PRD_002275
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.42Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | N2 | sing | 1.46Å | 1.46Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.37Å | 1.33Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | N3 | sing | 1.33Å | 1.34Å | |
| C6 | N4 | doub | 1.33Å | 1.33Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N5 | C7 | sing | 1.48Å | 1.44Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.19Å | |
| N6 | C9 | sing | 1.48Å | 1.46Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.25Å | |
| C12 | O5 | sing | 1.34Å | 1.25Å | |
| O5 | H21 | sing | 0.97Å | 0.95Å | |
| N7 | C13 | sing | 1.48Å | 1.47Å | |
| N7 | H22 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | O6 | doub | 1.21Å | 1.24Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| N8 | C19 | sing | 1.48Å | 1.49Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | O7 | doub | 1.21Å | 1.24Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | O8 | doub | 1.21Å | 1.25Å | |
| C22 | N9 | sing | 1.35Å | 1.32Å | |
| N9 | H37 | sing | 0.97Å | 1.00Å | |
| N9 | H38 | sing | 0.97Å | 1.00Å | |
| N10 | C23 | sing | 1.48Å | 1.48Å | |
| N10 | H39 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.56Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | O9 | doub | 1.21Å | 1.18Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | O10 | doub | 1.21Å | 1.30Å | |
| C26 | N11 | sing | 1.35Å | 1.27Å | |
| N11 | H43 | sing | 0.97Å | 1.00Å | |
| N11 | H44 | sing | 0.97Å | 1.00Å | |
| N12 | C27 | sing | 1.48Å | 1.49Å | |
| N12 | H45 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | C29 | sing | 1.53Å | 1.54Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | O11 | doub | 1.21Å | 1.21Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | O12 | doub | 1.21Å | 1.20Å | |
| C30 | N13 | sing | 1.35Å | 1.31Å | |
| N13 | H49 | sing | 0.97Å | 1.00Å | |
| N13 | H50 | sing | 0.97Å | 1.00Å | |
| N14 | C31 | sing | 1.48Å | 1.46Å | |
| N14 | H51 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.54Å | |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | O13 | doub | 1.21Å | 1.25Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C33 | C35 | sing | 1.53Å | 1.57Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C34 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| N1 | C32 | sing | 1.37Å | 1.33Å | |
| C2 | N5 | sing | 1.36Å | 1.32Å | |
| C8 | N6 | sing | 1.37Å | 1.31Å | |
| C10 | N7 | sing | 1.36Å | 1.33Å | |
| C14 | N8 | sing | 1.37Å | 1.33Å | |
| C20 | N10 | sing | 1.36Å | 1.36Å | |
| C24 | N12 | sing | 1.37Å | 1.31Å | |
| C28 | N14 | sing | 1.36Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 120.0° | 122.3° |
| N1 | C1 | C2 | 110.1° | 108.6° |
| N1 | C1 | C3 | 110.7° | 109.6° |
| N1 | C1 | H2 | 109.1° | 109.6° |
| C1 | N1 | C32 | 120.0° | 115.4° |
| H1 | N1 | C32 | 120.0° | 122.3° |
| C2 | C1 | C3 | 111.3° | 109.6° |
| C2 | C1 | H2 | 107.9° | 109.6° |
| C1 | C2 | O1 | 122.6° | 120.4° |
| C1 | C2 | N5 | 114.2° | 119.1° |
| C3 | C1 | H2 | 107.6° | 109.8° |
| C1 | C3 | C4 | 112.3° | 109.5° |
| C1 | C3 | H3 | 108.7° | 109.4° |
| C1 | C3 | H4 | 108.8° | 109.4° |
| O1 | C2 | N5 | 123.1° | 120.5° |
| C4 | C3 | H3 | 108.8° | 109.5° |
| C4 | C3 | H4 | 108.7° | 109.5° |
| C3 | C4 | C5 | 108.5° | 109.4° |
| C3 | C4 | H5 | 109.7° | 109.4° |
| C3 | C4 | H6 | 109.7° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C5 | C4 | H5 | 109.7° | 109.5° |
| C5 | C4 | H6 | 109.7° | 109.5° |
| C4 | C5 | N2 | 113.8° | 109.4° |
| C4 | C5 | H7 | 108.4° | 109.5° |
