PRD_000822
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.48Å | |
| N1 | H1 | sing | 0.98Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C1 | C3 | sing | 1.53Å | 1.49Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| N2 | C4 | sing | 1.48Å | 1.48Å | |
| N2 | H6 | sing | 0.98Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C4 | C6 | sing | 1.53Å | 1.59Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | O2 | doub | 1.21Å | 1.26Å | |
| C6 | C7 | sing | 1.53Å | 1.57Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| N3 | C10 | sing | 1.48Å | 1.47Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.50Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.59Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | N4 | sing | 1.47Å | 1.49Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | H27 | sing | 1.01Å | 1.00Å | |
| N4 | H28 | sing | 1.01Å | 1.00Å | |
| N4 | H29 | sing | 1.01Å | 1.00Å | |
| N5 | C16 | sing | 1.48Å | 1.46Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C18 | sing | 1.53Å | 1.56Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | O4 | doub | 1.21Å | 1.24Å | |
| C18 | C19 | sing | 1.53Å | 1.57Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | C21 | sing | 1.53Å | 1.62Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| N6 | C22 | sing | 1.48Å | 1.43Å | |
| N6 | H41 | sing | 0.98Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.56Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | O5 | doub | 1.21Å | 1.24Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | O6 | doub | 1.21Å | 1.23Å | |
| C25 | O7 | sing | 1.34Å | 1.29Å | |
| O7 | H45 | sing | 0.97Å | 0.95Å | |
| N7 | C26 | sing | 1.48Å | 1.49Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.49Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | O8 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | O9 | doub | 1.21Å | 1.20Å | |
| C29 | N8 | sing | 1.35Å | 1.32Å | |
| N8 | H50 | sing | 0.97Å | 1.00Å | |
| N8 | H51 | sing | 0.97Å | 1.00Å | |
| N9 | C30 | sing | 1.48Å | 1.46Å | |
| N9 | H52 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.50Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C31 | O10 | doub | 1.21Å | 1.25Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | S1 | sing | 1.81Å | 1.85Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| S1 | C34 | sing | 1.81Å | 1.77Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| N10 | C35 | sing | 1.48Å | 1.49Å | |
| N10 | H61 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.55Å | |
| C35 | C37 | sing | 1.53Å | 1.50Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | O11 | doub | 1.21Å | 1.26Å | |
| C37 | C38 | sing | 1.51Å | 1.55Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | O12 | doub | 1.21Å | 1.28Å | |
| C38 | O13 | sing | 1.34Å | 1.26Å | |
| O13 | H65 | sing | 0.97Å | 0.95Å | |
| N1 | C36 | sing | 1.36Å | 1.34Å | |
| C2 | N2 | sing | 1.36Å | 1.33Å | |
| C5 | N3 | sing | 1.36Å | 1.33Å | |
| C11 | N5 | sing | 1.36Å | 1.33Å | |
| C17 | N6 | sing | 1.36Å | 1.33Å | |
| C23 | N7 | sing | 1.36Å | 1.34Å | |
| C27 | N9 | sing | 1.36Å | 1.33Å | |
| C31 | N10 | sing | 1.36Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 118.3° | 121.5° |
| N1 | C1 | C2 | 110.1° | 108.1° |
| N1 | C1 | C3 | 111.4° | 109.5° |
| N1 | C1 | H2 | 109.4° | 110.7° |
| C1 | N1 | C36 | 123.4° | 116.8° |
| H1 | N1 | C36 | 118.3° | 121.8° |
| C2 | C1 | C3 | 108.2° | 109.0° |
| C2 | C1 | H2 | 108.4° | 109.5° |
| C1 | C2 | O1 | 118.0° | 120.3° |
| C1 | C2 | N2 | 117.5° | 118.4° |
| C3 | C1 | H2 | 109.3° | 109.9° |
| C1 | C3 | H3 | 109.5° | 109.5° |
| C1 | C3 | H4 | 109.5° | 109.5° |
| C1 | C3 | H5 | 109.5° | 109.5° |
| O1 | C2 | N2 | 124.3° | 121.3° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| H3 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| C4 | N2 | H6 | 116.1° | 121.3° |
| N2 | C4 | C5 | 110.9° | 108.4° |
| N2 | C4 | C6 | 113.7° | 109.3° |
