PRD_002330
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.58Å | 1.45Å | |
| C1 | C3 | sing | 1.52Å | 1.58Å | |
| C1 | H3 | sing | 1.15Å | 1.10Å | |
| C2 | O1 | doub | 1.24Å | 1.23Å | |
| C3 | C4 | sing | 1.56Å | 1.49Å | |
| C3 | H4 | sing | 1.10Å | 1.10Å | |
| C3 | H5 | sing | 1.07Å | 1.10Å | |
| C4 | C5 | doub | 1.37Å | 1.32Å | Aromatic |
| C4 | C6 | sing | 1.41Å | 1.32Å | Aromatic |
| C5 | N2 | sing | 1.30Å | 1.32Å | Aromatic |
| C5 | H6 | sing | 1.09Å | 1.08Å | |
| C6 | C7 | doub | 1.45Å | 1.32Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.33Å | Aromatic |
| N2 | C7 | sing | 1.46Å | 1.33Å | Aromatic |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C7 | C9 | sing | 1.40Å | 1.29Å | Aromatic |
| C8 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.12Å | 1.08Å | |
| C9 | C11 | doub | 1.34Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C10 | H9 | sing | 1.01Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.08Å | |
| N3 | C12 | sing | 1.51Å | 1.53Å | |
| N3 | H11 | sing | 0.92Å | 1.00Å | |
| C12 | C13 | sing | 1.44Å | 1.42Å | |
| C12 | C14 | sing | 1.47Å | 1.51Å | |
| C12 | H12 | sing | 1.05Å | 1.10Å | |
| C13 | O2 | doub | 1.27Å | 1.23Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | O3 | doub | 1.21Å | 1.23Å | |
| C15 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| C21 | N6 | sing | 1.35Å | 1.33Å | Aromatic |
| C21 | C18 | doub | 1.32Å | 1.32Å | Aromatic |
| N6 | C19 | sing | 1.38Å | 1.33Å | Aromatic |
| O5 | C20 | sing | 1.44Å | 1.41Å | |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| C18 | C22 | sing | 1.49Å | 1.32Å | Aromatic |
| C19 | C26 | doub | 1.45Å | 1.33Å | Aromatic |
| C19 | C22 | sing | 1.37Å | 1.33Å | Aromatic |
| C26 | C25 | sing | 1.42Å | 1.39Å | Aromatic |
| C20 | C17 | sing | 1.51Å | 1.65Å | |
| C22 | C23 | doub | 1.44Å | 1.33Å | Aromatic |
| C17 | N5 | sing | 1.45Å | 1.53Å | |
| C17 | C16 | sing | 1.44Å | 1.41Å | |
| C25 | C24 | doub | 1.44Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.31Å | 1.36Å | Aromatic |
| C16 | O4 | doub | 1.23Å | 1.23Å | |
| C17 | H17 | sing | 1.06Å | 1.10Å | |
| C20 | H18 | sing | 1.16Å | 1.10Å | |
| C21 | H19 | sing | 1.07Å | 1.08Å | |
| C23 | H20 | sing | 1.07Å | 1.08Å | |
| C24 | H21 | sing | 1.06Å | 1.08Å | |
| C26 | H22 | sing | 1.04Å | 1.08Å | |
| N5 | H23 | sing | 0.96Å | 1.00Å | |
| N6 | H24 | sing | 1.00Å | 1.00Å | |
| N7 | C27 | sing | 1.49Å | 1.50Å | |
| N7 | H25 | sing | 0.99Å | 1.00Å | |
| C27 | C28 | sing | 1.42Å | 1.40Å | |
| C27 | C29 | sing | 1.54Å | 1.51Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | O6 | doub | 1.20Å | 1.23Å | |
| C29 | O7 | sing | 1.43Å | 1.43Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| O7 | H29 | sing | 0.97Å | 0.95Å | |
| N8 | C30 | sing | 1.47Å | 1.53Å | |
| N8 | H30 | sing | 0.99Å | 1.00Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C32 | sing | 1.54Å | 1.60Å | |
| C30 | H31 | sing | 1.14Å | 1.10Å | |
| C31 | O8 | doub | 1.21Å | 1.23Å | |
| C32 | C33 | sing | 1.50Å | 1.54Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | N9 | sing | 1.47Å | 1.47Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| N9 | H39 | sing | 1.01Å | 1.00Å | |
| N9 | H40 | sing | 1.01Å | 1.00Å | |
| N9 | H41 | sing | 1.01Å | 1.00Å | |
| N10 | C36 | sing | 1.47Å | 1.47Å | |
| N10 | H42 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.52Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | O9 | doub | 1.21Å | 1.23Å | |
| C38 | O10 | sing | 1.43Å | 1.42Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| O10 | H46 | sing | 0.97Å | 0.95Å | |
| N11 | C39 | sing | 1.46Å | 1.46Å | |
| N11 | H47 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C39 | C41 | sing | 1.53Å | 1.54Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | O11 | doub | 1.21Å | 1.25Å | |
| C40 | O12 | sing | 1.34Å | 1.25Å | |
| C41 | C42 | sing | 1.51Å | 1.53Å | |
| C41 | H49 | sing | 1.09Å | 1.10Å | |
| C41 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | H51 | sing | 1.08Å | 1.08Å | |
| C44 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | H52 | sing | 1.08Å | 1.08Å | |