| C4 | C5 | H8 | 108.4° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.6° |
| N2 | C5 | H7 | 108.4° | 109.5° |
| N2 | C5 | H8 | 108.4° | 109.5° |
| C5 | N2 | C6 | 125.5° | 120.0° |
| C5 | N2 | H9 | 117.3° | 120.0° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| C6 | N2 | H9 | 117.3° | 119.9° |
| N2 | C6 | N3 | 121.2° | 120.0° |
| N2 | C6 | N4 | 119.1° | 120.0° |
| N3 | C6 | N4 | 119.8° | 120.0° |
| C6 | N3 | H10 | 120.0° | 120.0° |
| C6 | N3 | H11 | 120.0° | 120.0° |
| C6 | N4 | H12 | 120.0° | 120.0° |
| C6 | N4 | H13 | 120.0° | 119.9° |
| H10 | N3 | H11 | 120.0° | 120.0° |
| H12 | N4 | H13 | 120.0° | 120.0° |
| C7 | N5 | H14 | 118.3° | 121.7° |
| N5 | C7 | C8 | 118.6° | 108.9° |
| N5 | C7 | H15 | 107.2° | 109.5° |
| N5 | C7 | H16 | 107.2° | 109.5° |
| C7 | N5 | C2 | 123.4° | 116.6° |
| H14 | N5 | C2 | 118.3° | 121.7° |
| C8 | C7 | H15 | 107.2° | 109.6° |
| C8 | C7 | H16 | 107.2° | 109.6° |
| C7 | C8 | O2 | 120.3° | 120.6° |
| C7 | C8 | N6 | 117.8° | 118.7° |
| H15 | C7 | H16 | 109.4° | 109.6° |
| O2 | C8 | N6 | 121.6° | 120.7° |
| C9 | N6 | H17 | 119.1° | 122.3° |
| N6 | C9 | C10 | 110.2° | 108.6° |
| N6 | C9 | C11 | 107.4° | 109.6° |
| N6 | C9 | H18 | 110.4° | 109.6° |
| C9 | N6 | C8 | 121.9° | 115.4° |
| H17 | N6 | C8 | 119.1° | 122.3° |
| C10 | C9 | C11 | 110.4° | 109.6° |
| C10 | C9 | H18 | 109.2° | 109.6° |
| C9 | C10 | O3 | 119.4° | 120.5° |
| C9 | C10 | N7 | 115.6° | 119.1° |
| C11 | C9 | H18 | 109.2° | 109.8° |
| C9 | C11 | C12 | 112.3° | 109.5° |
| C9 | C11 | H19 | 108.8° | 109.5° |
| C9 | C11 | H20 | 108.8° | 109.5° |
| O3 | C10 | N7 | 124.7° | 120.5° |
| C12 | C11 | H19 | 108.7° | 109.4° |
| C12 | C11 | H20 | 108.8° | 109.5° |
| C11 | C12 | O4 | 118.1° | 120.0° |
| C11 | C12 | O5 | 112.5° | 120.0° |
| H19 | C11 | H20 | 109.4° | 109.4° |
| O4 | C12 | O5 | 129.1° | 120.0° |
| C12 | O5 | H21 | 109.5° | 117.1° |
| C13 | N7 | H22 | 118.2° | 121.7° |
| N7 | C13 | C14 | 113.1° | 108.9° |
| N7 | C13 | C15 | 109.6° | 109.6° |
| N7 | C13 | H23 | 107.7° | 109.6° |
| C13 | N7 | C10 | 123.6° | 116.6° |
| H22 | N7 | C10 | 118.3° | 121.7° |
| C14 | C13 | C15 | 112.6° | 109.6° |
| C14 | C13 | H23 | 106.8° | 109.6° |
| C13 | C14 | O6 | 120.3° | 120.6° |
| C13 | C14 | N8 | 116.5° | 118.8° |
| C15 | C13 | H23 | 106.7° | 109.7° |
| C13 | C15 | C16 | 112.8° | 109.5° |
| C13 | C15 | C17 | 112.7° | 109.5° |
| C13 | C15 | H24 | 106.9° | 109.5° |
| O6 | C14 | N8 | 122.8° | 120.7° |
| C16 | C15 | C17 | 110.1° | 109.5° |
| C16 | C15 | H24 | 106.9° | 109.5° |
| C15 | C16 | C18 | 116.2° | 109.5° |
| C15 | C16 | H25 | 107.8° | 109.4° |
| C15 | C16 | H26 | 107.8° | 109.5° |
| C17 | C15 | H24 | 107.2° | 109.5° |
| C15 | C17 | H27 | 109.5° | 109.5° |
| C15 | C17 | H28 | 109.4° | 109.4° |
| C15 | C17 | H29 | 109.5° | 109.5° |
| C18 | C16 | H25 | 107.8° | 109.5° |
| C18 | C16 | H26 | 107.8° | 109.5° |
| C16 | C18 | H30 | 109.5° | 109.5° |
| C16 | C18 | H31 | 109.4° | 109.5° |
| C16 | C18 | H32 | 109.5° | 109.4° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H27 | C17 | H29 | 109.5° | 109.5° |
| H28 | C17 | H29 | 109.5° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H30 | C18 | H32 | 109.4° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| C19 | N8 | H33 | 118.1° | 122.3° |
| N8 | C19 | C20 | 116.5° | 108.6° |
| N8 | C19 | C21 | 109.1° | 109.6° |
| N8 | C19 | H34 | 106.7° | 109.6° |
| C19 | N8 | C14 | 123.7° | 115.4° |
| H33 | N8 | C14 | 118.2° | 122.3° |
| C20 | C19 | C21 | 111.2° | 109.6° |
| C20 | C19 | H34 | 106.4° | 109.6° |
| C19 | C20 | O7 | 124.0° | 120.4° |
| C19 | C20 | N10 | 115.7° | 119.1° |
