PRD_000825
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.47Å | |
| N1 | H1 | sing | 0.98Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.56Å | |
| 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 | 1.51Å | |
| 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 | 1.23Å | |
| C6 | O3 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.58Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N3 | C8 | sing | 1.48Å | 1.47Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O4 | doub | 1.21Å | 1.21Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | N4 | sing | 1.47Å | 1.47Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | H23 | sing | 1.01Å | 1.00Å | |
| N4 | H24 | sing | 1.01Å | 1.00Å | |
| N4 | H25 | sing | 1.01Å | 1.00Å | |
| N5 | C14 | sing | 1.48Å | 1.49Å | |
| N5 | H26 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C14 | C16 | sing | 1.53Å | 1.56Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | O5 | doub | 1.21Å | 1.26Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.50Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | C19 | sing | 1.53Å | 1.50Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| N6 | C20 | sing | 1.48Å | 1.48Å | |
| N6 | H37 | sing | 0.98Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C20 | C22 | sing | 1.53Å | 1.56Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | O6 | doub | 1.21Å | 1.22Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | O7 | doub | 1.21Å | 1.24Å | |
| C23 | O8 | sing | 1.34Å | 1.26Å | |
| O8 | H41 | sing | 0.97Å | 0.95Å | |
| N7 | C24 | sing | 1.48Å | 1.48Å | |
| N7 | H42 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | O9 | doub | 1.21Å | 1.28Å | |
| C26 | C27 | sing | 1.51Å | 1.56Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | O10 | doub | 1.21Å | 1.23Å | |
| C27 | N8 | sing | 1.35Å | 1.33Å | |
| N8 | H46 | sing | 0.97Å | 1.00Å | |
| N8 | H47 | sing | 0.97Å | 1.00Å | |
| N9 | C28 | sing | 1.48Å | 1.47Å | |
| N9 | H48 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.56Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | O11 | doub | 1.21Å | 1.24Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C31 | C33 | sing | 1.53Å | 1.58Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| N10 | C34 | sing | 1.48Å | 1.49Å | |
| N10 | H59 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | O12 | doub | 1.21Å | 1.24Å | |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C37 | O13 | doub | 1.21Å | 1.25Å | |
| C37 | O14 | sing | 1.34Å | 1.25Å | |
| O14 | H63 | sing | 0.97Å | 0.95Å | |
| N1 | C35 | sing | 1.36Å | 1.34Å | |
| C2 | N2 | sing | 1.36Å | 1.34Å | |
| C5 | N3 | sing | 1.36Å | 1.33Å | |
| C9 | N5 | sing | 1.36Å | 1.33Å | |
| C15 | N6 | sing | 1.36Å | 1.34Å | |
| C21 | N7 | sing | 1.36Å | 1.34Å | |
| C25 | N9 | sing | 1.36Å | 1.33Å | |
| C29 | N10 | sing | 1.36Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 118.0° | 121.5° |
| N1 | C1 | C2 | 112.5° | 108.2° |
| N1 | C1 | C3 | 109.9° | 109.4° |
| N1 | C1 | H2 | 108.4° | 110.7° |
| C1 | N1 | C35 | 124.0° | 116.8° |
| H1 | N1 | C35 | 118.0° | 121.7° |
| C2 | C1 | C3 | 111.2° | 109.0° |
| C2 | C1 | H2 | 107.4° | 109.6° |
| C1 | C2 | O1 | 120.5° | 120.3° |
| C1 | C2 | N2 | 116.9° | 118.4° |
| C3 | C1 | H2 | 107.2° | 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 | 122.6° | 121.3° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| H3 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| C4 | N2 | H6 | 117.7° | 121.3° |
| N2 | C4 | C5 | 116.4° | 108.5° |
| N2 | C4 | C6 | 113.4° | 109.3° |
| N2 | C4 | H7 | 105.6° | 109.7° |
| C4 | N2 | C2 | 124.6° | 117.2° |
| H6 | N2 | C2 | 117.7° | 121.5° |
| C5 | C4 | C6 | 110.1° | 109.5° |
| C5 | C4 | H7 | 105.3° | 109.8° |
| C4 | C5 | O2 | 121.0° | 120.0° |
