PRD_000395
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | C11 | sing | 1.53Å | 1.51Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| N2 | C12 | sing | 1.46Å | 1.45Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.56Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | O3 | doub | 1.21Å | 1.25Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.48Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | N3 | sing | 1.47Å | 1.46Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| N3 | C17 | sing | 1.37Å | 1.33Å | |
| N3 | H27 | sing | 0.97Å | 1.00Å | |
| C17 | N4 | sing | 1.33Å | 1.33Å | |
| C17 | N5 | doub | 1.33Å | 1.32Å | |
| N4 | H28 | sing | 0.97Å | 1.00Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å | |
| N6 | C18 | sing | 1.47Å | 1.46Å | |
| N6 | C19 | sing | 1.46Å | 1.48Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C19 | C21 | sing | 1.51Å | 1.51Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | O4 | doub | 1.21Å | 1.20Å | |
| N7 | C22 | sing | 1.47Å | 1.47Å | |
| N7 | H39 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | C25 | sing | 1.48Å | 1.55Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.50Å | 1.54Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | C31 | sing | 1.49Å | 1.57Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | O5 | doub | 1.21Å | 1.22Å | |
| C25 | N8 | sing | 1.34Å | 1.33Å | |
| N8 | C26 | sing | 1.48Å | 1.50Å | |
| N8 | C29 | sing | 1.40Å | 1.41Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C34 | sing | 1.51Å | 1.51Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.51Å | 1.45Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | doub | 1.39Å | 1.37Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C31 | sing | 1.40Å | 1.43Å | Aromatic |
| C30 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | H48 | sing | 1.08Å | 1.08Å | |
| C31 | C33 | doub | 1.39Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.45Å | Aromatic |
| C32 | H49 | sing | 1.08Å | 1.08Å | |
| C33 | H50 | sing | 1.08Å | 1.08Å | |
| C34 | O6 | doub | 1.21Å | 1.23Å | |
| N9 | C35 | sing | 1.46Å | 1.44Å | |
| N9 | H51 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C35 | C37 | sing | 1.53Å | 1.52Å | |
| C35 | H52 | sing | 1.09Å | 1.10Å | |
| C36 | O7 | sing | 1.43Å | 1.42Å | |
| C36 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| O7 | H55 | sing | 0.97Å | 0.95Å | |
| C37 | O8 | sing | 1.43Å | 1.42Å | |
| C37 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| O8 | H58 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.31Å | |
| C13 | N6 | sing | 1.35Å | 1.36Å | |