| C45 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| C45 | H53 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | H54 | sing | 1.08Å | 1.08Å | |
| C47 | H55 | sing | 1.08Å | 1.08Å | |
| O12 | H56 | sing | 0.97Å | 0.95Å | |
| C2 | N3 | sing | 1.34Å | 1.45Å | |
| C9 | O5 | sing | 1.36Å | 1.36Å | |
| C13 | N5 | sing | 1.42Å | 1.42Å | |
| C16 | N7 | sing | 1.38Å | 1.42Å | |
| C25 | C32 | sing | 1.45Å | 1.36Å | |
| C28 | N8 | sing | 1.35Å | 1.43Å | |
| C31 | N10 | sing | 1.35Å | 1.34Å | |
| C37 | N11 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 107.0° | 112.7° |
| N1 | C1 | C3 | 110.3° | 112.0° |
| N1 | C1 | H3 | 107.5° | 110.4° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 117.7° | 108.6° |
| C2 | C1 | H3 | 107.8° | 104.0° |
| C1 | C2 | O1 | 120.7° | 115.1° |
| C1 | C2 | N3 | 119.8° | 121.4° |
| C3 | C1 | H3 | 106.1° | 109.0° |
| C1 | C3 | C4 | 97.2° | 109.9° |
| C1 | C3 | H4 | 112.4° | 107.8° |
| C1 | C3 | H5 | 112.4° | 112.1° |
| O1 | C2 | N3 | 119.5° | 123.6° |
| C4 | C3 | H4 | 112.4° | 106.6° |
| C4 | C3 | H5 | 112.5° | 111.5° |
| C3 | C4 | C5 | 133.2° | 124.0° |
| C3 | C4 | C6 | 116.5° | 125.4° |
| H4 | C3 | H5 | 109.5° | 108.6° |
| C5 | C4 | C6 | 109.7° | 110.5° |
| C4 | C5 | N2 | 106.7° | 108.3° |
| C4 | C5 | H6 | 126.7° | 122.5° |
| C4 | C6 | C7 | 106.7° | 105.8° |
| C4 | C6 | C8 | 130.5° | 140.4° |
| N2 | C5 | H6 | 126.7° | 128.6° |
| C5 | N2 | C7 | 107.9° | 111.9° |
| C5 | N2 | H7 | 126.1° | 123.9° |
| C7 | C6 | C8 | 122.6° | 113.8° |
| C6 | C7 | N2 | 108.2° | 103.1° |
| C6 | C7 | C9 | 119.1° | 122.6° |
| C6 | C8 | C10 | 120.1° | 124.0° |
| C6 | C8 | H8 | 119.9° | 117.8° |
| C7 | N2 | H7 | 126.0° | 123.4° |
| N2 | C7 | C9 | 128.9° | 134.2° |
| C7 | C9 | C11 | 119.0° | 118.8° |
| C7 | C9 | O5 | 114.7° | 117.2° |
| C10 | C8 | H8 | 120.0° | 117.6° |
| C8 | C10 | C11 | 116.6° | 119.0° |
| C8 | C10 | H9 | 121.7° | 120.5° |
| C9 | C11 | C10 | 119.6° | 121.4° |
| C9 | C11 | H10 | 120.2° | 120.5° |
| C11 | C9 | O5 | 123.8° | 123.9° |
| C11 | C10 | H9 | 121.7° | 120.2° |
| C10 | C11 | H10 | 120.2° | 117.7° |
| C12 | N3 | H11 | 114.9° | 122.3° |
| N3 | C12 | C13 | 110.0° | 107.7° |
| N3 | C12 | C14 | 112.0° | 106.3° |
| N3 | C12 | H12 | 108.4° | 106.7° |
| C12 | N3 | C2 | 130.2° | 118.4° |
| H11 | N3 | C2 | 114.9° | 119.2° |
| C13 | C12 | C14 | 107.9° | 110.5° |
| C13 | C12 | H12 | 109.9° | 113.3° |
| C12 | C13 | O2 | 119.5° | 122.5° |
| C12 | C13 | N5 | 121.9° | 122.0° |
| C14 | C12 | H12 | 108.6° | 112.0° |
| C12 | C14 | C15 | 109.1° | 109.4° |
| C12 | C14 | H13 | 109.5° | 109.5° |
| C12 | C14 | H14 | 109.6° | 109.4° |
| O2 | C13 | N5 | 118.5° | 115.4° |
| C15 | C14 | H13 | 109.6° | 109.5° |
| C15 | C14 | H14 | 109.6° | 109.5° |
| C14 | C15 | O3 | 120.8° | 120.1° |
| C14 | C15 | N4 | 115.4° | 119.9° |
| H13 | C14 | H14 | 109.4° | 109.5° |
| O3 | C15 | N4 | 123.8° | 120.0° |
| C15 | N4 | H15 | 120.0° | 120.0° |
| C15 | N4 | H16 | 120.0° | 120.0° |
| H15 | N4 | H16 | 120.0° | 120.0° |
| N6 | C21 | C18 | 107.7° | 112.7° |
| C21 | N6 | C19 | 108.3° | 107.1° |
| N6 | C21 | H19 | 126.2° | 123.3° |
| C21 | N6 | H24 | 125.8° | 125.0° |
| C21 | C18 | C20 | 134.0° | 130.8° |
| C21 | C18 | C22 | 108.1° | 105.2° |
| C18 | C21 | H19 | 126.2° | 123.3° |
| N6 | C19 | C26 | 132.3° | 129.6° |
| N6 | C19 | C22 | 107.2° | 109.0° |
| C19 | N6 | H24 | 125.9° | 127.5° |
| O5 | C20 | C18 | 111.2° | 106.4° |
| O5 | C20 | C17 | 92.9° | 116.9° |
| O5 | C20 | H18 | 117.3° | 107.3° |
| C20 | O5 | C9 | 113.0° | 120.0° |
| C20 | C18 | C22 | 117.8° | 123.9° |
| C18 | C20 | C17 | 104.0° | 111.6° |
| C18 | C20 | H18 | 115.5° | 104.1° |
| C18 | C22 | C19 | 108.6° | 104.7° |
| C18 | C22 | C23 | 129.4° | 136.9° |
| C26 | C19 | C22 | 120.4° | 121.4° |
| C19 | C26 | C25 | 119.2° | 117.8° |
| C19 | C26 | H22 | 120.4° | 120.2° |
| C19 | C22 | C23 | 122.0° | 118.1° |
| C26 | C25 | C24 | 120.0° | 117.1° |
| C25 | C26 | H22 | 120.4° | 121.5° |
| C26 | C25 | C32 | 124.3° | 118.9° |
| C20 | C17 | N5 | 117.0° | 108.1° |
| C20 | C17 | C16 | 117.7° | 110.6° |
| C20 | C17 | H17 | 102.1° | 111.1° |
| C17 | C20 | H18 | 113.1° | 109.6° |
| C22 | C23 | C24 | 120.8° | 118.9° |