| N2 | C4 | H7 | 108.1° | 109.7° |
| C4 | N2 | C2 | 127.9° | 117.2° |
| H6 | N2 | C2 | 116.0° | 121.4° |
| C5 | C4 | C6 | 109.7° | 109.5° |
| C5 | C4 | H7 | 107.3° | 109.7° |
| C4 | C5 | O2 | 119.9° | 120.0° |
| C4 | C5 | N3 | 116.5° | 118.9° |
| C6 | C4 | H7 | 106.8° | 110.2° |
| C4 | C6 | C7 | 114.4° | 109.5° |
| C4 | C6 | H8 | 108.2° | 109.5° |
| C4 | C6 | H9 | 108.2° | 109.5° |
| O2 | C5 | N3 | 123.6° | 121.2° |
| C7 | C6 | H8 | 108.3° | 109.5° |
| C7 | C6 | H9 | 108.2° | 109.5° |
| C6 | C7 | C8 | 110.0° | 109.5° |
| C6 | C7 | C9 | 111.0° | 109.5° |
| C6 | C7 | H10 | 108.3° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| C8 | C7 | C9 | 109.8° | 109.5° |
| C8 | C7 | H10 | 109.0° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C9 | C7 | H10 | 108.7° | 109.5° |
| C7 | C9 | H14 | 109.5° | 109.5° |
| C7 | C9 | H15 | 109.5° | 109.5° |
| C7 | C9 | H16 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.4° | 109.4° |
| H11 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.4° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H14 | C9 | H16 | 109.5° | 109.4° |
| H15 | C9 | H16 | 109.5° | 109.4° |
| C10 | N3 | H17 | 119.3° | 121.6° |
| N3 | C10 | C11 | 106.5° | 108.0° |
| N3 | C10 | C12 | 110.4° | 109.4° |
| N3 | C10 | H18 | 111.0° | 110.5° |
| C10 | N3 | C5 | 121.4° | 116.1° |
| H17 | N3 | C5 | 119.3° | 122.3° |
| C11 | C10 | C12 | 108.5° | 109.2° |
| C11 | C10 | H18 | 109.9° | 109.9° |
| C10 | C11 | O3 | 120.2° | 119.9° |
| C10 | C11 | N5 | 117.0° | 119.2° |
| C12 | C10 | H18 | 110.5° | 109.9° |
| C10 | C12 | C13 | 111.6° | 109.4° |
| C10 | C12 | H19 | 109.0° | 109.5° |
| C10 | C12 | H20 | 108.9° | 109.5° |
| O3 | C11 | N5 | 122.8° | 120.9° |
| C13 | C12 | H19 | 108.9° | 109.4° |
| C13 | C12 | H20 | 109.0° | 109.5° |
| C12 | C13 | C14 | 113.5° | 109.5° |
| C12 | C13 | H21 | 108.5° | 109.4° |
| C12 | C13 | H22 | 108.5° | 109.6° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| C14 | C13 | H21 | 108.5° | 109.4° |
| C14 | C13 | H22 | 108.5° | 109.5° |
| C13 | C14 | C15 | 109.1° | 109.5° |
| C13 | C14 | H23 | 109.6° | 109.4° |
| C13 | C14 | H24 | 109.6° | 109.5° |
| H21 | C13 | H22 | 109.4° | 109.4° |
| C15 | C14 | H23 | 109.6° | 109.5° |
| C15 | C14 | H24 | 109.6° | 109.5° |
| C14 | C15 | N4 | 102.9° | 109.5° |
| C14 | C15 | H25 | 111.1° | 109.5° |
| C14 | C15 | H26 | 111.1° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| N4 | C15 | H25 | 111.1° | 109.5° |
| N4 | C15 | H26 | 111.1° | 109.4° |
| C15 | N4 | H27 | 109.5° | 109.4° |
| C15 | N4 | H28 | 109.5° | 109.5° |
| C15 | N4 | H29 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H27 | N4 | H28 | 109.5° | 109.5° |
| H27 | N4 | H29 | 109.5° | 109.5° |
| H28 | N4 | H29 | 109.4° | 109.5° |
| C16 | N5 | H30 | 120.2° | 121.5° |
| N5 | C16 | C17 | 110.7° | 108.5° |
| N5 | C16 | C18 | 109.4° | 109.6° |
| N5 | C16 | H31 | 109.1° | 109.5° |
| C16 | N5 | C11 | 119.7° | 116.7° |
| H30 | N5 | C11 | 120.1° | 121.8° |
| C17 | C16 | C18 | 111.4° | 109.7° |
| C17 | C16 | H31 | 108.3° | 109.3° |
| C16 | C17 | O4 | 121.5° | 120.2° |
| C16 | C17 | N6 | 114.3° | 118.4° |
| C18 | C16 | H31 | 107.8° | 110.2° |
| C16 | C18 | C19 | 111.6° | 109.5° |
| C16 | C18 | C20 | 112.1° | 109.4° |
| C16 | C18 | H32 | 107.8° | 109.4° |
| O4 | C17 | N6 | 123.7° | 121.4° |
| C19 | C18 | C20 | 109.3° | 109.5° |
| C19 | C18 | H32 | 107.7° | 109.5° |
| C18 | C19 | C21 | 115.2° | 109.5° |
| C18 | C19 | H33 | 108.0° | 109.5° |
| C18 | C19 | H34 | 108.0° | 109.5° |
| C20 | C18 | H32 | 108.1° | 109.5° |
| C18 | C20 | H35 | 109.5° | 109.5° |
| C18 | C20 | H36 | 109.4° | 109.5° |
| C18 | C20 | H37 | 109.5° | 109.4° |
| C21 | C19 | H33 | 108.0° | 109.5° |
| C21 | C19 | H34 | 108.0° | 109.4° |
| C19 | C21 | H38 | 109.5° | 109.5° |
| C19 | C21 | H39 | 109.4° | 109.5° |
| C19 | C21 | H40 | 109.5° | 109.4° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H35 | C20 | H36 | 109.4° | 109.5° |