| C21 | C19 | H34 | 106.3° | 109.8° |
| C19 | C21 | C22 | 112.5° | 109.4° |
| C19 | C21 | H35 | 108.7° | 109.4° |
| C19 | C21 | H36 | 108.7° | 109.5° |
| O7 | C20 | N10 | 120.3° | 120.5° |
| C22 | C21 | H35 | 108.7° | 109.4° |
| C22 | C21 | H36 | 108.7° | 109.5° |
| C21 | C22 | O8 | 119.6° | 120.0° |
| C21 | C22 | N9 | 117.4° | 120.0° |
| H35 | C21 | H36 | 109.5° | 109.5° |
| O8 | C22 | N9 | 122.9° | 120.0° |
| C22 | N9 | H37 | 120.0° | 120.0° |
| C22 | N9 | H38 | 120.0° | 120.0° |
| H37 | N9 | H38 | 120.0° | 120.0° |
| C23 | N10 | H39 | 119.3° | 121.7° |
| N10 | C23 | C24 | 112.5° | 108.9° |
| N10 | C23 | C25 | 113.5° | 109.6° |
| N10 | C23 | H40 | 106.3° | 109.6° |
| C23 | N10 | C20 | 121.5° | 116.6° |
| H39 | N10 | C20 | 119.2° | 121.7° |
| C24 | C23 | C25 | 112.7° | 109.6° |
| C24 | C23 | H40 | 105.6° | 109.5° |
| C23 | C24 | O9 | 120.2° | 120.6° |
| C23 | C24 | N12 | 116.0° | 118.8° |
| C25 | C23 | H40 | 105.5° | 109.7° |
| C23 | C25 | C26 | 113.0° | 109.4° |
| C23 | C25 | H41 | 108.6° | 109.5° |
| C23 | C25 | H42 | 108.6° | 109.5° |
| O9 | C24 | N12 | 123.6° | 120.6° |
| C26 | C25 | H41 | 108.6° | 109.4° |
| C26 | C25 | H42 | 108.6° | 109.5° |
| C25 | C26 | O10 | 121.2° | 120.0° |
| C25 | C26 | N11 | 118.2° | 120.0° |
| H41 | C25 | H42 | 109.4° | 109.5° |
| O10 | C26 | N11 | 120.2° | 120.0° |
| C26 | N11 | H43 | 120.0° | 120.0° |
| C26 | N11 | H44 | 120.0° | 120.0° |
| H43 | N11 | H44 | 120.0° | 120.0° |
| C27 | N12 | H45 | 121.3° | 122.3° |
| N12 | C27 | C28 | 112.1° | 108.7° |
| N12 | C27 | C29 | 109.6° | 109.6° |
| N12 | C27 | H46 | 107.3° | 109.6° |
| C27 | N12 | C24 | 117.4° | 115.5° |
| H45 | N12 | C24 | 121.3° | 122.2° |
| C28 | C27 | C29 | 113.8° | 109.6° |
| C28 | C27 | H46 | 106.9° | 109.6° |
| C27 | C28 | O11 | 117.6° | 120.4° |
| C27 | C28 | N14 | 115.5° | 119.1° |
| C29 | C27 | H46 | 106.8° | 109.7° |
| C27 | C29 | C30 | 111.3° | 109.5° |
| C27 | C29 | H47 | 109.0° | 109.5° |
| C27 | C29 | H48 | 109.0° | 109.5° |
| O11 | C28 | N14 | 126.9° | 120.5° |
| C30 | C29 | H47 | 109.0° | 109.5° |
| C30 | C29 | H48 | 109.0° | 109.5° |
| C29 | C30 | O12 | 117.7° | 120.0° |
| C29 | C30 | N13 | 117.7° | 120.0° |
| H47 | C29 | H48 | 109.5° | 109.5° |
| O12 | C30 | N13 | 123.6° | 120.0° |
| C30 | N13 | H49 | 120.0° | 120.0° |
| C30 | N13 | H50 | 120.0° | 120.0° |
| H49 | N13 | H50 | 120.0° | 120.0° |
| C31 | N14 | H51 | 118.2° | 121.7° |
| N14 | C31 | C32 | 106.6° | 109.0° |
| N14 | C31 | C33 | 107.8° | 109.5° |
| N14 | C31 | H52 | 110.7° | 109.6° |
| C31 | N14 | C28 | 123.5° | 116.6° |
| H51 | N14 | C28 | 118.3° | 121.7° |
| C32 | C31 | C33 | 112.4° | 109.3° |
| C32 | C31 | H52 | 109.6° | 109.7° |
| C31 | C32 | O13 | 123.0° | 120.6° |
| C31 | C32 | N1 | 115.2° | 118.7° |
| C33 | C31 | H52 | 109.8° | 109.7° |
| C31 | C33 | C34 | 110.2° | 109.5° |
| C31 | C33 | C35 | 112.3° | 109.5° |
| C31 | C33 | H53 | 106.6° | 109.4° |
| O13 | C32 | N1 | 121.6° | 120.6° |
| C34 | C33 | C35 | 114.5° | 109.5° |
| C34 | C33 | H53 | 106.7° | 109.5° |
| C33 | C34 | H54 | 109.5° | 109.5° |
| C33 | C34 | H55 | 109.5° | 109.5° |
| C33 | C34 | H56 | 109.5° | 109.4° |
| C35 | C33 | H53 | 106.0° | 109.5° |
| C33 | C35 | H57 | 109.5° | 109.5° |
| C33 | C35 | H58 | 109.5° | 109.5° |
| C33 | C35 | H59 | 109.4° | 109.5° |
| H54 | C34 | H55 | 109.5° | 109.5° |
| H54 | C34 | H56 | 109.5° | 109.4° |
| H55 | C34 | H56 | 109.4° | 109.5° |
| H57 | C35 | H58 | 109.5° | 109.4° |
| H57 | C35 | H59 | 109.5° | 109.5° |
| H58 | C35 | H59 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C32 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 123.1° | 119.8° |