| C22 | C23 | H20 | 119.6° | 120.6° |
| N5 | C17 | C16 | 110.3° | 106.0° |
| N5 | C17 | H17 | 103.0° | 108.4° |
| C17 | N5 | H23 | 117.3° | 129.0° |
| C17 | N5 | C13 | 125.3° | 117.6° |
| C17 | C16 | O4 | 120.6° | 122.4° |
| C16 | C17 | H17 | 104.2° | 112.3° |
| C17 | C16 | N7 | 120.0° | 123.6° |
| C25 | C24 | C23 | 117.6° | 123.7° |
| C25 | C24 | H21 | 121.2° | 116.7° |
| C24 | C25 | C32 | 115.6° | 124.0° |
| C24 | C23 | H20 | 119.6° | 119.8° |
| C23 | C24 | H21 | 121.2° | 118.7° |
| O4 | C16 | N7 | 119.5° | 113.8° |
| H23 | N5 | C13 | 117.4° | 113.3° |
| C27 | N7 | H25 | 117.9° | 112.8° |
| N7 | C27 | C28 | 104.3° | 111.9° |
| N7 | C27 | C29 | 110.3° | 107.4° |
| N7 | C27 | H26 | 110.2° | 106.2° |
| C27 | N7 | C16 | 124.2° | 129.7° |
| H25 | N7 | C16 | 117.9° | 117.4° |
| C28 | C27 | C29 | 110.1° | 112.9° |
| C28 | C27 | H26 | 111.8° | 110.5° |
| C27 | C28 | O6 | 116.5° | 116.1° |
| C27 | C28 | N8 | 126.3° | 127.1° |
| C29 | C27 | H26 | 110.0° | 107.6° |
| C27 | C29 | O7 | 109.8° | 109.5° |
| C27 | C29 | H27 | 109.4° | 109.5° |
| C27 | C29 | H28 | 109.4° | 109.5° |
| O6 | C28 | N8 | 116.7° | 116.7° |
| O7 | C29 | H27 | 109.4° | 109.4° |
| O7 | C29 | H28 | 109.4° | 109.5° |
| C29 | O7 | H29 | 109.5° | 114.0° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| C30 | N8 | H30 | 119.3° | 116.4° |
| N8 | C30 | C31 | 108.9° | 111.4° |
| N8 | C30 | C32 | 114.9° | 110.8° |
| N8 | C30 | H31 | 105.6° | 108.2° |
| C30 | N8 | C28 | 121.3° | 128.5° |
| H30 | N8 | C28 | 119.4° | 115.0° |
| C31 | C30 | C32 | 116.0° | 107.7° |
| C31 | C30 | H31 | 105.6° | 106.6° |
| C30 | C31 | O8 | 122.4° | 120.0° |
| C30 | C31 | N10 | 112.2° | 120.0° |
| C32 | C30 | H31 | 104.9° | 112.1° |
| C30 | C32 | C33 | 115.9° | 105.8° |
| C30 | C32 | H32 | 107.2° | 109.6° |
| C30 | C32 | C25 | 100.5° | 107.3° |
| O8 | C31 | N10 | 125.3° | 120.0° |
| C33 | C32 | H32 | 107.9° | 110.4° |
| C32 | C33 | C34 | 115.0° | 109.5° |
| C32 | C33 | H33 | 108.1° | 109.5° |
| C32 | C33 | H34 | 108.1° | 109.5° |
| C33 | C32 | C25 | 114.7° | 109.1° |
| H32 | C32 | C25 | 110.3° | 114.2° |
| C34 | C33 | H33 | 108.1° | 109.5° |
| C34 | C33 | H34 | 108.1° | 109.5° |
| C33 | C34 | C35 | 108.6° | 109.5° |
| C33 | C34 | H35 | 109.7° | 109.5° |
| C33 | C34 | H36 | 109.7° | 109.5° |
| H33 | C33 | H34 | 109.5° | 109.4° |
| C35 | C34 | H35 | 109.7° | 109.4° |
| C35 | C34 | H36 | 109.7° | 109.4° |
| C34 | C35 | N9 | 110.4° | 109.5° |
| C34 | C35 | H37 | 109.2° | 109.5° |
| C34 | C35 | H38 | 109.2° | 109.5° |
| H35 | C34 | H36 | 109.5° | 109.5° |
| N9 | C35 | H37 | 109.2° | 109.5° |
| N9 | C35 | H38 | 109.3° | 109.5° |
| C35 | N9 | H39 | 109.5° | 109.5° |
| C35 | N9 | H40 | 109.5° | 109.5° |
| C35 | N9 | H41 | 109.5° | 109.4° |
| H37 | C35 | H38 | 109.4° | 109.4° |
| H39 | N9 | H40 | 109.4° | 109.5° |
| H39 | N9 | H41 | 109.4° | 109.5° |
| H40 | N9 | H41 | 109.5° | 109.5° |
| C36 | N10 | H42 | 117.6° | 120.0° |
| N10 | C36 | C37 | 112.8° | 109.5° |
| N10 | C36 | C38 | 108.1° | 109.5° |
| N10 | C36 | H43 | 109.9° | 109.5° |
| C36 | N10 | C31 | 124.8° | 120.0° |
| H42 | N10 | C31 | 117.6° | 120.0° |
| C37 | C36 | C38 | 107.6° | 109.5° |
| C37 | C36 | H43 | 109.2° | 109.5° |
| C36 | C37 | O9 | 120.7° | 120.0° |
| C36 | C37 | N11 | 115.6° | 120.0° |
| C38 | C36 | H43 | 109.1° | 109.5° |
| C36 | C38 | O10 | 109.6° | 109.5° |
| C36 | C38 | H44 | 109.4° | 109.5° |
| C36 | C38 | H45 | 109.4° | 109.5° |
| O9 | C37 | N11 | 123.7° | 120.0° |
| O10 | C38 | H44 | 109.4° | 109.5° |
| O10 | C38 | H45 | 109.4° | 109.4° |
| C38 | O10 | H46 | 109.5° | 114.1° |
| H44 | C38 | H45 | 109.5° | 109.5° |
| C39 | N11 | H47 | 120.2° | 120.1° |
| N11 | C39 | C40 | 107.7° | 109.5° |
| N11 | C39 | C41 | 112.0° | 109.5° |
| N11 | C39 | H48 | 109.7° | 109.4° |
| C39 | N11 | C37 | 119.7° | 120.0° |
| H47 | N11 | C37 | 120.2° | 120.0° |
| C40 | C39 | C41 | 109.6° | 109.5° |
| C40 | C39 | H48 | 108.9° | 109.5° |
| C39 | C40 | O11 | 117.2° | 120.0° |
| C39 | C40 | O12 | 116.6° | 120.0° |
| C41 | C39 | H48 | 108.8° | 109.5° |
| C39 | C41 | C42 | 113.2° | 109.4° |
| C39 | C41 | H49 | 108.5° | 109.5° |
| C39 | C41 | H50 | 108.5° | 109.5° |