| C21 | N7 | sing | 1.35Å | 1.34Å | |
| C34 | N9 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.9° | 120.0° |
| O1 | C1 | N1 | 121.7° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C2 | C1 | N1 | 117.4° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 120.1° | 120.0° |
| N1 | C3 | C4 | 112.6° | 109.5° |
| N1 | C3 | C5 | 110.5° | 109.5° |
| N1 | C3 | H5 | 108.3° | 109.5° |
| C3 | N1 | C1 | 119.7° | 120.0° |
| H4 | N1 | C1 | 120.2° | 120.0° |
| C4 | C3 | C5 | 110.4° | 109.4° |
| C4 | C3 | H5 | 107.4° | 109.5° |
| C3 | C4 | O2 | 122.4° | 120.0° |
| C3 | C4 | N2 | 114.9° | 120.0° |
| C5 | C3 | H5 | 107.4° | 109.5° |
| C3 | C5 | C6 | 118.1° | 109.5° |
| C3 | C5 | H6 | 107.3° | 109.4° |
| C3 | C5 | H7 | 107.3° | 109.5° |
| O2 | C4 | N2 | 122.5° | 120.0° |
| C6 | C5 | H6 | 107.3° | 109.5° |
| C6 | C5 | H7 | 107.3° | 109.5° |
| C5 | C6 | C7 | 110.6° | 109.5° |
| C5 | C6 | C11 | 110.6° | 109.5° |
| C5 | C6 | H8 | 109.0° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C11 | 108.2° | 109.5° |
| C7 | C6 | H8 | 109.2° | 109.5° |
| C6 | C7 | C8 | 112.2° | 109.5° |
| C6 | C7 | H9 | 108.8° | 109.5° |
| C6 | C7 | H10 | 108.8° | 109.5° |
| C11 | C6 | H8 | 109.2° | 109.4° |
| C6 | C11 | C10 | 112.0° | 109.5° |
| C6 | C11 | H17 | 108.9° | 109.5° |
| C6 | C11 | H18 | 108.8° | 109.4° |
| C8 | C7 | H9 | 108.8° | 109.5° |
| C8 | C7 | H10 | 108.8° | 109.5° |
| C7 | C8 | C9 | 111.2° | 109.5° |
| C7 | C8 | H11 | 109.1° | 109.4° |
| C7 | C8 | H12 | 109.1° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| C9 | C8 | H11 | 109.0° | 109.4° |
| C9 | C8 | H12 | 109.1° | 109.5° |
| C8 | C9 | C10 | 110.2° | 109.4° |
| C8 | C9 | H13 | 109.3° | 109.5° |
| C8 | C9 | H14 | 109.3° | 109.4° |
| H11 | C8 | H12 | 109.4° | 109.5° |
| C10 | C9 | H13 | 109.3° | 109.4° |
| C10 | C9 | H14 | 109.3° | 109.4° |
| C9 | C10 | C11 | 111.0° | 109.5° |
| C9 | C10 | H15 | 109.1° | 109.5° |
| C9 | C10 | H16 | 109.1° | 109.5° |
| H13 | C9 | H14 | 109.4° | 109.5° |
| C11 | C10 | H15 | 109.1° | 109.4° |
| C11 | C10 | H16 | 109.1° | 109.4° |
| C10 | C11 | H17 | 108.8° | 109.5° |
| C10 | C11 | H18 | 108.9° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| C12 | N2 | H19 | 119.6° | 120.0° |
| N2 | C12 | C13 | 106.3° | 109.5° |
| N2 | C12 | C14 | 109.6° | 109.5° |
| N2 | C12 | H20 | 110.9° | 109.5° |
| C12 | N2 | C4 | 120.9° | 120.0° |
| H19 | N2 | C4 | 119.5° | 120.0° |
| C13 | C12 | C14 | 111.0° | 109.4° |
| C13 | C12 | H20 | 109.3° | 109.4° |
| C12 | C13 | O3 | 118.1° | 120.0° |
| C12 | C13 | N6 | 118.5° | 120.0° |
| C14 | C12 | H20 | 109.7° | 109.5° |
| C12 | C14 | C15 | 115.6° | 109.5° |