| C4 | C5 | N3 | 116.9° | 118.8° |
| C6 | C4 | H7 | 104.9° | 110.1° |
| C4 | C6 | O3 | 109.5° | 109.5° |
| C4 | C6 | C7 | 111.4° | 109.5° |
| C4 | C6 | H8 | 107.8° | 109.5° |
| O2 | C5 | N3 | 122.0° | 121.1° |
| O3 | C6 | C7 | 110.5° | 109.5° |
| O3 | C6 | H8 | 109.7° | 109.5° |
| C6 | O3 | H9 | 109.5° | 114.1° |
| C7 | C6 | H8 | 107.9° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| C6 | C7 | H12 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.4° | 109.5° |
| H10 | C7 | H12 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C8 | N3 | H13 | 119.2° | 121.5° |
| N3 | C8 | C9 | 107.2° | 108.0° |
| N3 | C8 | C10 | 109.4° | 109.4° |
| N3 | C8 | H14 | 110.8° | 110.4° |
| C8 | N3 | C5 | 121.6° | 116.2° |
| H13 | N3 | C5 | 119.2° | 122.3° |
| C9 | C8 | C10 | 109.7° | 109.2° |
| C9 | C8 | H14 | 110.0° | 109.9° |
| C8 | C9 | O4 | 119.4° | 119.9° |
| C8 | C9 | N5 | 118.5° | 119.2° |
| C10 | C8 | H14 | 109.8° | 109.9° |
| C8 | C10 | C11 | 114.7° | 109.5° |
| C8 | C10 | H15 | 108.1° | 109.5° |
| C8 | C10 | H16 | 108.1° | 109.5° |
| O4 | C9 | N5 | 122.1° | 120.9° |
| C11 | C10 | H15 | 108.1° | 109.5° |
| C11 | C10 | H16 | 108.1° | 109.4° |
| C10 | C11 | C12 | 109.9° | 109.5° |
| C10 | C11 | H17 | 109.3° | 109.5° |
| C10 | C11 | H18 | 109.4° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| C12 | C11 | H17 | 109.4° | 109.5° |
| C12 | C11 | H18 | 109.4° | 109.5° |
| C11 | C12 | C13 | 109.0° | 109.5° |
| C11 | C12 | H19 | 109.6° | 109.5° |
| C11 | C12 | H20 | 109.6° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| C13 | C12 | H19 | 109.6° | 109.4° |
| C13 | C12 | H20 | 109.6° | 109.4° |
| C12 | C13 | N4 | 106.1° | 109.5° |
| C12 | C13 | H21 | 110.3° | 109.4° |
| C12 | C13 | H22 | 110.3° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| N4 | C13 | H21 | 110.3° | 109.5° |
| N4 | C13 | H22 | 110.3° | 109.5° |
| C13 | N4 | H23 | 109.5° | 109.4° |
| C13 | N4 | H24 | 109.5° | 109.5° |
| C13 | N4 | H25 | 109.5° | 109.4° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| H23 | N4 | H24 | 109.4° | 109.5° |
| H23 | N4 | H25 | 109.4° | 109.4° |
| H24 | N4 | H25 | 109.5° | 109.5° |
| C14 | N5 | H26 | 119.3° | 121.4° |
| N5 | C14 | C15 | 111.6° | 108.5° |
| N5 | C14 | C16 | 111.2° | 109.6° |
| N5 | C14 | H27 | 108.8° | 109.5° |
| C14 | N5 | C9 | 121.4° | 116.7° |
| H26 | N5 | C9 | 119.3° | 121.8° |
| C15 | C14 | C16 | 109.1° | 109.7° |
| C15 | C14 | H27 | 108.1° | 109.2° |
| C14 | C15 | O5 | 121.7° | 120.1° |
| C14 | C15 | N6 | 114.7° | 118.5° |
| C16 | C14 | H27 | 108.0° | 110.3° |
| C14 | C16 | C17 | 111.7° | 109.5° |
| C14 | C16 | C18 | 109.8° | 109.5° |
| C14 | C16 | H28 | 108.2° | 109.4° |
| O5 | C15 | N6 | 123.6° | 121.4° |
| C17 | C16 | C18 | 109.9° | 109.5° |
| C17 | C16 | H28 | 108.5° | 109.5° |
| C16 | C17 | C19 | 113.8° | 109.5° |
| C16 | C17 | H29 | 108.4° | 109.4° |
| C16 | C17 | H30 | 108.4° | 109.5° |
| C18 | C16 | H28 | 108.8° | 109.5° |
| C16 | C18 | H31 | 109.5° | 109.5° |
| C16 | C18 | H32 | 109.5° | 109.5° |
| C16 | C18 | H33 | 109.5° | 109.4° |
| C19 | C17 | H29 | 108.4° | 109.4° |
| C19 | C17 | H30 | 108.4° | 109.5° |
| C17 | C19 | H34 | 109.5° | 109.5° |
| C17 | C19 | H35 | 109.5° | 109.5° |
| C17 | C19 | H36 | 109.4° | 109.5° |
| H29 | C17 | H30 | 109.4° | 109.5° |
| H31 | C18 | H32 | 109.4° | 109.5° |
| H31 | C18 | H33 | 109.5° | 109.4° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H34 | C19 | H35 | 109.5° | 109.4° |
| H34 | C19 | H36 | 109.5° | 109.5° |
| H35 | C19 | H36 | 109.5° | 109.4° |
| C20 | N6 | H37 | 118.9° | 121.7° |
| N6 | C20 | C21 | 110.3° | 108.1° |
| N6 | C20 | C22 | 111.6° | 109.4° |
| N6 | C20 | H38 | 108.5° | 110.5° |
| C20 | N6 | C15 | 122.2° | 116.3° |
| H37 | N6 | C15 | 118.9° | 122.0° |
| C21 | C20 | C22 | 111.1° | 109.1° |
| C21 | C20 | H38 | 107.7° | 109.8° |