| O11 | C40 | O12 | 126.2° | 120.0° |
| C40 | O12 | H56 | 109.5° | 117.0° |
| C42 | C41 | H49 | 108.5° | 109.5° |
| C42 | C41 | H50 | 108.5° | 109.5° |
| C41 | C42 | C43 | 119.4° | 120.0° |
| C41 | C42 | C44 | 121.0° | 120.0° |
| H49 | C41 | H50 | 109.4° | 109.5° |
| C43 | C42 | C44 | 119.5° | 120.0° |
| C42 | C43 | C45 | 120.6° | 120.0° |
| C42 | C43 | H51 | 119.7° | 120.0° |
| C42 | C44 | C46 | 120.0° | 120.0° |
| C42 | C44 | H52 | 120.0° | 120.0° |
| C45 | C43 | H51 | 119.7° | 120.0° |
| C43 | C45 | C47 | 119.8° | 120.0° |
| C43 | C45 | H53 | 120.1° | 120.0° |
| C46 | C44 | H52 | 120.0° | 120.0° |
| C44 | C46 | C47 | 120.2° | 120.0° |
| C44 | C46 | H54 | 119.9° | 120.0° |
| C47 | C45 | H53 | 120.1° | 120.0° |
| C45 | C47 | C46 | 119.8° | 120.0° |
| C45 | C47 | H55 | 120.1° | 120.0° |
| C47 | C46 | H54 | 119.9° | 120.0° |
| C46 | C47 | H55 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C1 | C2 | C3 | 124.8° | 124.6° |
| N1 | C1 | C2 | H3 | 115.4° | 119.5° |
| N1 | C1 | C3 | H3 | 116.2° | 122.4° |
| N1 | C1 | C2 | O1 | 33.0° | 30.7° |
| N1 | C1 | C3 | C4 | 177.2° | 146.7° |
| N1 | C1 | C3 | H4 | 59.2° | 97.4° |
| N1 | C1 | C3 | H5 | 64.9° | 22.1° |
| N1 | C1 | C2 | N3 | 145.9° | 149.6° |
| H1 | N1 | C1 | C2 | 180.0° | 60.0° |
| H1 | N1 | C1 | C3 | 50.8° | 177.3° |
| H1 | N1 | C1 | H3 | 64.5° | 55.7° |
| H2 | N1 | C1 | C2 | 60.0° | 64.0° |
| H2 | N1 | C1 | C3 | 170.9° | 58.8° |
| H2 | N1 | C1 | H3 | 55.6° | 179.7° |
| C2 | C1 | C3 | H3 | 120.7° | 112.6° |
| C1 | C2 | O1 | N3 | 178.9° | 179.7° |
| C2 | C1 | C3 | C4 | 59.7° | 21.7° |
| C2 | C1 | C3 | H4 | 177.7° | 137.6° |
| C2 | C1 | C3 | H5 | 58.2° | 102.9° |
| C1 | C2 | N3 | C12 | 180.0° | 169.1° |
| C1 | C2 | N3 | H11 | 0.0° | 7.5° |
| C3 | C1 | C2 | O1 | 91.7° | 93.9° |
| C1 | C3 | C4 | H4 | 117.9° | 116.6° |
| C1 | C3 | C4 | H5 | 117.9° | 125.0° |
| C1 | C3 | H4 | H5 | 125.7° | 121.7° |
| C1 | C3 | C4 | C5 | 77.3° | 80.2° |
| C1 | C3 | C4 | C6 | 92.6° | 94.9° |
| C3 | C1 | C2 | N3 | 89.4° | 85.8° |
| H3 | C1 | C2 | O1 | 148.4° | 150.2° |
| H3 | C1 | C3 | C4 | 61.0° | 90.9° |
| H3 | C1 | C3 | H4 | 56.9° | 25.0° |
| H3 | C1 | C3 | H5 | 178.9° | 144.5° |
| H3 | C1 | C2 | N3 | 30.5° | 30.1° |
| O1 | C2 | N3 | C12 | 1.1° | 10.6° |
| O1 | C2 | N3 | H11 | 178.9° | 172.9° |
| C4 | C3 | H4 | H5 | 125.8° | 120.3° |
| C3 | C4 | C5 | C6 | 170.4° | 175.7° |
| C3 | C4 | C5 | N2 | 173.0° | 179.1° |
| C3 | C4 | C5 | H6 | 7.0° | 7.2° |
| C3 | C4 | C6 | C7 | 179.6° | 176.8° |
| C3 | C4 | C6 | C8 | 6.2° | 1.5° |
| H4 | C3 | C4 | C5 | 40.6° | 163.2° |
| H4 | C3 | C4 | C6 | 149.5° | 21.7° |
| H5 | C3 | C4 | C5 | 164.8° | 44.8° |
| H5 | C3 | C4 | C6 | 25.3° | 140.1° |
| C4 | C5 | N2 | H6 | 180.0° | 171.2° |
| C5 | C4 | C6 | C7 | 7.4° | 1.2° |
| C5 | C4 | C6 | C8 | 178.4° | 177.1° |
| C4 | C5 | N2 | C7 | 3.3° | 7.2° |
| C4 | C5 | N2 | H7 | 176.7° | 177.6° |
| C6 | C4 | C5 | N2 | 2.5° | 5.3° |
| C6 | C4 | C5 | H6 | 177.5° | 177.1° |
| C4 | C6 | C7 | C8 | 174.7° | 178.8° |
| C4 | C6 | C7 | N2 | 9.3° | 2.8° |
| C4 | C6 | C7 | C9 | 169.6° | 179.0° |
| C4 | C6 | C8 | C10 | 178.5° | 175.4° |
| C4 | C6 | C8 | H8 | 1.5° | 4.0° |
| C5 | N2 | C7 | C6 | 7.9° | 6.3° |
| C5 | N2 | C7 | H7 | 180.0° | 170.4° |
| C5 | N2 | C7 | C9 | 165.6° | 178.2° |
| H6 | C5 | N2 | C7 | 176.7° | 178.4° |
| H6 | C5 | N2 | H7 | 3.3° | 11.2° |
| C6 | C7 | N2 | C9 | 157.7° | 175.5° |
| C6 | C7 | N2 | H7 | 172.1° | 176.7° |
| C7 | C6 | C8 | C10 | 5.1° | 6.4° |
| C7 | C6 | C8 | H8 | 174.9° | 177.7° |
| C6 | C7 | C9 | C11 | 20.9° | 2.4° |
| C6 | C7 | C9 | O5 | 176.4° | 179.7° |
| C8 | C6 | C7 | N2 | 175.9° | 178.4° |
| C8 | C6 | C7 | C9 | 15.7° | 2.2° |
| C6 | C8 | C10 | H8 | 180.0° | 171.4° |
| C6 | C8 | C10 | C11 | 0.7° | 5.8° |
| C6 | C8 | C10 | H9 | 179.3° | 179.8° |
| N2 | C7 | C9 | C11 | 176.5° | 172.4° |
| N2 | C7 | C9 | O5 | 20.7° | 4.9° |
| H7 | N2 | C7 | C9 | 14.4° | 7.7° |
| C7 | C9 | C11 | O5 | 161.1° | 177.1° |
| C7 | C9 | C11 | C10 | 16.7° | 3.3° |
| C7 | C9 | C11 | H10 | 163.3° | 175.9° |
| C7 | C9 | O5 | C20 | 179.6° | 104.5° |
| C8 | C10 | C11 | C9 | 6.3° | 0.6° |
| C8 | C10 | C11 | H9 | 180.0° | 174.4° |