| N1 | C1 | C2 | H2 | 119.0° | 119.7° |
| N1 | C1 | C3 | H2 | 119.2° | 120.4° |
| N1 | C1 | C2 | O1 | 45.7° | 32.8° |
| N1 | C1 | C3 | C4 | 163.0° | 61.3° |
| N1 | C1 | C3 | H3 | 76.6° | 178.7° |
| N1 | C1 | C3 | H4 | 42.6° | 58.8° |
| C1 | N1 | C32 | C31 | 178.6° | 179.8° |
| C1 | N1 | C32 | O13 | 6.1° | 0.1° |
| N1 | C1 | C2 | N5 | 131.8° | 147.3° |
| H1 | N1 | C1 | C2 | 131.5° | 49.4° |
| H1 | N1 | C1 | C3 | 8.0° | 169.1° |
| H1 | N1 | C1 | H2 | 110.2° | 70.4° |
| H1 | N1 | C32 | C31 | 1.3° | 0.5° |
| H1 | N1 | C32 | O13 | 173.9° | 179.8° |
| C2 | C1 | C3 | H2 | 118.0° | 120.4° |
| C1 | C2 | O1 | N5 | 177.3° | 179.9° |
| C2 | C1 | C3 | C4 | 40.2° | 57.9° |
| C2 | C1 | C3 | H3 | 160.6° | 62.1° |
| C2 | C1 | C3 | H4 | 80.2° | 177.9° |
| C1 | C2 | N5 | C7 | 178.6° | 179.9° |
| C1 | C2 | N5 | H14 | 1.4° | 0.1° |
| C2 | C1 | N1 | C32 | 48.5° | 130.9° |
| C3 | C1 | C2 | O1 | 77.5° | 152.5° |
| C1 | C3 | C4 | H3 | 120.4° | 120.0° |
| C1 | C3 | C4 | H4 | 120.4° | 120.0° |
| C1 | C3 | H3 | H4 | 118.7° | 119.9° |
| C1 | C3 | C4 | C5 | 169.8° | 174.0° |
| C1 | C3 | C4 | H5 | 70.3° | 54.0° |
| C1 | C3 | C4 | H6 | 50.0° | 66.1° |
| C3 | C1 | N1 | C32 | 172.0° | 11.2° |
| C3 | C1 | C2 | N5 | 105.1° | 27.6° |
| H2 | C1 | C2 | O1 | 164.7° | 86.9° |
| H2 | C1 | C3 | C4 | 77.8° | 178.3° |
| H2 | C1 | C3 | H3 | 42.6° | 58.3° |
| H2 | C1 | C3 | H4 | 161.8° | 61.7° |
| H2 | C1 | N1 | C32 | 69.8° | 109.4° |
| H2 | C1 | C2 | N5 | 12.8° | 93.0° |
| O1 | C2 | N5 | C7 | 3.9° | 0.0° |
| O1 | C2 | N5 | H14 | 176.1° | 180.0° |
| C4 | C3 | H3 | H4 | 118.7° | 120.1° |
| C3 | C4 | C5 | H5 | 119.8° | 119.9° |
| C3 | C4 | C5 | H6 | 119.8° | 119.9° |
| C3 | C4 | H5 | H6 | 120.5° | 120.0° |
| C3 | C4 | C5 | N2 | 75.2° | 180.0° |
| C3 | C4 | C5 | H7 | 164.1° | 60.0° |
| C3 | C4 | C5 | H8 | 45.4° | 60.0° |
| H3 | C3 | C4 | C5 | 49.5° | 66.1° |
| H3 | C3 | C4 | H5 | 169.3° | 174.0° |
| H3 | C3 | C4 | H6 | 70.4° | 53.9° |
| H4 | C3 | C4 | C5 | 69.7° | 54.0° |
| H4 | C3 | C4 | H5 | 50.1° | 66.0° |
| H4 | C3 | C4 | H6 | 170.4° | 174.0° |
| C5 | C4 | H5 | H6 | 120.5° | 120.1° |
| C4 | C5 | N2 | H7 | 120.7° | 120.0° |
| C4 | C5 | N2 | H8 | 120.6° | 120.0° |
| C4 | C5 | H7 | H8 | 118.0° | 120.0° |
| C4 | C5 | N2 | C6 | 84.4° | 180.0° |
| C4 | C5 | N2 | H9 | 95.7° | 0.0° |
| H5 | C4 | C5 | N2 | 44.6° | 60.1° |
| H5 | C4 | C5 | H7 | 76.0° | 179.9° |
| H5 | C4 | C5 | H8 | 165.2° | 59.9° |
| H6 | C4 | C5 | N2 | 164.9° | 60.0° |
| H6 | C4 | C5 | H7 | 44.3° | 59.9° |
| H6 | C4 | C5 | H8 | 74.4° | 179.9° |
| N2 | C5 | H7 | H8 | 118.0° | 120.1° |
| C5 | N2 | C6 | H9 | 180.0° | 180.0° |
| C5 | N2 | C6 | N3 | 3.2° | 0.0° |
| C5 | N2 | C6 | N4 | 177.5° | 180.0° |
| H7 | C5 | N2 | C6 | 36.3° | 60.0° |
| H7 | C5 | N2 | H9 | 143.7° | 120.0° |
| H8 | C5 | N2 | C6 | 155.0° | 60.0° |
| H8 | C5 | N2 | H9 | 25.0° | 120.0° |
| N2 | C6 | N3 | N4 | 179.3° | 180.0° |
| N2 | C6 | N3 | H10 | 179.3° | 0.0° |
| N2 | C6 | N3 | H11 | 0.8° | 180.0° |
| N2 | C6 | N4 | H12 | 179.3° | 180.0° |
| N2 | C6 | N4 | H13 | 0.7° | 0.0° |
| H9 | N2 | C6 | N3 | 176.8° | 180.0° |
| H9 | N2 | C6 | N4 | 2.5° | 0.0° |
| C6 | N3 | H10 | H11 | 179.9° | 180.0° |
| N3 | C6 | N4 | H12 | 0.0° | 0.0° |
| N3 | C6 | N4 | H13 | 180.0° | 180.0° |
| N4 | C6 | N3 | H10 | 0.0° | 180.0° |
| N4 | C6 | N3 | H11 | 180.0° | 0.0° |
| C6 | N4 | H12 | H13 | 180.0° | 179.9° |
| C7 | N5 | H14 | C2 | 180.0° | 179.9° |
| N5 | C7 | C8 | H15 | 121.3° | 119.8° |
| N5 | C7 | C8 | H16 | 121.3° | 119.8° |
| N5 | C7 | H15 | H16 | 115.9° | 120.2° |