| C20 | C21 | O6 | 119.7° | 120.1° |
| C20 | C21 | N7 | 117.6° | 118.8° |
| C22 | C20 | H38 | 107.5° | 109.9° |
| C20 | C22 | C23 | 112.7° | 109.4° |
| C20 | C22 | H39 | 108.7° | 109.5° |
| C20 | C22 | H40 | 108.7° | 109.5° |
| O6 | C21 | N7 | 122.6° | 121.2° |
| C23 | C22 | H39 | 108.6° | 109.4° |
| C23 | C22 | H40 | 108.6° | 109.5° |
| C22 | C23 | O7 | 119.7° | 120.0° |
| C22 | C23 | O8 | 119.7° | 120.0° |
| H39 | C22 | H40 | 109.5° | 109.6° |
| O7 | C23 | O8 | 120.6° | 120.0° |
| C23 | O8 | H41 | 109.5° | 117.0° |
| C24 | N7 | H42 | 119.7° | 121.4° |
| N7 | C24 | C25 | 106.6° | 108.5° |
| N7 | C24 | C26 | 112.5° | 109.3° |
| N7 | C24 | H43 | 108.1° | 109.6° |
| C24 | N7 | C21 | 120.6° | 117.0° |
| H42 | N7 | C21 | 119.7° | 121.6° |
| C25 | C24 | C26 | 114.5° | 109.7° |
| C25 | C24 | H43 | 107.6° | 109.6° |
| C24 | C25 | O9 | 122.9° | 120.0° |
| C24 | C25 | N9 | 113.2° | 118.8° |
| C26 | C24 | H43 | 107.3° | 110.2° |
| C24 | C26 | C27 | 113.1° | 109.5° |
| C24 | C26 | H44 | 108.6° | 109.5° |
| C24 | C26 | H45 | 108.6° | 109.4° |
| O9 | C25 | N9 | 123.7° | 121.2° |
| C27 | C26 | H44 | 108.5° | 109.5° |
| C27 | C26 | H45 | 108.5° | 109.5° |
| C26 | C27 | O10 | 122.0° | 120.0° |
| C26 | C27 | N8 | 115.9° | 120.0° |
| H44 | C26 | H45 | 109.5° | 109.5° |
| O10 | C27 | N8 | 122.1° | 120.0° |
| C27 | N8 | H46 | 120.0° | 120.0° |
| C27 | N8 | H47 | 120.0° | 120.0° |
| H46 | N8 | H47 | 120.0° | 120.0° |
| C28 | N9 | H48 | 120.9° | 121.5° |
| N9 | C28 | C29 | 110.5° | 108.1° |
| N9 | C28 | C30 | 111.8° | 109.3° |
| N9 | C28 | H49 | 107.4° | 110.4° |
| C28 | N9 | C25 | 118.2° | 116.2° |
| H48 | N9 | C25 | 120.9° | 122.2° |
| C29 | C28 | C30 | 113.6° | 109.2° |
| C29 | C28 | H49 | 106.4° | 110.0° |
| C28 | C29 | O11 | 119.3° | 120.1° |
| C28 | C29 | N10 | 116.6° | 119.0° |
| C30 | C28 | H49 | 106.7° | 109.9° |
| C28 | C30 | C31 | 114.3° | 109.4° |
| C28 | C30 | H50 | 108.2° | 109.5° |
| C28 | C30 | H51 | 108.2° | 109.5° |
| O11 | C29 | N10 | 124.1° | 120.9° |
| C31 | C30 | H50 | 108.3° | 109.4° |
| C31 | C30 | H51 | 108.3° | 109.5° |
| C30 | C31 | C32 | 107.1° | 109.5° |
| C30 | C31 | C33 | 113.2° | 109.5° |
| C30 | C31 | H52 | 108.4° | 109.5° |
| H50 | C30 | H51 | 109.5° | 109.5° |
| C32 | C31 | C33 | 111.2° | 109.5° |
| C32 | C31 | H52 | 108.9° | 109.5° |
| C31 | C32 | H53 | 109.5° | 109.5° |
| C31 | C32 | H54 | 109.5° | 109.5° |
| C31 | C32 | H55 | 109.4° | 109.5° |
| C33 | C31 | H52 | 107.9° | 109.4° |
| C31 | C33 | H56 | 109.5° | 109.4° |
| C31 | C33 | H57 | 109.5° | 109.5° |
| C31 | C33 | H58 | 109.5° | 109.4° |
| H53 | C32 | H54 | 109.4° | 109.5° |
| H53 | C32 | H55 | 109.4° | 109.5° |
| H54 | C32 | H55 | 109.5° | 109.4° |
| H56 | C33 | H57 | 109.5° | 109.5° |
| H56 | C33 | H58 | 109.5° | 109.5° |
| H57 | C33 | H58 | 109.5° | 109.5° |
| C34 | N10 | H59 | 117.6° | 121.5° |
| N10 | C34 | C35 | 114.0° | 108.4° |
| N10 | C34 | C36 | 110.4° | 109.6° |
| N10 | C34 | H60 | 108.4° | 109.5° |
| C34 | N10 | C29 | 124.7° | 116.6° |
| H59 | N10 | C29 | 117.6° | 121.9° |
| C35 | C34 | C36 | 108.0° | 109.7° |
| C35 | C34 | H60 | 108.0° | 109.3° |
| C34 | C35 | O12 | 120.6° | 120.3° |
| C34 | C35 | N1 | 115.1° | 118.3° |
| C36 | C34 | H60 | 107.9° | 110.2° |
| C34 | C36 | C37 | 112.5° | 109.5° |
| C34 | C36 | H61 | 108.7° | 109.4° |
| C34 | C36 | H62 | 108.7° | 109.5° |
| O12 | C35 | N1 | 124.3° | 121.5° |
| C37 | C36 | H61 | 108.7° | 109.5° |
| C37 | C36 | H62 | 108.7° | 109.5° |
| C36 | C37 | O13 | 117.8° | 120.0° |
| C36 | C37 | O14 | 118.4° | 120.0° |
| H61 | C36 | H62 | 109.5° | 109.5° |
| O13 | C37 | O14 | 123.8° | 120.0° |
| C37 | O14 | H63 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C35 | 180.0° | 179.6° |
| N1 | C1 | C2 | C3 | 123.8° | 118.9° |
| N1 | C1 | C2 | H2 | 119.2° | 120.8° |