| C8 | C10 | C11 | H10 | 173.7° | 172.2° |
| H8 | C8 | C10 | C11 | 179.3° | 177.2° |
| H8 | C8 | C10 | H9 | 0.7° | 8.4° |
| C9 | C11 | C10 | H10 | 180.0° | 172.8° |
| C9 | C11 | C10 | H9 | 173.7° | 175.0° |
| C11 | C9 | O5 | C20 | 18.6° | 78.4° |
| C10 | C11 | C9 | O5 | 177.7° | 179.7° |
| H9 | C10 | C11 | H10 | 6.3° | 2.2° |
| H10 | C11 | C9 | O5 | 2.3° | 7.1° |
| C12 | N3 | H11 | C2 | 180.0° | 176.4° |
| N3 | C12 | C13 | C14 | 122.4° | 115.6° |
| N3 | C12 | C13 | H12 | 119.3° | 117.7° |
| N3 | C12 | C14 | H12 | 119.7° | 116.2° |
| N3 | C12 | C13 | O2 | 73.1° | 70.0° |
| N3 | C12 | C14 | C15 | 179.4° | 173.9° |
| N3 | C12 | C14 | H13 | 59.4° | 54.0° |
| N3 | C12 | C14 | H14 | 60.6° | 66.1° |
| N3 | C12 | C13 | N5 | 102.0° | 107.9° |
| H11 | N3 | C12 | C13 | 31.4° | 22.0° |
| H11 | N3 | C12 | C14 | 88.5° | 96.4° |
| H11 | N3 | C12 | H12 | 151.7° | 143.9° |
| C13 | C12 | C14 | H12 | 119.1° | 127.3° |
| C12 | C13 | O2 | N5 | 175.3° | 178.0° |
| C13 | C12 | C14 | C15 | 59.5° | 69.5° |
| C13 | C12 | C14 | H13 | 179.5° | 170.5° |
| C13 | C12 | C14 | H14 | 60.5° | 50.4° |
| C12 | C13 | N5 | C17 | 180.0° | 179.5° |
| C12 | C13 | N5 | H23 | 0.0° | 2.3° |
| C13 | C12 | N3 | C2 | 148.6° | 154.4° |
| C14 | C12 | C13 | O2 | 49.3° | 45.6° |
| C12 | C14 | C15 | H13 | 119.9° | 120.0° |
| C12 | C14 | C15 | H14 | 120.0° | 119.9° |
| C12 | C14 | H13 | H14 | 120.1° | 120.0° |
| C12 | C14 | C15 | O3 | 101.2° | 6.0° |
| C12 | C14 | C15 | N4 | 78.9° | 174.0° |
| C14 | C12 | N3 | C2 | 91.5° | 87.2° |
| C14 | C12 | C13 | N5 | 135.6° | 136.5° |
| H12 | C12 | C13 | O2 | 167.6° | 172.2° |
| H12 | C12 | C14 | C15 | 59.7° | 57.8° |
| H12 | C12 | C14 | H13 | 60.3° | 62.2° |
| H12 | C12 | C14 | H14 | 179.6° | 177.7° |
| H12 | C12 | N3 | C2 | 28.4° | 32.5° |
| H12 | C12 | C13 | N5 | 17.3° | 9.9° |
| O2 | C13 | N5 | C17 | 4.9° | 1.5° |
| O2 | C13 | N5 | H23 | 175.1° | 179.7° |
| C15 | C14 | H13 | H14 | 120.2° | 120.1° |
| C14 | C15 | O3 | N4 | 179.9° | 180.0° |
| C14 | C15 | N4 | H15 | 179.9° | 0.1° |
| C14 | C15 | N4 | H16 | 0.1° | 180.0° |
| H13 | C14 | C15 | O3 | 138.9° | 114.0° |
| H13 | C14 | C15 | N4 | 41.0° | 66.0° |
| H14 | C14 | C15 | O3 | 18.8° | 125.9° |
| H14 | C14 | C15 | N4 | 161.1° | 54.1° |
| O3 | C15 | N4 | H15 | 0.0° | 180.0° |
| O3 | C15 | N4 | H16 | 180.0° | 0.0° |
| C15 | N4 | H15 | H16 | 180.0° | 180.0° |
| N6 | C21 | C18 | H19 | 180.0° | 170.8° |
| C21 | N6 | C19 | H24 | 180.0° | 173.1° |
| N6 | C21 | C18 | C20 | 179.5° | 170.9° |
| N6 | C21 | C18 | C22 | 2.0° | 5.5° |
| C21 | N6 | C19 | C26 | 178.9° | 175.0° |
| C21 | N6 | C19 | C22 | 0.7° | 8.8° |
| C18 | C21 | N6 | C19 | 0.8° | 1.6° |
| C21 | C18 | C20 | O5 | 3.0° | 63.1° |
| C21 | C18 | C20 | C22 | 178.4° | 175.9° |
| C21 | C18 | C22 | C19 | 2.5° | 10.5° |
| C21 | C18 | C20 | C17 | 101.7° | 168.3° |
| C21 | C18 | C22 | C23 | 180.0° | 162.0° |
| C21 | C18 | C20 | H18 | 133.8° | 50.1° |
| C18 | C21 | N6 | H24 | 179.2° | 171.7° |
| N6 | C19 | C22 | C18 | 2.0° | 11.7° |
| N6 | C19 | C26 | C22 | 178.0° | 175.8° |
| N6 | C19 | C26 | C25 | 179.7° | 176.2° |
| N6 | C19 | C22 | C23 | 179.7° | 162.5° |
| C19 | N6 | C21 | H19 | 179.2° | 169.2° |
| N6 | C19 | C26 | H22 | 0.3° | 12.1° |
| O5 | C20 | C18 | C17 | 98.8° | 128.6° |
| O5 | C20 | C18 | H18 | 136.8° | 113.2° |
| O5 | C20 | C18 | C22 | 178.6° | 121.0° |
| O5 | C20 | C17 | H18 | 121.4° | 122.3° |
| O5 | C20 | C17 | N5 | 52.3° | 48.9° |
| O5 | C20 | C17 | C16 | 172.6° | 164.5° |
| O5 | C20 | C17 | H17 | 59.3° | 70.0° |
| C20 | C18 | C22 | C19 | 178.7° | 166.3° |
| C18 | C20 | C17 | H18 | 126.0° | 114.9° |
| C20 | C18 | C22 | C23 | 1.3° | 21.3° |
| C18 | C20 | C17 | N5 | 164.9° | 171.7° |
| C18 | C20 | C17 | C16 | 60.0° | 72.7° |
| C18 | C20 | C17 | H17 | 53.3° | 52.8° |
| C20 | C18 | C21 | H19 | 0.5° | 0.1° |
| C18 | C20 | O5 | C9 | 174.2° | 99.1° |
| C18 | C22 | C19 | C26 | 179.5° | 171.7° |
| C18 | C22 | C19 | C23 | 177.7° | 174.2° |
| C22 | C18 | C20 | C17 | 79.9° | 7.5° |
| C18 | C22 | C23 | C24 | 178.0° | 167.2° |
| C22 | C18 | C20 | H18 | 44.5° | 125.8° |
| C22 | C18 | C21 | H19 | 178.0° | 176.4° |
| C18 | C22 | C23 | H20 | 2.0° | 3.2° |