| H35 | C20 | H37 | 109.5° | 109.4° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H38 | C21 | H40 | 109.5° | 109.4° |
| H39 | C21 | H40 | 109.5° | 109.5° |
| C22 | N6 | H41 | 119.9° | 121.7° |
| N6 | C22 | C23 | 112.2° | 108.1° |
| N6 | C22 | C24 | 111.9° | 109.4° |
| N6 | C22 | H42 | 108.6° | 110.4° |
| C22 | N6 | C17 | 120.2° | 116.3° |
| H41 | N6 | C17 | 119.9° | 122.0° |
| C23 | C22 | C24 | 109.2° | 109.2° |
| C23 | C22 | H42 | 107.5° | 109.8° |
| C22 | C23 | O5 | 117.8° | 120.1° |
| C22 | C23 | N7 | 120.2° | 118.8° |
| C24 | C22 | H42 | 107.1° | 110.0° |
| C22 | C24 | C25 | 113.4° | 109.4° |
| C22 | C24 | H43 | 108.5° | 109.4° |
| C22 | C24 | H44 | 108.5° | 109.5° |
| O5 | C23 | N7 | 121.9° | 121.1° |
| C25 | C24 | H43 | 108.5° | 109.5° |
| C25 | C24 | H44 | 108.5° | 109.5° |
| C24 | C25 | O6 | 121.6° | 120.1° |
| C24 | C25 | O7 | 117.5° | 119.9° |
| H43 | C24 | H44 | 109.5° | 109.5° |
| O6 | C25 | O7 | 121.0° | 120.0° |
| C25 | O7 | H45 | 109.5° | 117.0° |
| C26 | N7 | H46 | 118.0° | 121.4° |
| N7 | C26 | C27 | 108.0° | 108.6° |
| N7 | C26 | C28 | 109.8° | 109.4° |
| N7 | C26 | H47 | 109.5° | 109.6° |
| C26 | N7 | C23 | 124.1° | 117.0° |
| H46 | N7 | C23 | 117.9° | 121.6° |
| C27 | C26 | C28 | 110.9° | 109.6° |
| C27 | C26 | H47 | 109.5° | 109.6° |
| C26 | C27 | O8 | 120.2° | 120.1° |
| C26 | C27 | N9 | 115.0° | 118.7° |
| C28 | C26 | H47 | 109.1° | 110.1° |
| C26 | C28 | C29 | 111.9° | 109.5° |
| C26 | C28 | H48 | 108.8° | 109.5° |
| C26 | C28 | H49 | 108.8° | 109.4° |
| O8 | C27 | N9 | 124.7° | 121.2° |
| C29 | C28 | H48 | 108.9° | 109.5° |
| C29 | C28 | H49 | 108.9° | 109.5° |
| C28 | C29 | O9 | 119.9° | 120.0° |
| C28 | C29 | N8 | 116.4° | 120.0° |
| H48 | C28 | H49 | 109.5° | 109.5° |
| O9 | C29 | N8 | 123.4° | 120.0° |
| C29 | N8 | H50 | 120.0° | 120.1° |
| C29 | N8 | H51 | 120.0° | 120.0° |
| H50 | N8 | H51 | 120.0° | 119.9° |
| C30 | N9 | H52 | 121.3° | 121.6° |
| N9 | C30 | C31 | 109.8° | 108.1° |
| N9 | C30 | C32 | 110.9° | 109.3° |
| N9 | C30 | H53 | 108.2° | 110.5° |
| C30 | N9 | C27 | 117.4° | 116.2° |
| H52 | N9 | C27 | 121.3° | 122.2° |
| C31 | C30 | C32 | 112.6° | 109.2° |
| C31 | C30 | H53 | 107.5° | 109.9° |
| C30 | C31 | O10 | 117.6° | 120.1° |
| C30 | C31 | N10 | 119.4° | 119.0° |
| C32 | C30 | H53 | 107.7° | 109.9° |
| C30 | C32 | C33 | 113.7° | 109.5° |
| C30 | C32 | H54 | 108.4° | 109.5° |
| C30 | C32 | H55 | 108.4° | 109.4° |
| O10 | C31 | N10 | 122.9° | 120.8° |
| C33 | C32 | H54 | 108.4° | 109.5° |
| C33 | C32 | H55 | 108.4° | 109.5° |
| C32 | C33 | S1 | 112.0° | 109.5° |
| C32 | C33 | H56 | 108.8° | 109.5° |
| C32 | C33 | H57 | 108.8° | 109.5° |
| H54 | C32 | H55 | 109.5° | 109.5° |
| S1 | C33 | H56 | 108.9° | 109.5° |
| S1 | C33 | H57 | 108.9° | 109.5° |
| C33 | S1 | C34 | 97.4° | 103.0° |
| H56 | C33 | H57 | 109.5° | 109.5° |
| S1 | C34 | H58 | 109.5° | 109.5° |
| S1 | C34 | H59 | 109.5° | 109.5° |
| S1 | C34 | H60 | 109.5° | 109.5° |
| H58 | C34 | H59 | 109.5° | 109.4° |
| H58 | C34 | H60 | 109.4° | 109.5° |
| H59 | C34 | H60 | 109.5° | 109.4° |
| C35 | N10 | H61 | 122.1° | 121.6° |
| N10 | C35 | C36 | 107.6° | 108.4° |
| N10 | C35 | C37 | 109.9° | 109.7° |
| N10 | C35 | H62 | 111.9° | 109.5° |
| C35 | N10 | C31 | 115.9° | 116.6° |
| H61 | N10 | C31 | 122.1° | 121.8° |
| C36 | C35 | C37 | 104.5° | 109.7° |
| C36 | C35 | H62 | 110.9° | 109.2° |
| C35 | C36 | O11 | 118.9° | 120.2° |
| C35 | C36 | N1 | 118.7° | 118.3° |
| C37 | C35 | H62 | 111.7° | 110.2° |
| C35 | C37 | C38 | 112.2° | 109.4° |
| C35 | C37 | H63 | 108.8° | 109.4° |
| C35 | C37 | H64 | 108.8° | 109.5° |
| O11 | C36 | N1 | 122.2° | 121.5° |
| C38 | C37 | H63 | 108.8° | 109.4° |
| C38 | C37 | H64 | 108.8° | 109.5° |
| C37 | C38 | O12 | 115.9° | 120.0° |
| C37 | C38 | O13 | 116.2° | 120.0° |
| H63 | C37 | H64 | 109.5° | 109.5° |
| O12 | C38 | O13 | 127.8° | 120.0° |