| N1 | C1 | C3 | H2 | 117.6° | 121.7° |
| N1 | C1 | C2 | O1 | 164.1° | 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 | C35 | C34 | 177.9° | 175.2° |
| C1 | N1 | C35 | O12 | 3.4° | 4.4° |
| N1 | C1 | C2 | N2 | 16.3° | 168.1° |
| H1 | N1 | C1 | C2 | 86.5° | 19.3° |
| H1 | N1 | C1 | C3 | 38.0° | 99.4° |
| H1 | N1 | C1 | H2 | 154.9° | 139.3° |
| H1 | N1 | C35 | C34 | 2.1° | 5.1° |
| H1 | N1 | C35 | O12 | 176.6° | 175.3° |
| C2 | C1 | C3 | H2 | 117.2° | 120.1° |
| C1 | C2 | O1 | N2 | 179.6° | 180.0° |
| C2 | C1 | C3 | H3 | 54.8° | 58.1° |
| C2 | C1 | C3 | H4 | 174.8° | 61.9° |
| C2 | C1 | C3 | H5 | 65.3° | 178.1° |
| C1 | C2 | N2 | C4 | 171.5° | 175.0° |
| C1 | C2 | N2 | H6 | 8.5° | 5.7° |
| C2 | C1 | N1 | C35 | 93.5° | 160.4° |
| C3 | C1 | C2 | O1 | 40.4° | 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 | C35 | 142.0° | 80.9° |
| C3 | C1 | C2 | N2 | 140.1° | 49.2° |
| H2 | C1 | C2 | O1 | 76.7° | 108.8° |
| H2 | C1 | C3 | H3 | 62.4° | 178.2° |
| H2 | C1 | C3 | H4 | 57.6° | 58.2° |
| H2 | C1 | C3 | H5 | 177.6° | 61.7° |
| H2 | C1 | N1 | C35 | 25.1° | 40.3° |
| H2 | C1 | C2 | N2 | 102.9° | 71.1° |
| O1 | C2 | N2 | C4 | 9.0° | 5.0° |
| O1 | C2 | N2 | H6 | 171.0° | 174.2° |
| H3 | C3 | H4 | H5 | 120.0° | 120.0° |
| C4 | N2 | H6 | C2 | 180.0° | 179.2° |
| N2 | C4 | C5 | C6 | 130.8° | 119.1° |
| N2 | C4 | C5 | H7 | 116.7° | 119.8° |
| N2 | C4 | C6 | H7 | 114.7° | 120.5° |
| N2 | C4 | C5 | O2 | 138.9° | 92.0° |
| N2 | C4 | C6 | O3 | 33.0° | 65.0° |
| N2 | C4 | C6 | C7 | 155.5° | 55.0° |
| N2 | C4 | C6 | H8 | 86.3° | 175.0° |
| N2 | C4 | C5 | N3 | 41.4° | 87.4° |
| H6 | N2 | C4 | C5 | 124.8° | 71.6° |
| H6 | N2 | C4 | C6 | 106.0° | 47.7° |
| H6 | N2 | C4 | H7 | 8.3° | 168.5° |
| C5 | C4 | C6 | H7 | 112.9° | 120.8° |
| C4 | C5 | O2 | N3 | 179.6° | 179.4° |
| C5 | C4 | C6 | O3 | 165.4° | 53.6° |
| C5 | C4 | C6 | C7 | 72.1° | 173.6° |
| C5 | C4 | C6 | H8 | 46.1° | 66.4° |
| C4 | C5 | N3 | C8 | 179.1° | 175.1° |
| C4 | C5 | N3 | H13 | 0.9° | 5.5° |
| C5 | C4 | N2 | C2 | 55.2° | 109.1° |
| C6 | C4 | C5 | O2 | 8.1° | 27.1° |
| C4 | C6 | O3 | C7 | 123.0° | 120.0° |
| C4 | C6 | O3 | H8 | 118.1° | 120.0° |
| C4 | C6 | C7 | H8 | 118.1° | 120.0° |
| C4 | C6 | O3 | H9 | 180.0° | 60.0° |
| C4 | C6 | C7 | H10 | 180.0° | 60.0° |
| C4 | C6 | C7 | H11 | 60.0° | 180.0° |
| C4 | C6 | C7 | H12 | 60.0° | 60.0° |
| C6 | C4 | N2 | C2 | 74.1° | 131.6° |
| C6 | C4 | C5 | N3 | 172.2° | 153.5° |
| H7 | C4 | C5 | O2 | 104.4° | 148.2° |
| H7 | C4 | C6 | O3 | 81.7° | 174.5° |
| H7 | C4 | C6 | C7 | 40.7° | 65.6° |
| H7 | C4 | C6 | H8 | 159.0° | 54.4° |
| H7 | C4 | N2 | C2 | 171.7° | 10.7° |
| H7 | C4 | C5 | N3 | 75.2° | 32.5° |
| O2 | C5 | N3 | C8 | 1.3° | 4.2° |
| O2 | C5 | N3 | H13 | 178.8° | 175.1° |
| O3 | C6 | C7 | H8 | 120.0° | 120.0° |
| O3 | C6 | C7 | H10 | 58.1° | 60.0° |
| O3 | C6 | C7 | H11 | 178.1° | 60.0° |
| O3 | C6 | C7 | H12 | 61.9° | 180.0° |
| C7 | C6 | O3 | H9 | 57.0° | 60.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H12 | 120.0° | 120.0° |
| C6 | C7 | H11 | H12 | 120.0° | 120.0° |
| H8 | C6 | O3 | H9 | 61.9° | 180.0° |
| H8 | C6 | C7 | H10 | 61.9° | NaN° |
| H8 | C6 | C7 | H11 | 58.1° | 60.0° |
| H8 | C6 | C7 | H12 | 178.1° | 60.0° |
| H10 | C7 | H11 | H12 | 120.0° | 120.0° |
| C8 | N3 | H13 | C5 | 180.0° | 179.3° |
| N3 | C8 | C9 | C10 | 118.7° | 118.9° |
| N3 | C8 | C9 | H14 | 120.5° | 120.5° |
| N3 | C8 | C10 | H14 | 121.7° | 121.4° |
| N3 | C8 | C9 | O4 | 29.0° | 13.3° |
| N3 | C8 | C10 | C11 | 56.2° | 65.0° |
| N3 | C8 | C10 | H15 | 64.6° | 55.1° |
| N3 | C8 | C10 | H16 | 176.9° | 175.0° |
| N3 | C8 | C9 | N5 | 151.6° | 166.9° |
| H13 | N3 | C8 | C9 | 50.7° | 16.5° |
| H13 | N3 | C8 | C10 | 68.2° | 102.3° |
| H13 | N3 | C8 | H14 | 170.7° | 136.7° |