| C12 | C14 | H21 | 107.9° | 109.5° |
| C12 | C14 | H22 | 107.9° | 109.5° |
| O3 | C13 | N6 | 123.3° | 120.0° |
| C15 | C14 | H21 | 107.9° | 109.5° |
| C15 | C14 | H22 | 107.9° | 109.5° |
| C14 | C15 | C16 | 108.7° | 109.5° |
| C14 | C15 | H23 | 109.6° | 109.5° |
| C14 | C15 | H24 | 109.7° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.4° |
| C16 | C15 | H23 | 109.7° | 109.5° |
| C16 | C15 | H24 | 109.7° | 109.5° |
| C15 | C16 | N3 | 112.9° | 109.5° |
| C15 | C16 | H25 | 108.6° | 109.5° |
| C15 | C16 | H26 | 108.6° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.4° |
| N3 | C16 | H25 | 108.6° | 109.4° |
| N3 | C16 | H26 | 108.6° | 109.5° |
| C16 | N3 | C17 | 123.0° | 120.0° |
| C16 | N3 | H27 | 118.5° | 120.0° |
| H25 | C16 | H26 | 109.4° | 109.5° |
| C17 | N3 | H27 | 118.5° | 120.0° |
| N3 | C17 | N4 | 120.3° | 120.0° |
| N3 | C17 | N5 | 119.8° | 120.0° |
| N4 | C17 | N5 | 119.8° | 120.0° |
| C17 | N4 | H28 | 120.0° | 120.0° |
| C17 | N4 | H29 | 120.0° | 120.0° |
| C17 | N5 | H30 | 120.0° | 120.1° |
| C17 | N5 | H31 | 120.0° | 120.0° |
| H28 | N4 | H29 | 120.0° | 120.0° |
| H30 | N5 | H31 | 120.0° | 120.0° |
| C18 | N6 | C19 | 116.3° | 120.0° |
| N6 | C18 | H32 | 109.5° | 109.5° |
| N6 | C18 | H33 | 109.5° | 109.5° |
| N6 | C18 | H34 | 109.4° | 109.5° |
| C18 | N6 | C13 | 119.6° | 120.0° |
| N6 | C19 | C20 | 108.7° | 109.5° |
| N6 | C19 | C21 | 116.5° | 109.5° |
| N6 | C19 | H35 | 108.7° | 109.5° |
| C19 | N6 | C13 | 123.8° | 120.0° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H32 | C18 | H34 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 109.4° |
| C20 | C19 | C21 | 106.8° | 109.4° |
| C20 | C19 | H35 | 107.7° | 109.5° |
| C19 | C20 | H36 | 109.5° | 109.5° |
| C19 | C20 | H37 | 109.5° | 109.5° |
| C19 | C20 | H38 | 109.5° | 109.5° |
| C21 | C19 | H35 | 108.2° | 109.5° |
| C19 | C21 | O4 | 117.9° | 119.9° |
| C19 | C21 | N7 | 120.9° | 120.0° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| H36 | C20 | H38 | 109.4° | 109.5° |
| H37 | C20 | H38 | 109.5° | 109.5° |
| O4 | C21 | N7 | 121.1° | 120.1° |
| C22 | N7 | H39 | 122.0° | 120.0° |
| N7 | C22 | C23 | 114.8° | 108.8° |
| N7 | C22 | C25 | 111.7° | 108.7° |
| N7 | C22 | H40 | 106.0° | 108.7° |
| C22 | N7 | C21 | 116.1° | 120.0° |
| H39 | N7 | C21 | 122.0° | 120.1° |
| C23 | C22 | C25 | 112.8° | 113.4° |
| C23 | C22 | H40 | 105.4° | 108.7° |
| C22 | C23 | C24 | 114.0° | 113.3° |
| C22 | C23 | H41 | 108.3° | 108.8° |
| C22 | C23 | H42 | 108.3° | 108.7° |
| C25 | C22 | H40 | 105.2° | 108.6° |
| C22 | C25 | O5 | 121.1° | 116.4° |
| C22 | C25 | N8 | 117.8° | 127.2° |
| C24 | C23 | H41 | 108.3° | 108.7° |
