° |
| N7 | C28 | N6 | C32 | 0.3° | 0.0° |
| C28 | N7 | C29 | C32 | 0.1° | 0.0° |
| C28 | N7 | C29 | C30 | 179.4° | 180.0° |
| N6 | C28 | N7 | C29 | 0.3° | 0.0° |
| C28 | N6 | C27 | C32 | 178.8° | 180.0° |
| C28 | N6 | C27 | O13 | 70.1° | 23.6° |
| C28 | N6 | C32 | C29 | 0.2° | 0.0° |
| C28 | N6 | C32 | N10 | 179.7° | 180.0° |
| C28 | N6 | C27 | H33 | 169.3° | 146.4° |
| N7 | C29 | C32 | N6 | 0.0° | 0.0° |
| N7 | C29 | C32 | C30 | 179.4° | 180.0° |
| N7 | C29 | C32 | N10 | 179.6° | 180.0° |
| N7 | C29 | C30 | N8 | 0.7° | 0.0° |
| N7 | C29 | C30 | N9 | 179.6° | 180.0° |
| C29 | N7 | C28 | H34 | 179.7° | 179.7° |
| O11 | P2 | O12 | O9 | 110.7° | 120.0° |
| O11 | P2 | O12 | C25 | 152.2° | 65.0° |
| O11 | P2 | O9 | P1 | 1.7° | 80.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 119.9° |
| P2 | O12 | C25 | C26 | 151.5° | 180.0° |
| O12 | P2 | O9 | P1 | 110.4° | 160.0° |
| P2 | O12 | C25 | H30 | 31.8° | 60.0° |
| P2 | O12 | C25 | H31 | 88.8° | 60.0° |
| O12 | P2 | O11 | H45 | 126.9° | 59.9° |
| O9 | P2 | O12 | C25 | 97.1° | 175.0° |
| P2 | O9 | P1 | O6 | 31.5° | 160.0° |
| P2 | O9 | P1 | O7 | 145.9° | 40.0° |
| P2 | O9 | P1 | O8 | 84.0° | 80.0° |
| O9 | P2 | O11 | H45 | 127.7° | 60.0° |
| N6 | C27 | O13 | H33 | 120.1° | 122.8° |
| C27 | N6 | C32 | C29 | 179.2° | 180.0° |
| C27 | N6 | C32 | N10 | 1.3° | 0.0° |
| N6 | C27 | O13 | C26 | 163.4° | 158.7° |
| C27 | N6 | C28 | H34 | 0.7° | 0.3° |
| N6 | C27 | C33 | H36 | 54.3° | 37.4° |
| C32 | N6 | C27 | O13 | 108.6° | 156.4° |
| N6 | C32 | C29 | N10 | 179.5° | 180.0° |
| N6 | C32 | C29 | C30 | 179.4° | 180.0° |
| N6 | C32 | N10 | C31 | 179.8° | 179.9° |
| C32 | N6 | C27 | H33 | 11.9° | 33.6° |
| C32 | N6 | C28 | H34 | 179.7° | 179.7° |
| C27 | O13 | C26 | C25 | 132.6° | 145.9° |
| C27 | O13 | C26 | H32 | 108.3° | 93.0° |
| O13 | C27 | C33 | H36 | 64.7° | 81.2° |
| C32 | C29 | C30 | N8 | 180.0° | 180.0° |
| C32 | C29 | C30 | N9 | 1.2° | 0.0° |
| C29 | C32 | N10 | C31 | 0.4° | 0.0° |
| C30 | C29 | C32 | N10 | 0.2° | 0.0° |
| C29 | C30 | N8 | N9 | 178.8° | 180.0° |
| C29 | C30 | N9 | C31 | 1.6° | 0.1° |
| C29 | C30 | N8 | H43 | 178.8° | 0.0° |
| C29 | C30 | N8 | H44 | 58.8° | 180.0° |
| C24 | O6 | P1 | O9 | 111.2° | 175.0° |
| C24 | O6 | P1 | O7 | 1.1° | 55.0° |
| C24 | O6 | P1 | O8 | 130.0° | 65.0° |
| O6 | C24 | C23 | H27 | 68.1° | 55.0° |
| O6 | C24 | H28 | H29 | 118.5° | 120.1° |