| C9 | C8 | C10 | H14 | 121.0° | 120.6° |
| C8 | C9 | O4 | N5 | 179.4° | 179.8° |
| C9 | C8 | C10 | C11 | 173.5° | 177.0° |
| C9 | C8 | C10 | H15 | 52.7° | 63.0° |
| C9 | C8 | C10 | H16 | 65.8° | 57.0° |
| C8 | C9 | N5 | C14 | 180.0° | 174.1° |
| C8 | C9 | N5 | H26 | 0.1° | 6.7° |
| C9 | C8 | N3 | C5 | 129.3° | 162.8° |
| C10 | C8 | C9 | O4 | 89.7° | 132.2° |
| C8 | C10 | C11 | H15 | 120.8° | 120.0° |
| C8 | C10 | C11 | H16 | 120.8° | 120.0° |
| C8 | C10 | H15 | H16 | 117.6° | 120.0° |
| C8 | C10 | C11 | C12 | 70.7° | 180.0° |
| C8 | C10 | C11 | H17 | 49.4° | 60.0° |
| C8 | C10 | C11 | H18 | 169.2° | 60.0° |
| C10 | C8 | N3 | C5 | 111.8° | 78.4° |
| C10 | C8 | C9 | N5 | 89.7° | 48.0° |
| H14 | C8 | C9 | O4 | 149.5° | 107.2° |
| H14 | C8 | C10 | C11 | 65.6° | 56.4° |
| H14 | C8 | C10 | H15 | 173.7° | 176.4° |
| H14 | C8 | C10 | H16 | 55.2° | 63.6° |
| H14 | C8 | N3 | C5 | 9.3° | 42.7° |
| H14 | C8 | C9 | N5 | 31.1° | 72.6° |
| O4 | C9 | N5 | C14 | 0.6° | 6.1° |
| O4 | C9 | N5 | H26 | 179.5° | 173.1° |
| C11 | C10 | H15 | H16 | 117.6° | 119.9° |
| C10 | C11 | C12 | H17 | 120.0° | 120.0° |
| C10 | C11 | C12 | H18 | 120.1° | 120.0° |
| C10 | C11 | H17 | H18 | 119.8° | 120.0° |
| C10 | C11 | C12 | C13 | 174.6° | 180.0° |
| C10 | C11 | C12 | H19 | 65.5° | 60.0° |
| C10 | C11 | C12 | H20 | 54.6° | 60.0° |
| H15 | C10 | C11 | C12 | 168.5° | 60.0° |
| H15 | C10 | C11 | H17 | 71.4° | 180.0° |
| H15 | C10 | C11 | H18 | 48.4° | 60.0° |
| H16 | C10 | C11 | C12 | 50.1° | 60.0° |
| H16 | C10 | C11 | H17 | 170.1° | 60.1° |
| H16 | C10 | C11 | H18 | 70.0° | 180.0° |
| C12 | C11 | H17 | H18 | 119.8° | 120.0° |
| C11 | C12 | C13 | H19 | 119.9° | 120.0° |
| C11 | C12 | C13 | H20 | 119.9° | 120.0° |
| C11 | C12 | H19 | H20 | 120.2° | 120.1° |
| C11 | C12 | C13 | N4 | 175.1° | 180.0° |
| C11 | C12 | C13 | H21 | 55.6° | 60.0° |
| C11 | C12 | C13 | H22 | 65.5° | 60.0° |
| H17 | C11 | C12 | C13 | 54.5° | 60.0° |
| H17 | C11 | C12 | H19 | 174.4° | 179.9° |
| H17 | C11 | C12 | H20 | 65.4° | 60.0° |
| H18 | C11 | C12 | C13 | 65.4° | 60.0° |
| H18 | C11 | C12 | H19 | 54.6° | 60.0° |
| H18 | C11 | C12 | H20 | 174.7° | 180.0° |
| C13 | C12 | H19 | H20 | 120.2° | 119.9° |
| C12 | C13 | N4 | H21 | 119.5° | 120.0° |
| C12 | C13 | N4 | H22 | 119.5° | 120.0° |
| C12 | C13 | H21 | H22 | 121.5° | 120.0° |
| C12 | C13 | N4 | H23 | 180.0° | 60.0° |
| C12 | C13 | N4 | H24 | 60.0° | 60.0° |
| C12 | C13 | N4 | H25 | 60.0° | 180.0° |
| H19 | C12 | C13 | N4 | 65.0° | 60.0° |
| H19 | C12 | C13 | H21 | 175.5° | 180.0° |
| H19 | C12 | C13 | H22 | 54.5° | 60.0° |
| H20 | C12 | C13 | N4 | 55.1° | 60.0° |
| H20 | C12 | C13 | H21 | 64.3° | 60.0° |
| H20 | C12 | C13 | H22 | 174.6° | 180.0° |
| N4 | C13 | H21 | H22 | 121.6° | 120.0° |
| C13 | N4 | H23 | H24 | 120.0° | 120.0° |
| C13 | N4 | H23 | H25 | 120.0° | 119.9° |
| C13 | N4 | H24 | H25 | 120.0° | 120.0° |
| H21 | C13 | N4 | H23 | 60.6° | 180.0° |
| H21 | C13 | N4 | H24 | 179.4° | 59.9° |
| H21 | C13 | N4 | H25 | 59.4° | 60.1° |
| H22 | C13 | N4 | H23 | 60.5° | 60.0° |
| H22 | C13 | N4 | H24 | 59.5° | 180.0° |
| H22 | C13 | N4 | H25 | 179.5° | 60.0° |
| H23 | N4 | H24 | H25 | 119.9° | 120.0° |
| C14 | N5 | H26 | C9 | 180.0° | 179.2° |
| N5 | C14 | C15 | C16 | 123.3° | 119.8° |
| N5 | C14 | C15 | H27 | 119.6° | 119.3° |
| N5 | C14 | C16 | H27 | 119.3° | 120.6° |
| N5 | C14 | C15 | O5 | 142.7° | 92.0° |
| N5 | C14 | C16 | C17 | 154.4° | 55.8° |
| N5 | C14 | C16 | C18 | 83.5° | 175.8° |
| N5 | C14 | C16 | H28 | 35.2° | 64.2° |
| N5 | C14 | C15 | N6 | 35.8° | 87.8° |
| H26 | N5 | C14 | C15 | 124.5° | 69.9° |
| H26 | N5 | C14 | C16 | 2.4° | 49.9° |
| H26 | N5 | C14 | H27 | 116.4° | 171.0° |
| C15 | C14 | C16 | H27 | 117.2° | 120.4° |
| C14 | C15 | O5 | N6 | 178.4° | 179.9° |
| C15 | C14 | C16 | C17 | 82.0° | 174.9° |