| N5 | C7 | C8 | O2 | 177.1° | 30.8° |
| N5 | C7 | C8 | N6 | 8.5° | 149.1° |
| H14 | N5 | C7 | C8 | 91.6° | 48.7° |
| H14 | N5 | C7 | H15 | 29.7° | 168.6° |
| H14 | N5 | C7 | H16 | 147.1° | 71.2° |
| C8 | C7 | H15 | H16 | 115.9° | 120.3° |
| C7 | C8 | O2 | N6 | 174.2° | 179.9° |
| C7 | C8 | N6 | C9 | 171.7° | 180.0° |
| C7 | C8 | N6 | H17 | 8.3° | 0.0° |
| C8 | C7 | N5 | C2 | 88.4° | 131.2° |
| H15 | C7 | C8 | O2 | 55.8° | 150.6° |
| H15 | C7 | N5 | C2 | 150.2° | 11.3° |
| H15 | C7 | C8 | N6 | 129.8° | 29.3° |
| H16 | C7 | C8 | O2 | 61.5° | 89.1° |
| H16 | C7 | N5 | C2 | 32.9° | 108.9° |
| H16 | C7 | C8 | N6 | 112.8° | 91.0° |
| O2 | C8 | N6 | C9 | 2.6° | 0.1° |
| O2 | C8 | N6 | H17 | 177.4° | 179.9° |
| C9 | N6 | H17 | C8 | 180.0° | 180.0° |
| N6 | C9 | C10 | C11 | 118.4° | 119.7° |
| N6 | C9 | C10 | H18 | 121.4° | 119.7° |
| N6 | C9 | C11 | H18 | 119.7° | 120.5° |
| N6 | C9 | C10 | O3 | 43.8° | 33.4° |
| N6 | C9 | C11 | C12 | 171.6° | 176.8° |
| N6 | C9 | C11 | H19 | 68.0° | 56.8° |
| N6 | C9 | C11 | H20 | 51.2° | 63.2° |
| N6 | C9 | C10 | N7 | 142.3° | 146.6° |
| H17 | N6 | C9 | C10 | 84.9° | 50.9° |
| H17 | N6 | C9 | C11 | 35.4° | 170.6° |
| H17 | N6 | C9 | H18 | 154.4° | 68.8° |
| C10 | C9 | C11 | H18 | 120.1° | 120.4° |
| C9 | C10 | O3 | N7 | 173.3° | 180.0° |
| C10 | C9 | C11 | C12 | 51.4° | 64.1° |
| C10 | C9 | C11 | H19 | 171.9° | 176.0° |
| C10 | C9 | C11 | H20 | 69.0° | 56.0° |
| C9 | C10 | N7 | C13 | 177.0° | 180.0° |
| C9 | C10 | N7 | H22 | 3.0° | 0.1° |
| C10 | C9 | N6 | C8 | 95.2° | 129.1° |
| C11 | C9 | C10 | O3 | 74.6° | 153.2° |
| C9 | C11 | C12 | H19 | 120.4° | 120.0° |
| C9 | C11 | C12 | H20 | 120.5° | 120.1° |
| C9 | C11 | H19 | H20 | 118.7° | 120.1° |
| C9 | C11 | C12 | O4 | 82.4° | 11.7° |
| C9 | C11 | C12 | O5 | 102.5° | 168.2° |
| C11 | C9 | N6 | C8 | 144.6° | 9.4° |
| C11 | C9 | C10 | N7 | 99.2° | 26.9° |
| H18 | C9 | C10 | O3 | 165.3° | 86.3° |
| H18 | C9 | C11 | C12 | 68.7° | 56.3° |
| H18 | C9 | C11 | H19 | 51.7° | 63.6° |
| H18 | C9 | C11 | H20 | 170.9° | 176.4° |
| H18 | C9 | N6 | C8 | 25.6° | 111.2° |
| H18 | C9 | C10 | N7 | 20.9° | 93.6° |
| O3 | C10 | N7 | C13 | 9.5° | 0.0° |
| O3 | C10 | N7 | H22 | 170.5° | 179.9° |
| C12 | C11 | H19 | H20 | 118.7° | 120.0° |
| C11 | C12 | O4 | O5 | 174.1° | 179.9° |
| C11 | C12 | O5 | H21 | 174.4° | 179.9° |
| H19 | C11 | C12 | O4 | 38.0° | 108.3° |
| H19 | C11 | C12 | O5 | 137.1° | 71.8° |
| H20 | C11 | C12 | O4 | 157.1° | 131.8° |
| H20 | C11 | C12 | O5 | 18.0° | 48.1° |
| O4 | C12 | O5 | H21 | 0.0° | 0.0° |
| C13 | N7 | H22 | C10 | 180.0° | 180.0° |
| N7 | C13 | C14 | C15 | 125.0° | 119.8° |
| N7 | C13 | C14 | H23 | 118.3° | 119.8° |
| N7 | C13 | C15 | H23 | 116.3° | 120.3° |
| N7 | C13 | C14 | O6 | 160.3° | 30.8° |
| N7 | C13 | C15 | C16 | 166.6° | 60.0° |
| N7 | C13 | C15 | C17 | 68.0° | 180.0° |
| N7 | C13 | C15 | H24 | 49.5° | 60.0° |
| N7 | C13 | C14 | N8 | 27.7° | 149.2° |
| H22 | N7 | C13 | C14 | 117.6° | 47.9° |
| H22 | N7 | C13 | C15 | 9.0° | 71.9° |
| H22 | N7 | C13 | H23 | 124.7° | 167.7° |
| C14 | C13 | C15 | H23 | 116.9° | 120.3° |
| C13 | C14 | O6 | N8 | 171.5° | 180.0° |
| C14 | C13 | C15 | C16 | 66.5° | 179.4° |
| C14 | C13 | C15 | C17 | 58.9° | 60.6° |
| C14 | C13 | C15 | H24 | 176.3° | 59.4° |
| C13 | C14 | N8 | C19 | 173.1° | 179.9° |
| C13 | C14 | N8 | H33 | 6.9° | 0.1° |
| C14 | C13 | N7 | C10 | 62.4° | 132.1° |
| C15 | C13 | C14 | O6 | 74.8° | 89.0° |
| C13 | C15 | C16 | C17 | 126.8° | 120.0° |
| C13 | C15 | C16 | H24 | 117.1° | 120.0° |
| C13 | C15 | C17 | H24 | 117.3° | 120.0° |