| C24 | C23 | H42 | 108.3° | 108.7° |
| C23 | C24 | C31 | 115.7° | 115.1° |
| C23 | C24 | H43 | 107.9° | 108.3° |
| C23 | C24 | H44 | 107.9° | 108.4° |
| H41 | C23 | H42 | 109.5° | 108.6° |
| C31 | C24 | H43 | 107.9° | 108.3° |
| C31 | C24 | H44 | 107.9° | 108.4° |
| C24 | C31 | C29 | 125.1° | 123.5° |
| C24 | C31 | C33 | 119.2° | 116.2° |
| H43 | C24 | H44 | 109.4° | 108.1° |
| O5 | C25 | N8 | 120.7° | 116.4° |
| C25 | N8 | C26 | 121.9° | 119.4° |
| C25 | N8 | C29 | 124.1° | 130.6° |
| C26 | N8 | C29 | 107.5° | 110.0° |
| N8 | C26 | C27 | 100.1° | 105.4° |
| N8 | C26 | C34 | 117.6° | 110.2° |
| N8 | C26 | H45 | 110.4° | 110.2° |
| N8 | C29 | C28 | 109.9° | 110.9° |
| N8 | C29 | C31 | 127.9° | 131.8° |
| C27 | C26 | C34 | 107.9° | 110.3° |
| C27 | C26 | H45 | 110.0° | 110.3° |
| C26 | C27 | C28 | 107.5° | 104.3° |
| C26 | C27 | H46 | 109.9° | 110.5° |
| C26 | C27 | H47 | 110.0° | 110.4° |
| C34 | C26 | H45 | 110.2° | 110.3° |
| C26 | C34 | O6 | 121.4° | 120.0° |
| C26 | C34 | N9 | 114.2° | 120.0° |
| C28 | C27 | H46 | 110.0° | 110.5° |
| C28 | C27 | H47 | 110.0° | 110.5° |
| C27 | C28 | C29 | 108.0° | 109.3° |
| C27 | C28 | C30 | 128.9° | 128.6° |
| H46 | C27 | H47 | 109.5° | 110.5° |
| C29 | C28 | C30 | 123.0° | 122.0° |
| C28 | C29 | C31 | 122.0° | 117.3° |
| C28 | C30 | C32 | 118.0° | 120.0° |
| C28 | C30 | H48 | 121.0° | 120.0° |
| C29 | C31 | C33 | 115.7° | 120.3° |
| C32 | C30 | H48 | 121.0° | 120.0° |
| C30 | C32 | C33 | 119.7° | 118.8° |
| C30 | C32 | H49 | 120.2° | 120.6° |
| C31 | C33 | C32 | 121.7° | 121.5° |
| C31 | C33 | H50 | 119.1° | 119.3° |
| C33 | C32 | H49 | 120.1° | 120.6° |
| C32 | C33 | H50 | 119.2° | 119.2° |
| O6 | C34 | N9 | 123.6° | 120.1° |
| C35 | N9 | H51 | 119.4° | 120.0° |
| N9 | C35 | C36 | 107.6° | 109.5° |
| N9 | C35 | C37 | 109.5° | 109.5° |
| N9 | C35 | H52 | 110.3° | 109.5° |
| C35 | N9 | C34 | 121.1° | 120.0° |
| H51 | N9 | C34 | 119.5° | 120.0° |
| C36 | C35 | C37 | 111.2° | 109.5° |
| C36 | C35 | H52 | 109.1° | 109.4° |
| C35 | C36 | O7 | 109.5° | 109.4° |
| C35 | C36 | H53 | 109.4° | 109.5° |
| C35 | C36 | H54 | 109.5° | 109.5° |
| C37 | C35 | H52 | 109.1° | 109.5° |
| C35 | C37 | O8 | 108.6° | 109.5° |
| C35 | C37 | H56 | 109.7° | 109.5° |
| C35 | C37 | H57 | 109.7° | 109.5° |
| O7 | C36 | H53 | 109.5° | 109.4° |
| O7 | C36 | H54 | 109.5° | 109.5° |
| C36 | O7 | H55 | 109.5° | 114.0° |
| H53 | C36 | H54 | 109.5° | 109.5° |
| O8 | C37 | H56 | 109.7° | 109.5° |
| O8 | C37 | H57 | 109.7° | 109.4° |
| C37 | O8 | H58 | 109.5° | 114.0° |