| C15 | C14 | C16 | C18 | 40.1° | 65.1° |
| C15 | C14 | C16 | H28 | 158.7° | 54.9° |
| C14 | C15 | N6 | C20 | 177.0° | 174.9° |
| C14 | C15 | N6 | H37 | 3.0° | 5.5° |
| C15 | C14 | N5 | C9 | 55.5° | 110.9° |
| C16 | C14 | C15 | O5 | 94.0° | 27.7° |
| C14 | C16 | C17 | C18 | 122.1° | 120.0° |
| C14 | C16 | C17 | H28 | 119.1° | 119.9° |
| C14 | C16 | C18 | H28 | 118.2° | 120.0° |
| C14 | C16 | C17 | C19 | 84.7° | 175.0° |
| C14 | C16 | C17 | H29 | 154.7° | 65.1° |
| C14 | C16 | C17 | H30 | 36.0° | 55.0° |
| C14 | C16 | C18 | H31 | 180.0° | 175.0° |
| C14 | C16 | C18 | H32 | 60.0° | 55.0° |
| C14 | C16 | C18 | H33 | 60.0° | 65.0° |
| C16 | C14 | N5 | C9 | 177.6° | 129.3° |
| C16 | C14 | C15 | N6 | 87.5° | 152.4° |
| H27 | C14 | C15 | O5 | 23.2° | 148.7° |
| H27 | C14 | C16 | C17 | 35.2° | 64.8° |
| H27 | C14 | C16 | C18 | 157.3° | 55.3° |
| H27 | C14 | C16 | H28 | 84.1° | 175.2° |
| H27 | C14 | N5 | C9 | 63.6° | 8.2° |
| H27 | C14 | C15 | N6 | 155.4° | 31.4° |
| O5 | C15 | N6 | C20 | 4.5° | 5.0° |
| O5 | C15 | N6 | H37 | 175.5° | 174.7° |
| C17 | C16 | C18 | H28 | 118.6° | 120.0° |
| C16 | C17 | C19 | H29 | 120.6° | 119.9° |
| C16 | C17 | C19 | H30 | 120.7° | 120.0° |
| C16 | C17 | H29 | H30 | 118.1° | 120.1° |
| C17 | C16 | C18 | H31 | 56.8° | 65.0° |
| C17 | C16 | C18 | H32 | 176.8° | 175.0° |
| C17 | C16 | C18 | H33 | 63.2° | 55.0° |
| C16 | C17 | C19 | H34 | 180.0° | 180.0° |
| C16 | C17 | C19 | H35 | 60.0° | 60.0° |
| C16 | C17 | C19 | H36 | 60.0° | 60.0° |
| C18 | C16 | C17 | C19 | 153.3° | 65.0° |
| C18 | C16 | C17 | H29 | 32.7° | 54.9° |
| C18 | C16 | C17 | H30 | 86.1° | 175.0° |
| C16 | C18 | H31 | H32 | 120.0° | 120.1° |
| C16 | C18 | H31 | H33 | 120.0° | 119.9° |
| C16 | C18 | H32 | H33 | 120.0° | 120.0° |
| H28 | C16 | C17 | C19 | 34.4° | 55.1° |
| H28 | C16 | C17 | H29 | 86.2° | 175.0° |
| H28 | C16 | C17 | H30 | 155.1° | 64.9° |
| H28 | C16 | C18 | H31 | 61.8° | 55.1° |
| H28 | C16 | C18 | H32 | 58.2° | 64.9° |
| H28 | C16 | C18 | H33 | 178.2° | 175.0° |
| C19 | C17 | H29 | H30 | 118.0° | 120.0° |
| C17 | C19 | H34 | H35 | 120.0° | 120.0° |
| C17 | C19 | H34 | H36 | 120.0° | 120.0° |
| C17 | C19 | H35 | H36 | 120.0° | 120.0° |
| H29 | C17 | C19 | H34 | 59.3° | 60.0° |
| H29 | C17 | C19 | H35 | 179.4° | 180.0° |
| H29 | C17 | C19 | H36 | 60.6° | 60.0° |
| H30 | C17 | C19 | H34 | 59.3° | 60.0° |
| H30 | C17 | C19 | H35 | 60.7° | 60.0° |
| H30 | C17 | C19 | H36 | 179.3° | 180.0° |
| H31 | C18 | H32 | H33 | 120.0° | 120.0° |
| H34 | C19 | H35 | H36 | 120.0° | 119.9° |
| C20 | N6 | H37 | C15 | 180.0° | 179.7° |
| N6 | C20 | C21 | C22 | 124.3° | 118.9° |
| N6 | C20 | C21 | H38 | 118.2° | 120.6° |
| N6 | C20 | C22 | H38 | 118.8° | 121.5° |
| N6 | C20 | C21 | O6 | 174.4° | 12.5° |
| N6 | C20 | C22 | C23 | 58.1° | 57.8° |
| N6 | C20 | C22 | H39 | 178.6° | 177.7° |
| N6 | C20 | C22 | H40 | 62.3° | 62.1° |
| N6 | C20 | C21 | N7 | 2.4° | 167.7° |
| H37 | N6 | C20 | C21 | 82.1° | 17.5° |
| H37 | N6 | C20 | C22 | 41.9° | 101.3° |
| H37 | N6 | C20 | H38 | 160.1° | 137.6° |
| C21 | C20 | C22 | H38 | 117.6° | 120.4° |
| C20 | C21 | O6 | N7 | 176.6° | 179.8° |
| C21 | C20 | C22 | C23 | 65.5° | 60.3° |
| C21 | C20 | C22 | H39 | 55.0° | 59.6° |
| C21 | C20 | C22 | H40 | 174.1° | 179.7° |
| C20 | C21 | N7 | C24 | 171.1° | 174.4° |
| C20 | C21 | N7 | H42 | 8.9° | 6.5° |
| C21 | C20 | N6 | C15 | 97.9° | 162.2° |
| C22 | C20 | C21 | O6 | 50.1° | 131.5° |
| C20 | C22 | C23 | H39 | 120.5° | 120.0° |
| C20 | C22 | C23 | H40 | 120.5° | 120.0° |
| C20 | C22 | H39 | H40 | 118.6° | 120.1° |
| C20 | C22 | C23 | O7 | 168.7° | 5.0° |
| C20 | C22 | C23 | O8 | 10.1° | 175.0° |
| C22 | C20 | N6 | C15 | 138.1° | 79.1° |
| C22 | C20 | C21 | N7 | 126.6° | 48.8° |
| H38 | C20 | C21 | O6 | 67.4° | 108.1° |