| C26 | C25 | O12 | H30 | 119.7° | 120.0° |
| C26 | C25 | O12 | H31 | 119.7° | 120.0° |
| C25 | C26 | O13 | H32 | 119.1° | 121.1° |
| C26 | C25 | H30 | H31 | 120.8° | 120.0° |
| C25 | C26 | C34 | H37 | 26.7° | 2.8° |
| O12 | C25 | C26 | O13 | 162.3° | 66.5° |
| O12 | C25 | H30 | H31 | 120.8° | 119.9° |
| O12 | C25 | C26 | H32 | 42.6° | 54.6° |
| C32 | N10 | C31 | N9 | 0.2° | 0.1° |
| C32 | N10 | C31 | H35 | 179.8° | 180.0° |
| N8 | C30 | N9 | C31 | 179.5° | 179.9° |
| C30 | N8 | H43 | H44 | 120.0° | 180.0° |
| O13 | C26 | C25 | H30 | 78.0° | 173.5° |
| O13 | C26 | C25 | H31 | 42.6° | 53.5° |
| C26 | O13 | C27 | H33 | 76.5° | 78.5° |
| O13 | C26 | C34 | H37 | 144.2° | 116.6° |
| C30 | N9 | C31 | N10 | 1.2° | 0.1° |
| C30 | N9 | C31 | H35 | 178.8° | 180.0° |
| N9 | C30 | N8 | H43 | 0.0° | 180.0° |
| N9 | C30 | N8 | H44 | 120.0° | 0.0° |
| O6 | P1 | O9 | O7 | 114.4° | 120.0° |
| O6 | P1 | O9 | O8 | 115.5° | 120.0° |
| O6 | P1 | O7 | O8 | 125.4° | 120.0° |
| P1 | O6 | C24 | H28 | 84.1° | 60.0° |
| P1 | O6 | C24 | H29 | 34.9° | 60.0° |
| O6 | P1 | O8 | H52 | 126.3° | 60.0° |
| O9 | P1 | O7 | O8 | 126.5° | 120.0° |
| O9 | P1 | O8 | H52 | 122.5° | 60.0° |
| N10 | C31 | N9 | H35 | 180.0° | 179.9° |
| O7 | P1 | O8 | H52 | 0.0° | 180.0° |
| H1 | C6 | C7 | H3 | 2.3° | 0.0° |
| H2 | C11 | C10 | H5 | 71.7° | 98.0° |
| H2 | C11 | C10 | H6 | 52.3° | 24.2° |
| H2 | C11 | O2 | H48 | 134.2° | 61.2° |
| H4 | C9 | C10 | H5 | 45.6° | 0.5° |
| H4 | C9 | C10 | H6 | 169.5° | 121.7° |
| H12 | C1 | H13 | H14 | 120.0° | 120.1° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H18 | C17 | H19 | H20 | 120.0° | 120.1° |
| H23 | C20 | C21 | H25 | 154.2° | 65.0° |
| H24 | C20 | C21 | H25 | 35.8° | 175.0° |
| H25 | C21 | C22 | H26 | 175.3° | 180.0° |
| H25 | C21 | O3 | H49 | 59.1° | 180.0° |
| H26 | C22 | C23 | H27 | 161.9° | 179.9° |
| H26 | C22 | O4 | H50 | 62.1° | 179.9° |
| H27 | C23 | C24 | H28 | 171.4° | 175.0° |
| H27 | C23 | C24 | H29 | 52.4° | 65.0° |
| H27 | C23 | O5 | H51 | 60.3° | 180.0° |
| H30 | C25 | C26 | H32 | 162.3° | 65.4° |
| H31 | C25 | C26 | H32 | 77.1° | 174.6° |
| H32 | C26 | C34 | H37 | 97.4° | 123.9° |
| H33 | C27 | C33 | H36 | 178.5° | 160.3° |
| H36 | C33 | C34 | H37 | 47.7° | 21.3° |
| H36 | C33 | O14 | H46 | 52.7° | 62.2° |
| H37 | C34 | O15 | H47 | 55.0° | 61.1° |
| H39 | C39 | C40 | H40 | 1.1° | 0.4° |