| C13 | C15 | C16 | C18 | 135.7° | 175.0° |
| C13 | C15 | C16 | H25 | 103.3° | 65.0° |
| C13 | C15 | C16 | H26 | 14.8° | 55.0° |
| C13 | C15 | C17 | H27 | 180.0° | 180.0° |
| C13 | C15 | C17 | H28 | 60.0° | 60.0° |
| C13 | C15 | C17 | H29 | 60.0° | 60.0° |
| C15 | C13 | N7 | C10 | 171.0° | 108.1° |
| C15 | C13 | C14 | N8 | 97.2° | 91.0° |
| H23 | C13 | C14 | O6 | 42.0° | 150.6° |
| H23 | C13 | C15 | C16 | 50.3° | 60.3° |
| H23 | C13 | C15 | C17 | 175.7° | 59.7° |
| H23 | C13 | C15 | H24 | 66.8° | 179.7° |
| H23 | C13 | N7 | C10 | 55.3° | 12.3° |
| H23 | C13 | C14 | N8 | 146.0° | 29.4° |
| O6 | C14 | N8 | C19 | 1.4° | 0.1° |
| O6 | C14 | N8 | H33 | 178.6° | 179.9° |
| C16 | C15 | C17 | H24 | 115.9° | 120.0° |
| C15 | C16 | C18 | H25 | 121.0° | 119.9° |
| C15 | C16 | C18 | H26 | 121.0° | 120.0° |
| C15 | C16 | H25 | H26 | 117.0° | 120.0° |
| C16 | C15 | C17 | H27 | 53.2° | 60.0° |
| C16 | C15 | C17 | H28 | 173.2° | 180.0° |
| C16 | C15 | C17 | H29 | 66.8° | 60.0° |
| C15 | C16 | C18 | H30 | 180.0° | 60.0° |
| C15 | C16 | C18 | H31 | 60.0° | 60.0° |
| C15 | C16 | C18 | H32 | 60.0° | 180.0° |
| C17 | C15 | C16 | C18 | 97.5° | 65.0° |
| C17 | C15 | C16 | H25 | 23.5° | 55.0° |
| C17 | C15 | C16 | H26 | 141.6° | 175.0° |
| C15 | C17 | H27 | H28 | 120.0° | 120.0° |
| C15 | C17 | H27 | H29 | 120.0° | 120.0° |
| C15 | C17 | H28 | H29 | 120.0° | 120.0° |
| H24 | C15 | C16 | C18 | 18.6° | 55.0° |
| H24 | C15 | C16 | H25 | 139.6° | 175.0° |
| H24 | C15 | C16 | H26 | 102.4° | 65.0° |
| H24 | C15 | C17 | H27 | 62.7° | 60.0° |
| H24 | C15 | C17 | H28 | 57.3° | 60.0° |
| H24 | C15 | C17 | H29 | 177.3° | 180.0° |
| C18 | C16 | H25 | H26 | 116.9° | 120.0° |
| C16 | C18 | H30 | H31 | 120.0° | 120.0° |
| C16 | C18 | H30 | H32 | 120.0° | 120.0° |
| C16 | C18 | H31 | H32 | 120.0° | 119.9° |
| H25 | C16 | C18 | H30 | 59.0° | 179.9° |
| H25 | C16 | C18 | H31 | 179.0° | 59.9° |
| H25 | C16 | C18 | H32 | 61.0° | 60.0° |
| H26 | C16 | C18 | H30 | 59.1° | 60.0° |
| H26 | C16 | C18 | H31 | 61.0° | 180.0° |
| H26 | C16 | C18 | H32 | 179.0° | 60.0° |
| H27 | C17 | H28 | H29 | 120.0° | 120.0° |
| H30 | C18 | H31 | H32 | 120.0° | 120.1° |
| C19 | N8 | H33 | C14 | 180.0° | 180.0° |
| N8 | C19 | C20 | C21 | 125.8° | 119.7° |
| N8 | C19 | C20 | H34 | 118.8° | 119.7° |
| N8 | C19 | C21 | H34 | 114.8° | 120.4° |
| N8 | C19 | C20 | O7 | 155.9° | 33.5° |
| N8 | C19 | C21 | C22 | 78.9° | 176.9° |
| N8 | C19 | C21 | H35 | 41.6° | 57.0° |
| N8 | C19 | C21 | H36 | 160.6° | 63.0° |
| N8 | C19 | C20 | N10 | 26.0° | 146.6° |
| H33 | N8 | C19 | C20 | 70.9° | 50.8° |
| H33 | N8 | C19 | C21 | 55.9° | 170.5° |
| H33 | N8 | C19 | H34 | 170.4° | 69.0° |
| C20 | C19 | C21 | H34 | 115.5° | 120.5° |
| C19 | C20 | O7 | N10 | 178.1° | 180.0° |
| C20 | C19 | C21 | C22 | 151.3° | 64.0° |
| C20 | C19 | C21 | H35 | 88.2° | 176.1° |
| C20 | C19 | C21 | H36 | 30.8° | 56.1° |
| C19 | C20 | N10 | C23 | 170.8° | 179.9° |
| C19 | C20 | N10 | H39 | 9.2° | 0.1° |
| C20 | C19 | N8 | C14 | 109.1° | 129.2° |
| C21 | C19 | C20 | O7 | 30.1° | 153.1° |
| C19 | C21 | C22 | H35 | 120.4° | 119.9° |
| C19 | C21 | C22 | H36 | 120.5° | 120.1° |
| C19 | C21 | H35 | H36 | 118.6° | 120.1° |
| C19 | C21 | C22 | O8 | 42.7° | 14.3° |
| C19 | C21 | C22 | N9 | 136.0° | 165.7° |
| C21 | C19 | N8 | C14 | 124.1° | 9.6° |
| C21 | C19 | C20 | N10 | 151.8° | 26.9° |
| H34 | C19 | C20 | O7 | 85.3° | 86.3° |
| H34 | C19 | C21 | C22 | 35.9° | 56.5° |
| H34 | C19 | C21 | H35 | 156.3° | 63.4° |
| H34 | C19 | C21 | H36 | 84.6° | 176.5° |
| H34 | C19 | N8 | C14 | 9.6° | 111.0° |