| C19 | C26 | C25 | H22 | 180.0° | 171.6° |
| C26 | C19 | C22 | C23 | 1.8° | 14.1° |
| C19 | C26 | C25 | C24 | 1.7° | 8.2° |
| C26 | C19 | N6 | H24 | 1.1° | 12.0° |
| C19 | C26 | C25 | C32 | 175.6° | 171.8° |
| C22 | C19 | C26 | C25 | 2.2° | 0.3° |
| C19 | C22 | C23 | C24 | 0.8° | 21.1° |
| C19 | C22 | C23 | H20 | 179.2° | 168.5° |
| C22 | C19 | C26 | H22 | 177.7° | 172.0° |
| C22 | C19 | N6 | H24 | 179.3° | 164.3° |
| C26 | C25 | C24 | C32 | 177.6° | 180.0° |
| C26 | C25 | C24 | C23 | 0.7° | 1.2° |
| C26 | C25 | C24 | H21 | 179.3° | 167.9° |
| C26 | C25 | C32 | C30 | 85.2° | 118.3° |
| C26 | C25 | C32 | C33 | 39.8° | 127.5° |
| C26 | C25 | C32 | H32 | 161.9° | 3.4° |
| C20 | C17 | N5 | C16 | 138.2° | 118.7° |
| C20 | C17 | N5 | H17 | 111.1° | 120.5° |
| C20 | C17 | C16 | H17 | 112.1° | 124.8° |
| C20 | C17 | C16 | O4 | 82.4° | 118.6° |
| C20 | C17 | N5 | H23 | 57.4° | 20.6° |
| C17 | C20 | O5 | C9 | 79.6° | 26.4° |
| C20 | C17 | N5 | C13 | 122.7° | 161.5° |
| C20 | C17 | C16 | N7 | 97.9° | 66.3° |
| C22 | C23 | C24 | C25 | 0.2° | 13.5° |
| C22 | C23 | C24 | H20 | 180.0° | 170.5° |
| C22 | C23 | C24 | H21 | 179.7° | 177.6° |
| N5 | C17 | C16 | H17 | 110.0° | 118.2° |
| N5 | C17 | C16 | O4 | 55.5° | 1.6° |
| N5 | C17 | C20 | H18 | 69.1° | 73.5° |
| C17 | N5 | H23 | C13 | 180.0° | 177.9° |
| N5 | C17 | C16 | N7 | 124.2° | 176.7° |
| C17 | C16 | O4 | N7 | 179.7° | 175.6° |
| C16 | C17 | C20 | H18 | 66.0° | 42.2° |
| C16 | C17 | N5 | H23 | 80.9° | 98.0° |
| C17 | C16 | N7 | C27 | 179.9° | 132.0° |
| C17 | C16 | N7 | H25 | 0.1° | 44.6° |
| C16 | C17 | N5 | C13 | 99.1° | 79.8° |
| C25 | C24 | C23 | H21 | 180.0° | 168.9° |
| C25 | C24 | C23 | H20 | 179.8° | 176.0° |
| C24 | C25 | C26 | H22 | 178.3° | 179.8° |
| C24 | C25 | C32 | C30 | 92.2° | 61.7° |
| C24 | C25 | C32 | C33 | 142.7° | 52.5° |
| C24 | C25 | C32 | H32 | 20.7° | 176.6° |
| C23 | C24 | C25 | C32 | 176.9° | 178.8° |
| O4 | C16 | C17 | H17 | 165.5° | 116.7° |
| O4 | C16 | N7 | C27 | 0.3° | 43.5° |
| O4 | C16 | N7 | H25 | 179.7° | 139.9° |
| H17 | C17 | C20 | H18 | 179.3° | 167.7° |
| H17 | C17 | N5 | H23 | 168.4° | 141.1° |
| H17 | C17 | N5 | C13 | 11.6° | 41.0° |
| H17 | C17 | C16 | N7 | 14.2° | 58.5° |
| H18 | C20 | O5 | C9 | 38.2° | 149.9° |
| H19 | C21 | N6 | H24 | 0.8° | 17.5° |
| H20 | C23 | C24 | H21 | 0.3° | 7.1° |
| H21 | C24 | C25 | C32 | 3.2° | 12.1° |
| H22 | C26 | C25 | C32 | 4.4° | 0.2° |
| C27 | N7 | H25 | C16 | 180.0° | 177.2° |
| N7 | C27 | C28 | C29 | 118.4° | 121.2° |
| N7 | C27 | C28 | H26 | 119.1° | 118.2° |
| N7 | C27 | C29 | H26 | 121.8° | 114.0° |
| N7 | C27 | C28 | O6 | 45.4° | 60.4° |
| N7 | C27 | C29 | O7 | 174.2° | 65.0° |
| N7 | C27 | C29 | H27 | 65.7° | 54.9° |
| N7 | C27 | C29 | H28 | 54.2° | 175.0° |
| N7 | C27 | C28 | N8 | 142.5° | 122.5° |
| H25 | N7 | C27 | C28 | 71.2° | 25.9° |
| H25 | N7 | C27 | C29 | 47.0° | 150.3° |
| H25 | N7 | C27 | H26 | 168.7° | 94.8° |
| C28 | C27 | C29 | H26 | 123.6° | 122.2° |
| C27 | C28 | O6 | N8 | 172.9° | 177.4° |
| C28 | C27 | C29 | O7 | 59.6° | 171.3° |
| C28 | C27 | C29 | H27 | 179.7° | 68.8° |
| C28 | C27 | C29 | H28 | 60.4° | 51.3° |
| C27 | C28 | N8 | C30 | 180.0° | 177.4° |
| C27 | C28 | N8 | H30 | 0.0° | 0.8° |
| C28 | C27 | N7 | C16 | 108.8° | 150.8° |
| C29 | C27 | C28 | O6 | 72.9° | 178.3° |
| C27 | C29 | O7 | H27 | 120.0° | 120.0° |
| C27 | C29 | O7 | H28 | 120.0° | 120.0° |
| C27 | C29 | H27 | H28 | 119.9° | 120.1° |
| C27 | C29 | O7 | H29 | 180.0° | 180.0° |
| C29 | C27 | N7 | C16 | 133.0° | 26.5° |
| C29 | C27 | C28 | N8 | 99.2° | 1.3° |
| H26 | C27 | C28 | O6 | 164.5° | 57.7° |
| H26 | C27 | C29 | O7 | 63.9° | 49.0° |
| H26 | C27 | C29 | H27 | 56.1° | 168.9° |
| H26 | C27 | C29 | H28 | 176.0° | 71.0° |
| H26 | C27 | N7 | C16 | 11.3° | 88.5° |
| H26 | C27 | C28 | N8 | 23.4° | 119.3° |
| O6 | C28 | N8 | C30 | 7.9° | 0.3° |
| O6 | C28 | N8 | H30 | 172.1° | 177.8° |
| O7 | C29 | H27 | H28 | 119.9° | 120.0° |
| H27 | C29 | O7 | H29 | 60.0° | 60.0° |
| H28 | C29 | O7 | H29 | 60.0° | 60.0° |
| C30 | N8 | H30 | C28 | 180.0° | 178.4° |
| N8 | C30 | C31 | C32 | 131.4° | 121.7° |