| C38 | O13 | H65 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C36 | 180.0° | 179.8° |
| N1 | C1 | C2 | C3 | 121.9° | 118.9° |
| N1 | C1 | C2 | H2 | 119.7° | 120.7° |
| N1 | C1 | C3 | H2 | 121.1° | 121.8° |
| N1 | C1 | C2 | O1 | 169.0° | 11.9° |
| N1 | C1 | C3 | H3 | 180.0° | 60.0° |
| N1 | C1 | C3 | H4 | 60.0° | 180.0° |
| N1 | C1 | C3 | H5 | 60.0° | 60.0° |
| C1 | N1 | C36 | C35 | 177.8° | 175.1° |
| C1 | N1 | C36 | O11 | 5.9° | 4.4° |
| N1 | C1 | C2 | N2 | 15.7° | 168.2° |
| H1 | N1 | C1 | C2 | 78.1° | 19.4° |
| H1 | N1 | C1 | C3 | 41.9° | 99.3° |
| H1 | N1 | C1 | H2 | 162.9° | 139.4° |
| H1 | N1 | C36 | C35 | 2.2° | 5.1° |
| H1 | N1 | C36 | O11 | 174.1° | 175.4° |
| C2 | C1 | C3 | H2 | 117.8° | 120.1° |
| C1 | C2 | O1 | N2 | 175.0° | 179.9° |
| C2 | C1 | C3 | H3 | 58.9° | 58.1° |
| C2 | C1 | C3 | H4 | 178.9° | 61.9° |
| C2 | C1 | C3 | H5 | 61.1° | 178.1° |
| C1 | C2 | N2 | C4 | 173.2° | 175.1° |
| C1 | C2 | N2 | H6 | 6.8° | 5.7° |
| C2 | C1 | N1 | C36 | 101.9° | 160.4° |
| C3 | C1 | C2 | O1 | 47.1° | 130.9° |
| C1 | C3 | H3 | H4 | 120.0° | 120.0° |
| C1 | C3 | H3 | H5 | 120.0° | 120.0° |
| C1 | C3 | H4 | H5 | 120.0° | 120.0° |
| C3 | C1 | N1 | C36 | 138.1° | 80.9° |
| C3 | C1 | C2 | N2 | 137.6° | 49.2° |
| H2 | C1 | C2 | O1 | 71.3° | 108.8° |
| H2 | C1 | C3 | H3 | 58.9° | 178.2° |
| H2 | C1 | C3 | H4 | 61.1° | 58.2° |
| H2 | C1 | C3 | H5 | 179.0° | 61.8° |
| H2 | C1 | N1 | C36 | 17.1° | 40.4° |
| H2 | C1 | C2 | N2 | 104.0° | 71.1° |
| O1 | C2 | N2 | C4 | 11.8° | 5.0° |
| O1 | C2 | N2 | H6 | 168.2° | 174.2° |
| H3 | C3 | H4 | H5 | 120.0° | 120.0° |
| C4 | N2 | H6 | C2 | 180.0° | 179.2° |
| N2 | C4 | C5 | C6 | 126.4° | 119.2° |
| N2 | C4 | C5 | H7 | 117.9° | 119.8° |
| N2 | C4 | C6 | H7 | 119.2° | 120.6° |
| N2 | C4 | C5 | O2 | 137.6° | 92.1° |
| N2 | C4 | C6 | C7 | 66.7° | 65.0° |
| N2 | C4 | C6 | H8 | 54.0° | 55.0° |
| N2 | C4 | C6 | H9 | 172.5° | 175.0° |
| N2 | C4 | C5 | N3 | 43.7° | 87.4° |
| H6 | N2 | C4 | C5 | 131.8° | 71.7° |
| H6 | N2 | C4 | C6 | 104.0° | 47.7° |
| H6 | N2 | C4 | H7 | 14.4° | 168.5° |
| C5 | C4 | C6 | H7 | 116.0° | 120.8° |
| C4 | C5 | O2 | N3 | 178.6° | 179.4° |
| C5 | C4 | C6 | C7 | 168.5° | 176.4° |
| C5 | C4 | C6 | H8 | 70.8° | 63.7° |
| C5 | C4 | C6 | H9 | 47.7° | 56.3° |
| C4 | C5 | N3 | C10 | 172.5° | 175.1° |
| C4 | C5 | N3 | H17 | 7.5° | 5.5° |
| C5 | C4 | N2 | C2 | 48.2° | 109.1° |
| C6 | C4 | C5 | O2 | 11.2° | 27.1° |
| C4 | C6 | C7 | H8 | 120.7° | 120.0° |
| C4 | C6 | C7 | H9 | 120.7° | 120.1° |
| C4 | C6 | H8 | H9 | 117.8° | 120.1° |
| C4 | C6 | C7 | C8 | 176.2° | 174.9° |
| C4 | C6 | C7 | C9 | 62.1° | 65.0° |
| C4 | C6 | C7 | H10 | 57.2° | 55.0° |
| C6 | C4 | N2 | C2 | 76.0° | 131.6° |
| C6 | C4 | C5 | N3 | 170.1° | 153.4° |
| H7 | C4 | C5 | O2 | 104.6° | 148.2° |
| H7 | C4 | C6 | C7 | 52.4° | 55.6° |
| H7 | C4 | C6 | H8 | 173.2° | 175.6° |
| H7 | C4 | C6 | H9 | 68.3° | 64.4° |
| H7 | C4 | N2 | C2 | 165.6° | 10.7° |
| H7 | C4 | C5 | N3 | 74.2° | 32.4° |
| O2 | C5 | N3 | C10 | 6.2° | 4.3° |
| O2 | C5 | N3 | H17 | 173.8° | 175.1° |
| C7 | C6 | H8 | H9 | 117.8° | 120.0° |
| C6 | C7 | C8 | C9 | 122.4° | 120.0° |
| C6 | C7 | C8 | H10 | 118.6° | 120.0° |
| C6 | C7 | C9 | H10 | 119.0° | 120.0° |
| C6 | C7 | C8 | H11 | 180.0° | 60.0° |
| C6 | C7 | C8 | H12 | 60.0° | 180.0° |
| C6 | C7 | C8 | H13 | 60.0° | 60.0° |
| C6 | C7 | C9 | H14 | 180.0° | 59.9° |
| C6 | C7 | C9 | H15 | 60.0° | 180.0° |
| C6 | C7 | C9 | H16 | 60.0° | 60.0° |
| H8 | C6 | C7 | C8 | 55.5° | 55.0° |
| H8 | C6 | C7 | C9 | 177.2° | 175.0° |
| H8 | C6 | C7 | H10 | 63.6° | 65.0° |
| H9 | C6 | C7 | C8 | 63.1° | 65.0° |
| H9 | C6 | C7 | C9 | 58.6° | 55.0° |
| H9 | C6 | C7 | H10 | 177.9° | 175.0° |
| C8 | C7 | C9 | H10 | 119.2° | 120.0° |
| C7 | C8 | H11 | H12 | 120.0° | 119.9° |
| C7 | C8 | H11 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H13 | 120.0° | 120.1° |
| C8 | C7 | C9 | H14 | 58.2° | 180.0° |