| H34 | C19 | C20 | N10 | 92.8° | 93.7° |
| O7 | C20 | N10 | C23 | 7.5° | 0.1° |
| O7 | C20 | N10 | H39 | 172.6° | 179.9° |
| C22 | C21 | H35 | H36 | 118.7° | 120.0° |
| C21 | C22 | O8 | N9 | 178.6° | 180.0° |
| C21 | C22 | N9 | H37 | 178.7° | 0.0° |
| C21 | C22 | N9 | H38 | 1.3° | 180.0° |
| H35 | C21 | C22 | O8 | 163.1° | 105.7° |
| H35 | C21 | C22 | N9 | 15.6° | 74.3° |
| H36 | C21 | C22 | O8 | 77.8° | 134.3° |
| H36 | C21 | C22 | N9 | 103.5° | 45.7° |
| O8 | C22 | N9 | H37 | 0.0° | 180.0° |
| O8 | C22 | N9 | H38 | 180.0° | 0.0° |
| C22 | N9 | H37 | H38 | 180.0° | 180.0° |
| C23 | N10 | H39 | C20 | 180.0° | 180.0° |
| N10 | C23 | C24 | C25 | 129.8° | 119.8° |
| N10 | C23 | C24 | H40 | 115.5° | 119.8° |
| N10 | C23 | C25 | H40 | 116.0° | 120.4° |
| N10 | C23 | C24 | O9 | 148.3° | 29.9° |
| N10 | C23 | C25 | C26 | 171.1° | 65.0° |
| N10 | C23 | C25 | H41 | 50.6° | 54.9° |
| N10 | C23 | C25 | H42 | 68.3° | 175.0° |
| N10 | C23 | C24 | N12 | 27.7° | 150.1° |
| H39 | N10 | C23 | C24 | 113.3° | 48.0° |
| H39 | N10 | C23 | C25 | 117.3° | 71.8° |
| H39 | N10 | C23 | H40 | 1.8° | 167.8° |
| C24 | C23 | C25 | H40 | 114.7° | 120.3° |
| C23 | C24 | O9 | N12 | 175.7° | 180.0° |
| C24 | C23 | C25 | C26 | 59.6° | 175.6° |
| C24 | C23 | C25 | H41 | 179.9° | 64.4° |
| C24 | C23 | C25 | H42 | 61.0° | 55.6° |
| C23 | C24 | N12 | C27 | 173.3° | 179.9° |
| C23 | C24 | N12 | H45 | 6.7° | 0.0° |
| C24 | C23 | N10 | C20 | 66.8° | 132.0° |
| C25 | C23 | C24 | O9 | 18.4° | 89.9° |
| C23 | C25 | C26 | H41 | 120.5° | 120.0° |
| C23 | C25 | C26 | H42 | 120.5° | 120.0° |
| C23 | C25 | H41 | H42 | 118.3° | 120.0° |
| C23 | C25 | C26 | O10 | 49.7° | 0.1° |
| C23 | C25 | C26 | N11 | 136.3° | 180.0° |
| C25 | C23 | N10 | C20 | 62.6° | 108.2° |
| C25 | C23 | C24 | N12 | 157.5° | 90.1° |
| H40 | C23 | C24 | O9 | 96.2° | 149.7° |
| H40 | C23 | C25 | C26 | 55.1° | 55.3° |
| H40 | C23 | C25 | H41 | 65.4° | 175.3° |
| H40 | C23 | C25 | H42 | 175.7° | 64.7° |
| H40 | C23 | N10 | C20 | 178.1° | 12.2° |
| H40 | C23 | C24 | N12 | 87.9° | 30.2° |
| O9 | C24 | N12 | C27 | 2.6° | 0.1° |
| O9 | C24 | N12 | H45 | 177.4° | 180.0° |
| C26 | C25 | H41 | H42 | 118.4° | 120.0° |
| C25 | C26 | O10 | N11 | 173.9° | 179.9° |
| C25 | C26 | N11 | H43 | 174.1° | 0.0° |
| C25 | C26 | N11 | H44 | 5.9° | 180.0° |
| H41 | C25 | C26 | O10 | 70.9° | 120.0° |
| H41 | C25 | C26 | N11 | 103.1° | 60.0° |
| H42 | C25 | C26 | O10 | 170.2° | 119.9° |
| H42 | C25 | C26 | N11 | 15.8° | 60.0° |
| O10 | C26 | N11 | H43 | 0.0° | 179.9° |
| O10 | C26 | N11 | H44 | 180.0° | 0.1° |
| C26 | N11 | H43 | H44 | 180.0° | 180.0° |
| C27 | N12 | H45 | C24 | 180.0° | 179.9° |
| N12 | C27 | C28 | C29 | 125.1° | 119.7° |
| N12 | C27 | C28 | H46 | 117.3° | 119.8° |
| N12 | C27 | C29 | H46 | 115.9° | 120.4° |
| N12 | C27 | C28 | O11 | 157.5° | 32.8° |
| N12 | C27 | C29 | C30 | 72.8° | 176.5° |
| N12 | C27 | C29 | H47 | 47.5° | 56.5° |
| N12 | C27 | C29 | H48 | 167.0° | 63.5° |
| N12 | C27 | C28 | N14 | 24.2° | 147.3° |
| H45 | N12 | C27 | C28 | 84.7° | 51.7° |
| H45 | N12 | C27 | C29 | 42.6° | 171.5° |
| H45 | N12 | C27 | H46 | 158.2° | 68.1° |
| C28 | C27 | C29 | H46 | 117.7° | 120.4° |
| C27 | C28 | O11 | N14 | 178.0° | 180.0° |
| C28 | C27 | C29 | C30 | 160.8° | 64.3° |
| C28 | C27 | C29 | H47 | 78.9° | 175.7° |
| C28 | C27 | C29 | H48 | 40.6° | 55.7° |
| C27 | C28 | N14 | C31 | 177.3° | 180.0° |
| C27 | C28 | N14 | H51 | 2.7° | 0.0° |
| C28 | C27 | N12 | C24 | 95.3° | 128.3° |
| C29 | C27 | C28 | O11 | 77.4° | 152.5° |
| C27 | C29 | C30 | H47 | 120.3° | 120.0° |