| N8 | C30 | C31 | H31 | 113.0° | 117.8° |
| N8 | C30 | C32 | H31 | 115.5° | 121.0° |
| N8 | C30 | C31 | O8 | 96.6° | 19.9° |
| N8 | C30 | C32 | C33 | 171.1° | 105.1° |
| N8 | C30 | C32 | H32 | 68.4° | 135.9° |
| N8 | C30 | C32 | C25 | 46.9° | 11.3° |
| N8 | C30 | C31 | N10 | 82.2° | 160.0° |
| H30 | N8 | C30 | C31 | 36.6° | 131.7° |
| H30 | N8 | C30 | C32 | 95.3° | 108.5° |
| H30 | N8 | C30 | H31 | 149.6° | 14.9° |
| C31 | C30 | C32 | H31 | 116.0° | 116.9° |
| C30 | C31 | O8 | N10 | 178.6° | 179.9° |
| C31 | C30 | C32 | C33 | 60.4° | 132.9° |
| C31 | C30 | C32 | H32 | 60.1° | 13.8° |
| C30 | C31 | N10 | C36 | 180.0° | 180.0° |
| C30 | C31 | N10 | H42 | 0.0° | 0.1° |
| C31 | C30 | C32 | C25 | 175.4° | 110.7° |
| C31 | C30 | N8 | C28 | 143.4° | 46.4° |
| C32 | C30 | C31 | O8 | 34.7° | 101.7° |
| C30 | C32 | C33 | H32 | 120.1° | 118.5° |
| C30 | C32 | C33 | C25 | 116.5° | 115.2° |
| C30 | C32 | H32 | C25 | 108.5° | 120.5° |
| C30 | C32 | C33 | C34 | 62.4° | 179.8° |
| C30 | C32 | C33 | H33 | 58.4° | 59.8° |
| C30 | C32 | C33 | H34 | 176.8° | 60.2° |
| C32 | C30 | N8 | C28 | 84.7° | 73.4° |
| C32 | C30 | C31 | N10 | 146.5° | 78.3° |
| H31 | C30 | C31 | O8 | 150.4° | 137.8° |
| H31 | C30 | C32 | C33 | 55.6° | 15.9° |
| H31 | C30 | C32 | H32 | 176.1° | 103.1° |
| H31 | C30 | C32 | C25 | 68.6° | 132.3° |
| H31 | C30 | N8 | C28 | 30.4° | 163.2° |
| H31 | C30 | C31 | N10 | 30.9° | 42.2° |
| O8 | C31 | N10 | C36 | 1.2° | 0.0° |
| O8 | C31 | N10 | H42 | 178.8° | 180.0° |
| C33 | C32 | H32 | C25 | 126.0° | 123.4° |
| C32 | C33 | C34 | H33 | 120.8° | 120.0° |
| C32 | C33 | C34 | H34 | 120.8° | 120.0° |
| C32 | C33 | H33 | H34 | 117.5° | 120.0° |
| C32 | C33 | C34 | C35 | 177.9° | 180.0° |
| C32 | C33 | C34 | H35 | 58.0° | 60.0° |
| C32 | C33 | C34 | H36 | 62.3° | 60.0° |
| H32 | C32 | C33 | C34 | 57.7° | 61.3° |
| H32 | C32 | C33 | H33 | 178.5° | 58.7° |
| H32 | C32 | C33 | H34 | 63.1° | 178.6° |
| C34 | C33 | H33 | H34 | 117.5° | 120.0° |
| C33 | C34 | C35 | H35 | 119.9° | 120.0° |
| C33 | C34 | C35 | H36 | 119.9° | 120.0° |
| C33 | C34 | H35 | H36 | 120.4° | 120.1° |
| C33 | C34 | C35 | N9 | 179.8° | 180.0° |
| C33 | C34 | C35 | H37 | 60.0° | 60.0° |
| C33 | C34 | C35 | H38 | 59.6° | 60.0° |
| C34 | C33 | C32 | C25 | 178.9° | 65.0° |
| H33 | C33 | C34 | C35 | 61.3° | 60.0° |
| H33 | C33 | C34 | H35 | 178.8° | 180.0° |
| H33 | C33 | C34 | H36 | 58.5° | 60.0° |
| H33 | C33 | C32 | C25 | 58.1° | 175.0° |
| H34 | C33 | C34 | C35 | 57.1° | 60.0° |
| H34 | C33 | C34 | H35 | 62.8° | 60.0° |
| H34 | C33 | C34 | H36 | 176.9° | 180.0° |
| H34 | C33 | C32 | C25 | 60.3° | 55.0° |
| C35 | C34 | H35 | H36 | 120.4° | 119.9° |
| C34 | C35 | N9 | H37 | 120.2° | 120.0° |
| C34 | C35 | N9 | H38 | 120.2° | 120.0° |
| C34 | C35 | H37 | H38 | 119.6° | 120.0° |
| C34 | C35 | N9 | H39 | 180.0° | 180.0° |
| C34 | C35 | N9 | H40 | 60.0° | 60.0° |
| C34 | C35 | N9 | H41 | 60.0° | 60.0° |
| H35 | C34 | C35 | N9 | 60.0° | 60.0° |
| H35 | C34 | C35 | H37 | 179.9° | 180.0° |
| H35 | C34 | C35 | H38 | 60.2° | 60.1° |
| H36 | C34 | C35 | N9 | 60.3° | 60.0° |
| H36 | C34 | C35 | H37 | 59.8° | 60.1° |
| H36 | C34 | C35 | H38 | 179.5° | 180.0° |
| N9 | C35 | H37 | H38 | 119.6° | 120.0° |
| C35 | N9 | H39 | H40 | 120.0° | 120.0° |
| C35 | N9 | H39 | H41 | 120.0° | 119.9° |
| C35 | N9 | H40 | H41 | 120.0° | 119.9° |
| H37 | C35 | N9 | H39 | 59.9° | 60.0° |
| H37 | C35 | N9 | H40 | 179.8° | 180.0° |
| H37 | C35 | N9 | H41 | 60.1° | 60.0° |
| H38 | C35 | N9 | H39 | 59.8° | 60.0° |
| H38 | C35 | N9 | H40 | 60.2° | 60.1° |
| H38 | C35 | N9 | H41 | 179.8° | 180.0° |
| H39 | N9 | H40 | H41 | 119.9° | 120.1° |
| C36 | N10 | H42 | C31 | 180.0° | 180.0° |
| N10 | C36 | C37 | C38 | 119.2° | 120.0° |
| N10 | C36 | C37 | H43 | 122.5° | 120.0° |
| N10 | C36 | C38 | H43 | 119.5° | 120.0° |
| N10 | C36 | C37 | O9 | 80.2° | 0.0° |
| N10 | C36 | C38 | O10 | 177.8° | 65.0° |
| N10 | C36 | C38 | H44 | 57.8° | 175.0° |
| N10 | C36 | C38 | H45 | 62.2° | 55.0° |
| N10 | C36 | C37 | N11 | 101.2° | 180.0° |
| H42 | N10 | C36 | C37 | 133.3° | 25.0° |
| H42 | N10 | C36 | C38 | 14.4° | 95.0° |