| C8 | C7 | C9 | H15 | 61.8° | 60.0° |
| C8 | C7 | C9 | H16 | 178.2° | 60.0° |
| C9 | C7 | C8 | H11 | 57.6° | 60.0° |
| C9 | C7 | C8 | H12 | 177.6° | 60.0° |
| C9 | C7 | C8 | H13 | 62.4° | 180.0° |
| C7 | C9 | H14 | H15 | 120.0° | 120.1° |
| C7 | C9 | H14 | H16 | 120.0° | 120.0° |
| C7 | C9 | H15 | H16 | 120.0° | 120.0° |
| H10 | C7 | C8 | H11 | 61.4° | 180.0° |
| H10 | C7 | C8 | H12 | 58.6° | 60.1° |
| H10 | C7 | C8 | H13 | 178.6° | 60.0° |
| H10 | C7 | C9 | H14 | 61.0° | 60.0° |
| H10 | C7 | C9 | H15 | 179.0° | 60.0° |
| H10 | C7 | C9 | H16 | 59.0° | 180.0° |
| H11 | C8 | H12 | H13 | 119.9° | 120.0° |
| H14 | C9 | H15 | H16 | 120.0° | 120.0° |
| C10 | N3 | H17 | C5 | 180.0° | 179.3° |
| N3 | C10 | C11 | C12 | 118.9° | 118.9° |
| N3 | C10 | C11 | H18 | 120.2° | 120.5° |
| N3 | C10 | C12 | H18 | 123.2° | 121.4° |
| N3 | C10 | C11 | O3 | 23.9° | 13.3° |
| N3 | C10 | C12 | C13 | 57.9° | 65.0° |
| N3 | C10 | C12 | H19 | 62.5° | 55.0° |
| N3 | C10 | C12 | H20 | 178.2° | 175.0° |
| N3 | C10 | C11 | N5 | 157.1° | 166.9° |
| H17 | N3 | C10 | C11 | 62.3° | 16.5° |
| H17 | N3 | C10 | C12 | 55.2° | 102.2° |
| H17 | N3 | C10 | H18 | 178.1° | 136.7° |
| C11 | C10 | C12 | H18 | 120.5° | 120.6° |
| C10 | C11 | O3 | N5 | 178.9° | 179.8° |
| C11 | C10 | C12 | C13 | 174.2° | 177.0° |
| C11 | C10 | C12 | H19 | 53.9° | 63.0° |
| C11 | C10 | C12 | H20 | 65.4° | 57.0° |
| C10 | C11 | N5 | C16 | 176.0° | 174.0° |
| C10 | C11 | N5 | H30 | 4.0° | 6.7° |
| C11 | C10 | N3 | C5 | 117.6° | 162.9° |
| C12 | C10 | C11 | O3 | 94.9° | 132.2° |
| C10 | C12 | C13 | H19 | 120.3° | 119.9° |
| C10 | C12 | C13 | H20 | 120.3° | 120.0° |
| C10 | C12 | H19 | H20 | 119.0° | 120.1° |
| C10 | C12 | C13 | C14 | 66.0° | 180.0° |
| C10 | C12 | C13 | H21 | 54.7° | 60.0° |
| C10 | C12 | C13 | H22 | 173.4° | 60.0° |
| C12 | C10 | N3 | C5 | 124.8° | 78.4° |
| C12 | C10 | C11 | N5 | 84.1° | 48.0° |
| H18 | C10 | C11 | O3 | 144.1° | 107.2° |
| H18 | C10 | C12 | C13 | 65.3° | 56.5° |
| H18 | C10 | C12 | H19 | 174.4° | 176.4° |
| H18 | C10 | C12 | H20 | 55.0° | 63.6° |
| H18 | C10 | N3 | C5 | 1.9° | 42.7° |
| H18 | C10 | C11 | N5 | 36.9° | 72.6° |
| O3 | C11 | N5 | C16 | 5.0° | 6.2° |
| O3 | C11 | N5 | H30 | 175.0° | 173.1° |
| C13 | C12 | H19 | H20 | 119.0° | 120.0° |
| C12 | C13 | C14 | H21 | 120.6° | 120.0° |
| C12 | C13 | C14 | H22 | 120.6° | 120.1° |
| C12 | C13 | H21 | H22 | 118.1° | 120.1° |
| C12 | C13 | C14 | C15 | 174.3° | 180.0° |
| C12 | C13 | C14 | H23 | 54.4° | 60.0° |
| C12 | C13 | C14 | H24 | 65.8° | 60.0° |
| H19 | C12 | C13 | C14 | 173.7° | 60.1° |
| H19 | C12 | C13 | H21 | 65.7° | 180.0° |
| H19 | C12 | C13 | H22 | 53.1° | 60.0° |
| H20 | C12 | C13 | C14 | 54.4° | 60.0° |
| H20 | C12 | C13 | H21 | 175.0° | 60.0° |
| H20 | C12 | C13 | H22 | 66.2° | 180.0° |
| C14 | C13 | H21 | H22 | 118.1° | 119.9° |
| C13 | C14 | C15 | H23 | 120.0° | 120.0° |
| C13 | C14 | C15 | H24 | 119.9° | 120.0° |
| C13 | C14 | H23 | H24 | 120.2° | 120.0° |
| C13 | C14 | C15 | N4 | 170.0° | 180.0° |
| C13 | C14 | C15 | H25 | 51.0° | 60.0° |
| C13 | C14 | C15 | H26 | 71.1° | 60.0° |
| H21 | C13 | C14 | C15 | 65.1° | 60.0° |
| H21 | C13 | C14 | H23 | 175.0° | NaN° |
| H21 | C13 | C14 | H24 | 54.9° | 60.0° |
| H22 | C13 | C14 | C15 | 53.7° | 59.9° |
| H22 | C13 | C14 | H23 | 66.3° | 60.1° |
| H22 | C13 | C14 | H24 | 173.6° | 179.9° |
| C15 | C14 | H23 | H24 | 120.2° | 120.0° |
| C14 | C15 | N4 | H25 | 118.9° | 120.1° |
| C14 | C15 | N4 | H26 | 118.9° | 120.0° |
| C14 | C15 | H25 | H26 | 123.1° | 120.1° |
| C14 | C15 | N4 | H27 | 180.0° | 60.0° |
| C14 | C15 | N4 | H28 | 60.0° | 180.0° |
| C14 | C15 | N4 | H29 | 60.0° | 60.0° |
| H23 | C14 | C15 | N4 | 70.1° | 60.0° |
| H23 | C14 | C15 | H25 | 170.9° | 180.0° |
| H23 | C14 | C15 | H26 | 48.8° | 59.9° |
| H24 | C14 | C15 | N4 | 50.0° | 60.0° |
| H24 | C14 | C15 | H25 | 68.9° | 60.0° |
| H24 | C14 | C15 | H26 | 169.0° | 180.0° |