| C27 | C29 | C30 | H48 | 120.3° | 120.0° |
| C27 | C29 | H47 | H48 | 119.2° | 120.0° |
| C27 | C29 | C30 | O12 | 47.2° | 14.4° |
| C27 | C29 | C30 | N13 | 121.8° | 165.5° |
| C29 | C27 | N12 | C24 | 137.4° | 8.6° |
| C29 | C27 | C28 | N14 | 100.8° | 27.6° |
| H46 | C27 | C28 | O11 | 40.2° | 87.1° |
| H46 | C27 | C29 | C30 | 43.1° | 56.1° |
| H46 | C27 | C29 | H47 | 163.4° | 63.9° |
| H46 | C27 | C29 | H48 | 77.1° | 176.1° |
| H46 | C27 | N12 | C24 | 21.8° | 111.9° |
| H46 | C27 | C28 | N14 | 141.6° | 92.9° |
| O11 | C28 | N14 | C31 | 4.7° | 0.0° |
| O11 | C28 | N14 | H51 | 175.3° | 180.0° |
| C30 | C29 | H47 | H48 | 119.2° | 120.0° |
| C29 | C30 | O12 | N13 | 168.3° | 180.0° |
| C29 | C30 | N13 | H49 | 168.3° | 0.1° |
| C29 | C30 | N13 | H50 | 11.7° | 180.0° |
| H47 | C29 | C30 | O12 | 167.5° | 105.6° |
| H47 | C29 | C30 | N13 | 1.6° | 74.5° |
| H48 | C29 | C30 | O12 | 73.0° | 134.5° |
| H48 | C29 | C30 | N13 | 117.9° | 45.5° |
| O12 | C30 | N13 | H49 | 0.0° | 179.9° |
| O12 | C30 | N13 | H50 | 180.0° | 0.0° |
| C30 | N13 | H49 | H50 | 180.0° | 179.9° |
| C31 | N14 | H51 | C28 | 180.0° | 180.0° |
| N14 | C31 | C32 | C33 | 117.9° | 119.7° |
| N14 | C31 | C32 | H52 | 119.8° | 120.0° |
| N14 | C31 | C33 | H52 | 120.6° | 120.3° |
| N14 | C31 | C32 | O13 | 10.5° | 31.9° |
| N14 | C31 | C33 | C34 | 67.3° | 60.0° |
| N14 | C31 | C33 | C35 | 163.8° | 60.0° |
| N14 | C31 | C33 | H53 | 48.0° | 180.0° |
| N14 | C31 | C32 | N1 | 164.7° | 147.8° |
| H51 | N14 | C31 | C32 | 7.0° | 48.2° |
| H51 | N14 | C31 | C33 | 113.9° | 71.4° |
| H51 | N14 | C31 | H52 | 126.0° | 168.2° |
| C32 | C31 | C33 | H52 | 122.3° | 120.4° |
| C31 | C32 | O13 | N1 | 174.8° | 179.7° |
| C32 | C31 | C33 | C34 | 49.9° | 179.4° |
| C32 | C31 | C33 | C35 | 79.1° | 59.3° |
| C32 | C31 | C33 | H53 | 165.2° | 60.6° |
| C32 | C31 | N14 | C28 | 173.0° | 131.8° |
| C33 | C31 | C32 | O13 | 107.4° | 87.7° |
| C31 | C33 | C34 | C35 | 127.8° | 120.0° |
| C31 | C33 | C34 | H53 | 115.3° | 119.9° |
| C31 | C33 | C35 | H53 | 116.0° | 119.9° |
| C31 | C33 | C34 | H54 | 180.0° | 60.0° |
| C31 | C33 | C34 | H55 | 60.0° | 179.9° |
| C31 | C33 | C34 | H56 | 60.0° | 59.9° |
| C31 | C33 | C35 | H57 | 180.0° | 60.0° |
| C31 | C33 | C35 | H58 | 60.0° | 179.9° |
| C31 | C33 | C35 | H59 | 60.0° | 60.0° |
| C33 | C31 | C32 | N1 | 77.5° | 92.5° |
| C33 | C31 | N14 | C28 | 66.1° | 108.6° |
| H52 | C31 | C32 | O13 | 130.2° | 151.9° |
| H52 | C31 | C33 | C34 | 172.1° | 60.3° |
| H52 | C31 | C33 | C35 | 43.2° | 179.7° |
| H52 | C31 | C33 | H53 | 72.6° | 59.7° |
| H52 | C31 | C32 | N1 | 44.9° | 27.8° |
| H52 | C31 | N14 | C28 | 54.0° | 11.8° |
| C34 | C33 | C35 | H53 | 117.3° | 120.0° |
| C33 | C34 | H54 | H55 | 120.0° | 120.1° |
| C33 | C34 | H54 | H56 | 120.0° | 119.9° |
| C33 | C34 | H55 | H56 | 120.0° | 120.0° |
| C34 | C33 | C35 | H57 | 53.3° | 180.0° |
| C34 | C33 | C35 | H58 | 66.7° | 60.0° |
| C34 | C33 | C35 | H59 | 173.3° | 60.0° |
| C35 | C33 | C34 | H54 | 52.2° | 60.0° |
| C35 | C33 | C34 | H55 | 172.2° | 60.0° |
| C35 | C33 | C34 | H56 | 67.8° | 180.0° |
| C33 | C35 | H57 | H58 | 120.0° | 120.0° |
| C33 | C35 | H57 | H59 | 120.0° | 120.0° |
| C33 | C35 | H58 | H59 | 120.0° | 120.1° |
| H53 | C33 | C34 | H54 | 64.8° | 179.9° |
| H53 | C33 | C34 | H55 | 55.3° | 60.0° |
| H53 | C33 | C34 | H56 | 175.2° | 60.0° |
| H53 | C33 | C35 | H57 | 64.0° | 59.9° |
| H53 | C33 | C35 | H58 | 176.0° | 60.0° |
| H53 | C33 | C35 | H59 | 56.0° | 179.9° |
| H54 | C34 | H55 | H56 | 120.0° | 119.9° |
| H57 | C35 | H58 | H59 | 120.0° | 120.0° |