| H42 | N10 | C36 | H43 | 104.6° | 145.0° |
| C37 | C36 | C38 | H43 | 118.4° | 120.0° |
| C36 | C37 | O9 | N11 | 178.5° | 180.0° |
| C37 | C36 | C38 | O10 | 60.1° | 55.0° |
| C37 | C36 | C38 | H44 | 179.9° | 65.0° |
| C37 | C36 | C38 | H45 | 60.0° | 175.0° |
| C36 | C37 | N11 | C39 | 180.0° | 180.0° |
| C36 | C37 | N11 | H47 | 0.0° | 0.0° |
| C37 | C36 | N10 | C31 | 46.7° | 155.0° |
| C38 | C36 | C37 | O9 | 39.0° | 120.0° |
| C36 | C38 | O10 | H44 | 120.0° | 120.0° |
| C36 | C38 | O10 | H45 | 120.0° | 120.0° |
| C36 | C38 | H44 | H45 | 119.9° | 120.0° |
| C36 | C38 | O10 | H46 | 180.0° | 180.0° |
| C38 | C36 | N10 | C31 | 165.6° | 85.0° |
| C38 | C36 | C37 | N11 | 139.6° | 60.0° |
| H43 | C36 | C37 | O9 | 157.3° | 120.0° |
| H43 | C36 | C38 | O10 | 58.3° | 175.0° |
| H43 | C36 | C38 | H44 | 61.7° | 55.0° |
| H43 | C36 | C38 | H45 | 178.4° | 65.0° |
| H43 | C36 | N10 | C31 | 75.4° | 35.0° |
| H43 | C36 | C37 | N11 | 21.3° | 60.0° |
| O9 | C37 | N11 | C39 | 1.5° | 0.0° |
| O9 | C37 | N11 | H47 | 178.5° | 180.0° |
| O10 | C38 | H44 | H45 | 119.9° | 120.0° |
| H44 | C38 | O10 | H46 | 60.0° | 59.9° |
| H45 | C38 | O10 | H46 | 60.0° | 60.1° |
| C39 | N11 | H47 | C37 | 180.0° | 180.0° |
| N11 | C39 | C40 | C41 | 122.1° | 120.0° |
| N11 | C39 | C40 | H48 | 118.9° | 120.0° |
| N11 | C39 | C41 | H48 | 121.5° | 120.0° |
| N11 | C39 | C40 | O11 | 148.4° | 0.0° |
| N11 | C39 | C40 | O12 | 31.7° | 180.0° |
| N11 | C39 | C41 | C42 | 61.6° | 65.0° |
| N11 | C39 | C41 | H49 | 177.8° | 55.0° |
| N11 | C39 | C41 | H50 | 58.9° | 175.0° |
| H47 | N11 | C39 | C40 | 96.1° | 94.9° |
| H47 | N11 | C39 | C41 | 24.5° | 25.0° |
| H47 | N11 | C39 | H48 | 145.5° | 145.0° |
| C40 | C39 | C41 | H48 | 119.0° | 120.1° |
| C39 | C40 | O11 | O12 | 179.9° | 179.9° |
| C40 | C39 | C41 | C42 | 57.9° | 175.0° |
| C40 | C39 | C41 | H49 | 62.7° | 65.0° |
| C40 | C39 | C41 | H50 | 178.4° | 55.0° |
| C39 | C40 | O12 | H56 | 179.9° | 180.0° |
| C40 | C39 | N11 | C37 | 83.9° | 85.0° |
| C41 | C39 | C40 | O11 | 89.4° | 119.9° |
| C41 | C39 | C40 | O12 | 90.4° | 60.0° |
| C39 | C41 | C42 | H49 | 120.6° | 120.0° |
| C39 | C41 | C42 | H50 | 120.6° | 120.0° |
| C39 | C41 | H49 | H50 | 118.3° | 120.0° |
| C39 | C41 | C42 | C43 | 84.3° | 90.0° |
| C39 | C41 | C42 | C44 | 97.7° | 90.3° |
| C41 | C39 | N11 | C37 | 155.5° | 155.0° |
| H48 | C39 | C40 | O11 | 29.5° | 120.0° |
| H48 | C39 | C40 | O12 | 150.6° | 60.0° |
| H48 | C39 | C41 | C42 | 176.9° | 55.0° |
| H48 | C39 | C41 | H49 | 56.3° | 174.9° |
| H48 | C39 | C41 | H50 | 62.6° | 65.0° |
| H48 | C39 | N11 | C37 | 34.5° | 35.0° |
| O11 | C40 | O12 | H56 | 0.0° | 0.0° |
| C42 | C41 | H49 | H50 | 118.3° | 120.0° |
| C41 | C42 | C43 | C44 | 178.1° | 179.7° |
| C41 | C42 | C43 | C45 | 179.4° | 180.0° |
| C41 | C42 | C43 | H51 | 0.7° | 0.1° |
| C41 | C42 | C44 | C46 | 179.2° | 180.0° |
| C41 | C42 | C44 | H52 | 0.8° | 0.1° |
| H49 | C41 | C42 | C43 | 36.2° | 29.9° |
| H49 | C41 | C42 | C44 | 141.8° | 149.7° |
| H50 | C41 | C42 | C43 | 155.1° | 150.0° |
| H50 | C41 | C42 | C44 | 22.9° | 29.7° |
| C42 | C43 | C45 | H51 | 180.0° | 179.9° |
| C43 | C42 | C44 | C46 | 1.2° | 0.4° |
| C43 | C42 | C44 | H52 | 178.8° | 179.7° |
| C42 | C43 | C45 | C47 | 1.0° | 0.1° |
| C42 | C43 | C45 | H53 | 179.0° | 180.0° |
| C44 | C42 | C43 | C45 | 1.3° | 0.4° |
| C44 | C42 | C43 | H51 | 178.7° | 179.7° |
| C42 | C44 | C46 | H52 | 180.0° | 179.9° |
| C42 | C44 | C46 | C47 | 0.7° | 0.1° |
| C42 | C44 | C46 | H54 | 179.3° | 180.0° |
| C43 | C45 | C47 | H53 | 180.0° | 179.9° |
| C43 | C45 | C47 | C46 | 0.4° | 0.2° |
| C43 | C45 | C47 | H55 | 179.6° | 180.0° |
| H51 | C43 | C45 | C47 | 179.1° | 180.0° |
| H51 | C43 | C45 | H53 | 0.9° | 0.1° |
| C44 | C46 | C47 | C45 | 0.3° | 0.2° |
| C44 | C46 | C47 | H54 | 180.0° | 180.0° |
| C44 | C46 | C47 | H55 | 179.7° | 180.0° |
| H52 | C44 | C46 | C47 | 179.3° | 180.0° |
| H52 | C44 | C46 | H54 | 0.7° | 0.0° |
| C45 | C47 | C46 | H55 | 180.0° | 179.8° |
| C45 | C47 | C46 | H54 | 179.7° | 179.8° |
| H53 | C45 | C47 | C46 | 179.5° | 179.7° |
| H53 | C45 | C47 | H55 | 0.4° | 0.0° |
| H54 | C46 | C47 | H55 | 0.3° | 0.0° |