| N4 | C15 | H25 | H26 | 123.0° | 119.9° |
| C15 | N4 | H27 | H28 | 120.1° | 119.9° |
| C15 | N4 | H27 | H29 | 120.0° | 120.0° |
| C15 | N4 | H28 | H29 | 120.0° | 120.0° |
| H25 | C15 | N4 | H27 | 61.0° | 60.0° |
| H25 | C15 | N4 | H28 | 178.9° | 59.9° |
| H25 | C15 | N4 | H29 | 59.0° | 180.0° |
| H26 | C15 | N4 | H27 | 61.1° | 180.0° |
| H26 | C15 | N4 | H28 | 59.0° | 60.0° |
| H26 | C15 | N4 | H29 | 178.9° | 60.0° |
| H27 | N4 | H28 | H29 | 120.0° | 120.0° |
| C16 | N5 | H30 | C11 | 180.0° | 179.3° |
| N5 | C16 | C17 | C18 | 122.0° | 119.7° |
| N5 | C16 | C17 | H31 | 119.5° | 119.3° |
| N5 | C16 | C18 | H31 | 118.5° | 120.5° |
| N5 | C16 | C17 | O4 | 155.9° | 91.9° |
| N5 | C16 | C18 | C19 | 64.3° | 55.6° |
| N5 | C16 | C18 | C20 | 172.6° | 175.6° |
| N5 | C16 | C18 | H32 | 53.7° | 64.5° |
| N5 | C16 | C17 | N6 | 31.7° | 87.9° |
| H30 | N5 | C16 | C17 | 117.3° | 69.8° |
| H30 | N5 | C16 | C18 | 5.8° | 50.0° |
| H30 | N5 | C16 | H31 | 123.6° | 171.0° |
| C17 | C16 | C18 | H31 | 118.8° | 120.4° |
| C16 | C17 | O4 | N6 | 171.7° | 179.8° |
| C17 | C16 | C18 | C19 | 173.0° | 174.6° |
| C17 | C16 | C18 | C20 | 49.9° | 65.3° |
| C17 | C16 | C18 | H32 | 69.0° | 54.6° |
| C16 | C17 | N6 | C22 | 179.2° | 174.9° |
| C16 | C17 | N6 | H41 | 0.8° | 5.5° |
| C17 | C16 | N5 | C11 | 62.7° | 110.9° |
| C18 | C16 | C17 | O4 | 82.1° | 27.8° |
| C16 | C18 | C19 | C20 | 124.6° | 120.0° |
| C16 | C18 | C19 | H32 | 118.2° | 120.0° |
| C16 | C18 | C20 | H32 | 118.7° | 119.9° |
| C16 | C18 | C19 | C21 | 60.5° | 175.0° |
| C16 | C18 | C19 | H33 | 60.3° | 65.0° |
| C16 | C18 | C19 | H34 | 178.6° | 55.0° |
| C16 | C18 | C20 | H35 | 180.0° | 173.5° |
| C16 | C18 | C20 | H36 | 60.0° | 53.5° |
| C16 | C18 | C20 | H37 | 60.0° | 66.6° |
| C18 | C16 | N5 | C11 | 174.2° | 129.3° |
| C18 | C16 | C17 | N6 | 90.3° | 152.4° |
| H31 | C16 | C17 | O4 | 36.3° | 148.8° |
| H31 | C16 | C18 | C19 | 54.2° | 65.0° |
| H31 | C16 | C18 | C20 | 68.9° | 55.1° |
| H31 | C16 | C18 | H32 | 172.2° | 175.0° |
| H31 | C16 | N5 | C11 | 56.4° | 8.3° |
| H31 | C16 | C17 | N6 | 151.2° | 31.4° |
| O4 | C17 | N6 | C22 | 7.0° | 4.9° |
| O4 | C17 | N6 | H41 | 173.0° | 174.7° |
| C19 | C18 | C20 | H32 | 116.9° | 120.1° |
| C18 | C19 | C21 | H33 | 120.8° | 120.1° |
| C18 | C19 | C21 | H34 | 120.8° | 120.0° |
| C18 | C19 | H33 | H34 | 117.3° | 120.1° |
| C19 | C18 | C20 | H35 | 55.7° | 66.5° |
| C19 | C18 | C20 | H36 | 175.7° | 173.5° |
| C19 | C18 | C20 | H37 | 64.3° | 53.4° |
| C18 | C19 | C21 | H38 | 180.0° | 180.0° |
| C18 | C19 | C21 | H39 | 60.0° | 60.0° |
| C18 | C19 | C21 | H40 | 60.0° | 60.0° |
| C20 | C18 | C19 | C21 | 64.1° | 65.0° |
| C20 | C18 | C19 | H33 | 175.1° | 55.0° |
| C20 | C18 | C19 | H34 | 56.8° | 175.0° |
| C18 | C20 | H35 | H36 | 120.0° | 120.1° |
| C18 | C20 | H35 | H37 | 120.0° | 119.9° |
| C18 | C20 | H36 | H37 | 120.0° | 120.0° |
| H32 | C18 | C19 | C21 | 178.7° | 55.0° |
| H32 | C18 | C19 | H33 | 57.9° | 175.0° |
| H32 | C18 | C19 | H34 | 60.4° | 64.9° |
| H32 | C18 | C20 | H35 | 61.2° | 53.6° |
| H32 | C18 | C20 | H36 | 58.7° | 66.5° |
| H32 | C18 | C20 | H37 | 178.7° | 173.5° |
| C21 | C19 | H33 | H34 | 117.4° | 119.9° |
| C19 | C21 | H38 | H39 | 120.0° | 120.0° |
| C19 | C21 | H38 | H40 | 120.0° | 120.0° |
| C19 | C21 | H39 | H40 | 120.0° | 120.0° |
| H33 | C19 | C21 | H38 | 59.2° | 59.9° |
| H33 | C19 | C21 | H39 | 179.2° | 179.9° |
| H33 | C19 | C21 | H40 | 60.8° | 60.0° |
| H34 | C19 | C21 | H38 | 59.2° | 60.0° |
| H34 | C19 | C21 | H39 | 60.8° | 60.0° |
| H34 | C19 | C21 | H40 | 179.2° | 180.0° |
| H35 | C20 | H36 | H37 | 120.0° | 120.0° |
| H38 | C21 | H39 | H40 | 120.0° | 120.0° |
| C22 | N6 | H41 | C17 | 180.0° | 179.6° |
| N6 | C22 | C23 | C24 | 124.8° | 118.9° |
| N6 | C22 | C23 | H42 | 119.4° | 120.5° |
| N6 | C22 | C24 | H42 | 119.0° | 121.4° |
| N6 | C22 | C23 | O5 | 175.5° | 12.4° |
| N6 | C22 | C24 | C25 | 54.1° | 56.8° |