| H38 | C20 | C22 | C23 | 176.9° | 179.3° |
| H38 | C20 | C22 | H39 | 62.6° | 60.8° |
| H38 | C20 | C22 | H40 | 56.5° | 59.3° |
| H38 | C20 | N6 | C15 | 19.9° | 42.1° |
| H38 | C20 | C21 | N7 | 115.9° | 71.7° |
| O6 | C21 | N7 | C24 | 12.2° | 5.8° |
| O6 | C21 | N7 | H42 | 167.8° | 173.3° |
| C23 | C22 | H39 | H40 | 118.5° | 120.0° |
| C22 | C23 | O7 | O8 | 178.8° | 179.9° |
| C22 | C23 | O8 | H41 | 178.8° | 180.0° |
| H39 | C22 | C23 | O7 | 48.3° | 125.0° |
| H39 | C22 | C23 | O8 | 130.5° | 55.1° |
| H40 | C22 | C23 | O7 | 70.8° | 115.0° |
| H40 | C22 | C23 | O8 | 110.4° | 65.0° |
| O7 | C23 | O8 | H41 | 0.0° | 0.0° |
| C24 | N7 | H42 | C21 | 180.0° | 179.1° |
| N7 | C24 | C25 | C26 | 125.0° | 119.4° |
| N7 | C24 | C25 | H43 | 115.8° | 119.6° |
| N7 | C24 | C26 | H43 | 118.8° | 120.5° |
| N7 | C24 | C25 | O9 | 86.1° | 90.8° |
| N7 | C24 | C26 | C27 | 172.7° | 65.0° |
| N7 | C24 | C26 | H44 | 52.1° | 55.0° |
| N7 | C24 | C26 | H45 | 66.8° | 175.0° |
| N7 | C24 | C25 | N9 | 89.8° | 88.8° |
| H42 | N7 | C24 | C25 | 23.7° | 71.0° |
| H42 | N7 | C24 | C26 | 102.5° | 48.5° |
| H42 | N7 | C24 | H43 | 139.1° | 169.4° |
| C25 | C24 | C26 | H43 | 119.3° | 120.6° |
| C24 | C25 | O9 | N9 | 175.4° | 179.6° |
| C25 | C24 | C26 | C27 | 65.5° | 176.1° |
| C25 | C24 | C26 | H44 | 174.0° | 63.8° |
| C25 | C24 | C26 | H45 | 55.1° | 56.1° |
| C24 | C25 | N9 | C28 | 172.0° | 174.9° |
| C24 | C25 | N9 | H48 | 7.9° | 5.5° |
| C25 | C24 | N7 | C21 | 156.3° | 109.9° |
| C26 | C24 | C25 | O9 | 38.9° | 28.6° |
| C24 | C26 | C27 | H44 | 120.6° | 120.0° |
| C24 | C26 | C27 | H45 | 120.5° | 119.9° |
| C24 | C26 | H44 | H45 | 118.4° | 119.9° |
| C24 | C26 | C27 | O10 | 11.5° | 0.1° |
| C24 | C26 | C27 | N8 | 169.5° | 180.0° |
| C26 | C24 | N7 | C21 | 77.5° | 130.6° |
| C26 | C24 | C25 | N9 | 145.2° | 151.8° |
| H43 | C24 | C25 | O9 | 158.2° | 149.6° |
| H43 | C24 | C26 | C27 | 53.9° | 55.5° |
| H43 | C24 | C26 | H44 | 66.7° | 175.6° |
| H43 | C24 | C26 | H45 | 174.4° | 64.5° |
| H43 | C24 | N7 | C21 | 40.9° | 9.7° |
| H43 | C24 | C25 | N9 | 26.0° | 30.8° |
| O9 | C25 | N9 | C28 | 3.7° | 4.7° |
| O9 | C25 | N9 | H48 | 176.3° | 174.9° |
| C27 | C26 | H44 | H45 | 118.3° | 120.0° |
| C26 | C27 | O10 | N8 | 179.0° | 179.9° |
| C26 | C27 | N8 | H46 | 179.0° | 0.1° |
| C26 | C27 | N8 | H47 | 1.0° | 179.9° |
| H44 | C26 | C27 | O10 | 132.0° | 119.9° |
| H44 | C26 | C27 | N8 | 48.9° | 60.0° |
| H45 | C26 | C27 | O10 | 109.1° | 120.0° |
| H45 | C26 | C27 | N8 | 70.0° | 60.1° |
| O10 | C27 | N8 | H46 | 0.0° | 180.0° |
| O10 | C27 | N8 | H47 | 180.0° | 0.0° |
| C27 | N8 | H46 | H47 | 180.0° | 180.0° |
| C28 | N9 | H48 | C25 | 180.0° | 179.6° |
| N9 | C28 | C29 | C30 | 126.6° | 118.7° |
| N9 | C28 | C29 | H49 | 116.3° | 120.6° |
| N9 | C28 | C30 | H49 | 117.1° | 121.3° |
| N9 | C28 | C29 | O11 | 144.1° | 13.6° |
| N9 | C28 | C30 | C31 | 74.7° | 154.2° |
| N9 | C28 | C30 | H50 | 46.0° | 34.2° |
| N9 | C28 | C30 | H51 | 164.6° | 85.8° |
| N9 | C28 | C29 | N10 | 33.1° | 166.6° |
| H48 | N9 | C28 | C29 | 117.3° | 16.2° |
| H48 | N9 | C28 | C30 | 10.3° | 102.5° |
| H48 | N9 | C28 | H49 | 127.1° | 136.6° |
| C29 | C28 | C30 | H49 | 116.9° | 120.7° |
| C28 | C29 | O11 | N10 | 176.9° | 179.8° |
| C29 | C28 | C30 | C31 | 159.3° | 87.8° |
| C29 | C28 | C30 | H50 | 80.0° | 152.3° |
| C29 | C28 | C30 | H51 | 38.6° | 32.2° |
| C28 | C29 | N10 | C34 | 175.3° | 173.9° |
| C28 | C29 | N10 | H59 | 4.7° | 6.6° |
| C29 | C28 | N9 | C25 | 62.7° | 163.4° |
| C30 | C28 | C29 | O11 | 89.3° | 132.4° |
| C28 | C30 | C31 | H50 | 120.7° | 120.0° |
| C28 | C30 | C31 | H51 | 120.7° | 120.0° |
| C28 | C30 | H50 | H51 | 117.8° | 120.0° |
| C28 | C30 | C31 | C32 | 179.5° | 66.8° |
| C28 | C30 | C31 | C33 | 56.5° | 173.2° |
| C28 | C30 | C31 | H52 | 63.2° | 53.2° |