| N6 | C22 | C24 | H43 | 174.7° | 176.8° |
| N6 | C22 | C24 | H44 | 66.5° | 63.2° |
| N6 | C22 | C23 | N7 | 4.1° | 167.7° |
| H41 | N6 | C22 | C23 | 86.4° | 17.5° |
| H41 | N6 | C22 | C24 | 36.8° | 101.3° |
| H41 | N6 | C22 | H42 | 154.9° | 137.5° |
| C23 | C22 | C24 | H42 | 116.1° | 120.5° |
| C22 | C23 | O5 | N7 | 179.6° | 179.9° |
| C23 | C22 | C24 | C25 | 70.9° | 61.3° |
| C23 | C22 | C24 | H43 | 49.7° | 58.7° |
| C23 | C22 | C24 | H44 | 168.6° | 178.7° |
| C22 | C23 | N7 | C26 | 179.8° | 174.4° |
| C22 | C23 | N7 | H46 | 0.2° | 6.5° |
| C23 | C22 | N6 | C17 | 93.6° | 162.2° |
| C24 | C22 | C23 | O5 | 50.7° | 131.3° |
| C22 | C24 | C25 | H43 | 120.6° | 119.9° |
| C22 | C24 | C25 | H44 | 120.6° | 120.0° |
| C22 | C24 | H43 | H44 | 118.2° | 120.0° |
| C22 | C24 | C25 | O6 | 7.8° | 1.1° |
| C22 | C24 | C25 | O7 | 171.5° | 178.9° |
| C24 | C22 | N6 | C17 | 143.2° | 79.1° |
| C24 | C22 | C23 | N7 | 128.9° | 48.8° |
| H42 | C22 | C23 | O5 | 65.1° | 108.0° |
| H42 | C22 | C24 | C25 | 173.0° | 178.2° |
| H42 | C22 | C24 | H43 | 66.4° | 61.8° |
| H42 | C22 | C24 | H44 | 52.5° | 58.2° |
| H42 | C22 | N6 | C17 | 25.1° | 42.1° |
| H42 | C22 | C23 | N7 | 115.3° | 71.9° |
| O5 | C23 | N7 | C26 | 0.2° | 5.7° |
| O5 | C23 | N7 | H46 | 179.8° | 173.4° |
| C25 | C24 | H43 | H44 | 118.2° | 120.0° |
| C24 | C25 | O6 | O7 | 179.3° | 180.0° |
| C24 | C25 | O7 | H45 | 179.3° | 180.0° |
| H43 | C24 | C25 | O6 | 128.4° | 118.8° |
| H43 | C24 | C25 | O7 | 50.9° | 61.2° |
| H44 | C24 | C25 | O6 | 112.8° | 121.2° |
| H44 | C24 | C25 | O7 | 67.9° | 58.9° |
| O6 | C25 | O7 | H45 | 0.0° | 0.0° |
| C26 | N7 | H46 | C23 | 180.0° | 179.0° |
| N7 | C26 | C27 | C28 | 120.4° | 119.4° |
| N7 | C26 | C27 | H47 | 119.1° | 119.7° |
| N7 | C26 | C28 | H47 | 120.0° | 120.6° |
| N7 | C26 | C27 | O8 | 89.6° | 90.7° |
| N7 | C26 | C28 | C29 | 177.8° | 65.0° |
| N7 | C26 | C28 | H48 | 61.8° | 55.0° |
| N7 | C26 | C28 | H49 | 57.4° | 175.0° |
| N7 | C26 | C27 | N9 | 87.0° | 88.8° |
| H46 | N7 | C26 | C27 | 9.9° | 71.0° |
| H46 | N7 | C26 | C28 | 111.1° | 48.5° |
| H46 | N7 | C26 | H47 | 129.1° | 169.4° |
| C27 | C26 | C28 | H47 | 120.7° | 120.6° |
| C26 | C27 | O8 | N9 | 176.2° | 179.4° |
| C27 | C26 | C28 | C29 | 58.6° | 176.1° |
| C27 | C26 | C28 | H48 | 178.9° | 63.9° |
| C27 | C26 | C28 | H49 | 61.8° | 56.1° |
| C26 | C27 | N9 | C30 | 171.4° | 174.8° |
| C26 | C27 | N9 | H52 | 8.6° | 5.6° |
| C27 | C26 | N7 | C23 | 170.1° | 109.9° |
| C28 | C26 | C27 | O8 | 30.7° | 28.7° |
| C26 | C28 | C29 | H48 | 120.4° | 120.0° |
| C26 | C28 | C29 | H49 | 120.4° | 120.0° |
| C26 | C28 | H48 | H49 | 118.8° | 120.0° |
| C26 | C28 | C29 | O9 | 3.2° | 0.0° |
| C26 | C28 | C29 | N8 | 170.4° | 180.0° |
| C28 | C26 | N7 | C23 | 68.8° | 130.5° |
| C28 | C26 | C27 | N9 | 152.7° | 151.8° |
| H47 | C26 | C27 | O8 | 151.2° | 149.6° |
| H47 | C26 | C28 | C29 | 62.2° | 55.6° |
| H47 | C26 | C28 | H48 | 58.2° | 175.5° |
| H47 | C26 | C28 | H49 | 177.4° | 64.5° |
| H47 | C26 | N7 | C23 | 50.9° | 9.7° |
| H47 | C26 | C27 | N9 | 32.2° | 31.0° |
| O8 | C27 | N9 | C30 | 5.0° | 4.7° |
| O8 | C27 | N9 | H52 | 175.0° | 174.9° |
| C29 | C28 | H48 | H49 | 118.9° | 120.0° |
| C28 | C29 | O9 | N8 | 173.2° | 180.0° |
| C28 | C29 | N8 | H50 | 173.4° | 0.0° |
| C28 | C29 | N8 | H51 | 6.6° | 180.0° |
| H48 | C28 | C29 | O9 | 123.6° | 120.0° |
| H48 | C28 | C29 | N8 | 50.1° | 60.0° |
| H49 | C28 | C29 | O9 | 117.1° | 120.0° |
| H49 | C28 | C29 | N8 | 69.2° | 60.0° |
| O9 | C29 | N8 | H50 | 0.0° | 180.0° |
| O9 | C29 | N8 | H51 | 180.0° | 0.0° |
| C29 | N8 | H50 | H51 | 179.9° | 180.0° |
| C30 | N9 | H52 | C27 | 180.0° | 179.6° |
| N9 | C30 | C31 | C32 | 124.1° | 118.8° |
| N9 | C30 | C31 | H53 | 117.5° | 120.6° |
| N9 | C30 | C32 | H53 | 118.2° | 121.4° |
| N9 | C30 | C31 | O10 | 164.0° | 13.6° |
| N9 | C30 | C32 | C33 | 79.8° | 65.0° |
| N9 | C30 | C32 | H54 | 40.9° | 55.0° |
| N9 | C30 | C32 | H55 | 159.6° | 175.0° |
| N9 | C30 | C31 | N10 | 11.8° | 166.6° |
| H52 | N9 | C30 | C31 | 105.2° | 16.2° |
| H52 | N9 | C30 | C32 | 19.9° | 102.4° |
| H52 | N9 | C30 | H53 | 137.8° | 136.5° |
| C31 | C30 | C32 | H53 | 118.3° | 120.6° |
| C30 | C31 | O10 | N10 | 175.7° | 179.8° |
| C31 | C30 | C32 | C33 | 156.7° | 177.0° |
| C31 | C30 | C32 | H54 | 82.6° | 63.0° |
| C31 | C30 | C32 | H55 | 36.1° | 57.0° |
| C30 | C31 | N10 | C35 | 171.5° | 173.9° |
| C30 | C31 | N10 | H61 | 8.5° | 6.6° |
| C31 | C30 | N9 | C27 | 74.8° | 163.4° |
| C32 | C30 | C31 | O10 | 71.9° | 132.3° |
| C30 | C32 | C33 | H54 | 120.6° | 120.0° |
| C30 | C32 | C33 | H55 | 120.6° | 120.0° |
| C30 | C32 | H54 | H55 | 118.1° | 120.0° |
| C30 | C32 | C33 | S1 | 62.7° | 180.0° |
| C30 | C32 | C33 | H56 | 57.7° | 60.0° |
| C30 | C32 | C33 | H57 | 176.9° | 60.0° |
| C32 | C30 | N9 | C27 | 160.1° | 78.0° |
| C32 | C30 | C31 | N10 | 112.3° | 47.8° |
| H53 | C30 | C31 | O10 | 46.5° | 107.0° |
| H53 | C30 | C32 | C33 | 38.4° | 56.4° |
| H53 | C30 | C32 | H54 | 159.1° | 176.4° |
| H53 | C30 | C32 | H55 | 82.2° | 63.6° |
| H53 | C30 | N9 | C27 | 42.2° | 43.1° |
| H53 | C30 | C31 | N10 | 129.3° | 72.8° |
| O10 | C31 | N10 | C35 | 4.1° | 6.3° |
| O10 | C31 | N10 | H61 | 175.9° | 173.3° |
| C33 | C32 | H54 | H55 | 118.1° | 120.0° |
| C32 | C33 | S1 | H56 | 120.4° | 120.0° |
| C32 | C33 | S1 | H57 | 120.3° | 120.0° |
| C32 | C33 | H56 | H57 | 118.8° | 120.0° |
| C32 | C33 | S1 | C34 | 75.4° | 180.0° |
| H54 | C32 | C33 | S1 | 176.7° | 60.0° |
| H54 | C32 | C33 | H56 | 63.0° | 180.0° |
| H54 | C32 | C33 | H57 | 56.3° | 60.0° |
| H55 | C32 | C33 | S1 | 57.9° | 60.0° |
| H55 | C32 | C33 | H56 | 178.3° | 60.0° |
| H55 | C32 | C33 | H57 | 62.5° | 180.0° |
| S1 | C33 | H56 | H57 | 118.9° | 120.0° |
| C33 | S1 | C34 | H58 | 180.0° | 180.0° |
| C33 | S1 | C34 | H59 | 60.0° | 60.0° |
| C33 | S1 | C34 | H60 | 60.0° | 60.0° |
| H56 | C33 | S1 | C34 | 164.2° | 60.0° |
| H57 | C33 | S1 | C34 | 45.0° | 60.0° |
| S1 | C34 | H58 | H59 | 120.0° | 120.0° |
| S1 | C34 | H58 | H60 | 120.0° | 120.0° |
| S1 | C34 | H59 | H60 | 120.0° | 120.0° |
| H58 | C34 | H59 | H60 | 120.0° | 120.0° |
| C35 | N10 | H61 | C31 | 180.0° | 179.5° |
| N10 | C35 | C36 | C37 | 116.8° | 119.7° |
| N10 | C35 | C36 | H62 | 122.7° | 119.3° |
| N10 | C35 | C37 | H62 | 124.8° | 120.7° |
| N10 | C35 | C36 | O11 | 158.3° | 93.6° |
| N10 | C35 | C37 | C38 | 73.1° | 65.0° |
| N10 | C35 | C37 | H63 | 47.3° | 54.9° |
| N10 | C35 | C37 | H64 | 166.5° | 175.0° |
| N10 | C35 | C36 | N1 | 25.3° | 86.0° |
| H61 | N10 | C35 | C36 | 114.1° | 68.6° |
| H61 | N10 | C35 | C37 | 0.9° | 51.2° |
| H61 | N10 | C35 | H62 | 123.8° | 172.3° |
| C36 | C35 | C37 | H62 | 120.0° | 120.4° |
| C35 | C36 | O11 | N1 | 176.3° | 179.5° |
| C36 | C35 | C37 | C38 | 171.7° | 176.0° |
| C36 | C35 | C37 | H63 | 67.9° | 64.0° |
| C36 | C35 | C37 | H64 | 51.3° | 56.0° |
| C36 | C35 | N10 | C31 | 65.9° | 111.9° |
| C37 | C35 | C36 | O11 | 84.9° | 26.2° |
| C35 | C37 | C38 | H63 | 120.4° | 119.9° |
| C35 | C37 | C38 | H64 | 120.4° | 120.1° |
| C35 | C37 | H63 | H64 | 118.8° | 120.1° |
| C35 | C37 | C38 | O12 | 14.3° | 0.0° |
| C35 | C37 | C38 | O13 | 166.9° | 179.9° |
| C37 | C35 | C36 | N1 | 91.5° | 154.3° |
| C37 | C35 | N10 | C31 | 179.1° | 128.3° |
| H62 | C35 | C36 | O11 | 35.6° | 147.1° |
| H62 | C35 | C37 | C38 | 51.7° | 55.7° |
| H62 | C35 | C37 | H63 | 172.1° | 175.6° |
| H62 | C35 | C37 | H64 | 68.7° | 64.4° |
| H62 | C35 | C36 | N1 | 147.9° | 33.3° |
| H62 | C35 | N10 | C31 | 56.2° | 7.3° |
| C38 | C37 | H63 | H64 | 118.8° | 120.0° |
| C37 | C38 | O12 | O13 | 178.7° | 179.9° |
| C37 | C38 | O13 | H65 | 178.6° | 180.0° |
| H63 | C37 | C38 | O12 | 134.7° | 119.9° |
| H63 | C37 | C38 | O13 | 46.5° | 60.0° |
| H64 | C37 | C38 | O12 | 106.1° | 120.1° |
| H64 | C37 | C38 | O13 | 72.7° | 60.0° |
| O12 | C38 | O13 | H65 | 0.0° | 0.1° |