| C30 | C28 | N9 | C25 | 169.7° | 77.9° |
| C30 | C28 | C29 | N10 | 93.6° | 47.9° |
| H49 | C28 | C29 | O11 | 27.8° | 107.0° |
| H49 | C28 | C30 | C31 | 42.4° | 32.9° |
| H49 | C28 | C30 | H50 | 163.1° | 87.1° |
| H49 | C28 | C30 | H51 | 78.3° | 152.9° |
| H49 | C28 | N9 | C25 | 52.9° | 43.0° |
| H49 | C28 | C29 | N10 | 149.3° | 72.8° |
| O11 | C29 | N10 | C34 | 1.7° | 6.3° |
| O11 | C29 | N10 | H59 | 178.3° | 173.2° |
| C31 | C30 | H50 | H51 | 117.8° | 120.0° |
| C30 | C31 | C32 | C33 | 124.2° | 120.0° |
| C30 | C31 | C32 | H52 | 117.0° | 120.0° |
| C30 | C31 | C33 | H52 | 119.9° | 120.0° |
| C30 | C31 | C32 | H53 | 180.0° | 57.0° |
| C30 | C31 | C32 | H54 | 60.0° | 63.0° |
| C30 | C31 | C32 | H55 | 60.0° | 177.0° |
| C30 | C31 | C33 | H56 | 180.0° | 60.0° |
| C30 | C31 | C33 | H57 | 60.0° | 180.0° |
| C30 | C31 | C33 | H58 | 60.0° | 60.0° |
| H50 | C30 | C31 | C32 | 59.8° | 53.2° |
| H50 | C30 | C31 | C33 | 177.2° | 66.8° |
| H50 | C30 | C31 | H52 | 57.5° | 173.2° |
| H51 | C30 | C31 | C32 | 58.8° | 173.2° |
| H51 | C30 | C31 | C33 | 64.2° | 53.2° |
| H51 | C30 | C31 | H52 | 176.1° | 66.8° |
| C32 | C31 | C33 | H52 | 119.4° | 120.0° |
| C31 | C32 | H53 | H54 | 120.0° | 120.0° |
| C31 | C32 | H53 | H55 | 120.0° | 120.0° |
| C31 | C32 | H54 | H55 | 120.0° | 120.0° |
| C32 | C31 | C33 | H56 | 59.3° | 180.0° |
| C32 | C31 | C33 | H57 | 60.7° | 60.0° |
| C32 | C31 | C33 | H58 | 179.3° | 60.0° |
| C33 | C31 | C32 | H53 | 55.8° | 177.0° |
| C33 | C31 | C32 | H54 | 175.8° | 57.0° |
| C33 | C31 | C32 | H55 | 64.2° | 63.0° |
| C31 | C33 | H56 | H57 | 120.0° | 120.0° |
| C31 | C33 | H56 | H58 | 120.0° | 119.9° |
| C31 | C33 | H57 | H58 | 120.0° | 120.0° |
| H52 | C31 | C32 | H53 | 63.0° | 63.0° |
| H52 | C31 | C32 | H54 | 57.0° | 177.0° |
| H52 | C31 | C32 | H55 | 177.0° | 57.0° |
| H52 | C31 | C33 | H56 | 60.1° | 60.0° |
| H52 | C31 | C33 | H57 | 179.9° | 60.0° |
| H52 | C31 | C33 | H58 | 59.9° | 180.0° |
| H53 | C32 | H54 | H55 | 120.0° | 120.0° |
| H56 | C33 | H57 | H58 | 120.0° | 120.1° |
| C34 | N10 | H59 | C29 | 180.0° | 179.5° |
| N10 | C34 | C35 | C36 | 123.1° | 119.6° |
| N10 | C34 | C35 | H60 | 120.5° | 119.3° |
| N10 | C34 | C36 | H60 | 118.4° | 120.7° |
| N10 | C34 | C35 | O12 | 145.5° | 93.6° |
| N10 | C34 | C36 | C37 | 83.6° | 65.0° |
| N10 | C34 | C36 | H61 | 36.9° | 55.0° |
| N10 | C34 | C36 | H62 | 156.0° | 175.0° |
| N10 | C34 | C35 | N1 | 35.8° | 86.0° |
| H59 | N10 | C34 | C35 | 121.1° | 68.6° |
| H59 | N10 | C34 | C36 | 0.6° | 51.2° |
| H59 | N10 | C34 | H60 | 118.6° | 172.3° |
| C35 | C34 | C36 | H60 | 116.4° | 120.4° |
| C34 | C35 | O12 | N1 | 178.6° | 179.6° |
| C35 | C34 | C36 | C37 | 151.2° | 176.1° |
| C35 | C34 | C36 | H61 | 88.3° | 63.9° |
| C35 | C34 | C36 | H62 | 30.8° | 56.1° |
| C35 | C34 | N10 | C29 | 58.9° | 111.9° |
| C36 | C34 | C35 | O12 | 91.4° | 26.1° |
| C34 | C36 | C37 | H61 | 120.5° | 120.0° |
| C34 | C36 | C37 | H62 | 120.4° | 120.0° |
| C34 | C36 | H61 | H62 | 118.6° | 120.0° |
| C34 | C36 | C37 | O13 | 22.8° | 0.0° |
| C34 | C36 | C37 | O14 | 156.3° | 180.0° |
| C36 | C34 | C35 | N1 | 87.3° | 154.3° |
| C36 | C34 | N10 | C29 | 179.4° | 128.4° |
| H60 | C34 | C35 | O12 | 25.0° | 147.1° |
| H60 | C34 | C36 | C37 | 34.8° | 55.7° |
| H60 | C34 | C36 | H61 | 155.2° | 175.7° |
| H60 | C34 | C36 | H62 | 85.7° | 64.3° |
| H60 | C34 | C35 | N1 | 156.3° | 33.3° |
| H60 | C34 | N10 | C29 | 61.4° | 7.3° |
| C37 | C36 | H61 | H62 | 118.6° | 120.0° |
| C36 | C37 | O13 | O14 | 179.0° | 180.0° |
| C36 | C37 | O14 | H63 | 179.0° | 180.0° |
| H61 | C36 | C37 | O13 | 143.3° | 120.0° |
| H61 | C36 | C37 | O14 | 35.8° | 60.1° |
| H62 | C36 | C37 | O13 | 97.6° | 120.0° |
| H62 | C36 | C37 | O14 | 83.3° | 60.0° |
| O13 | C37 | O14 | H63 | 0.0° | 0.0° |