| H56 | C37 | H57 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.7° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 0.2° | 0.0° |
| O1 | C1 | N1 | H4 | 179.8° | 179.9° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 179.5° | 179.7° |
| C2 | C1 | N1 | H4 | 0.6° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 119.9° |
| H1 | C2 | C1 | N1 | 179.7° | 179.7° |
| H2 | C2 | C1 | N1 | 60.3° | 59.7° |
| H3 | C2 | C1 | N1 | 59.6° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 124.0° | 120.0° |
| N1 | C3 | C4 | H5 | 119.1° | 120.0° |
| N1 | C3 | C5 | H5 | 117.9° | 120.0° |
| N1 | C3 | C4 | O2 | 40.7° | 20.0° |
| N1 | C3 | C5 | C6 | 65.3° | 62.7° |
| N1 | C3 | C5 | H6 | 55.9° | 57.3° |
| N1 | C3 | C5 | H7 | 173.5° | 177.3° |
| N1 | C3 | C4 | N2 | 134.7° | 160.0° |
| H4 | N1 | C3 | C4 | 119.1° | 120.0° |
| H4 | N1 | C3 | C5 | 4.9° | 120.1° |
| H4 | N1 | C3 | H5 | 122.3° | 0.0° |
| C4 | C3 | C5 | H5 | 116.9° | 120.0° |
| C3 | C4 | O2 | N2 | 175.0° | 179.9° |
| C4 | C3 | C5 | C6 | 169.5° | 177.3° |
| C4 | C3 | C5 | H6 | 69.3° | 62.7° |
| C4 | C3 | C5 | H7 | 48.3° | 57.3° |
| C3 | C4 | N2 | C12 | 178.0° | 180.0° |
| C3 | C4 | N2 | H19 | 2.0° | 0.1° |
| C4 | C3 | N1 | C1 | 60.9° | 60.0° |
| C5 | C3 | C4 | O2 | 83.4° | 100.0° |
| C3 | C5 | C6 | H6 | 121.2° | 120.0° |
| C3 | C5 | C6 | H7 | 121.2° | 120.0° |
| C3 | C5 | H6 | H7 | 116.1° | 120.0° |
| C3 | C5 | C6 | C7 | 73.5° | 65.8° |
| C3 | C5 | C6 | C11 | 166.7° | 174.1° |
| C3 | C5 | C6 | H8 | 46.7° | 54.2° |
| C5 | C3 | N1 | C1 | 175.2° | 60.0° |
| C5 | C3 | C4 | N2 | 101.3° | 80.0° |
| H5 | C3 | C4 | O2 | 159.8° | 140.0° |
| H5 | C3 | C5 | C6 | 52.6° | 57.3° |
| H5 | C3 | C5 | H6 | 173.9° | 177.3° |
| H5 | C3 | C5 | H7 | 68.6° | 62.7° |
| H5 | C3 | N1 | C1 | 57.7° | 180.0° |
| H5 | C3 | C4 | N2 | 15.6° | 40.0° |
| O2 | C4 | N2 | C12 | 6.7° | 0.1° |
| O2 | C4 | N2 | H19 | 173.3° | 180.0° |
| C6 | C5 | H6 | H7 | 116.1° | 120.0° |
| C5 | C6 | C7 | C11 | 121.3° | 120.0° |
| C5 | C6 | C7 | H8 | 120.0° | 120.0° |
| C5 | C6 | C11 | H8 | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 178.0° | 180.0° |
| C5 | C6 | C7 | H9 | 57.6° | 60.0° |
| C5 | C6 | C7 | H10 | 61.5° | 60.0° |
| C5 | C6 | C11 | C10 | 178.4° | 180.0° |
| C5 | C6 | C11 | H17 | 61.2° | 60.0° |
| C5 | C6 | C11 | H18 | 58.0° | 60.0° |
| H6 | C5 | C6 | C7 | 165.3° | 174.2° |
| H6 | C5 | C6 | C11 | 45.5° | 54.2° |
| H6 | C5 | C6 | H8 | 74.6° | 65.8° |
| H7 | C5 | C6 | C7 | 47.8° | 54.2° |
| H7 | C5 | C6 | C11 | 72.1° | 65.8° |
| H7 | C5 | C6 | H8 | 167.9° | 174.2° |
| C7 | C6 | C11 | H8 | 118.8° | 120.0° |
| C6 | C7 | C8 | H9 | 120.4° | 120.0° |
| C6 | C7 | C8 | H10 | 120.4° | 120.0° |
| C6 | C7 | H9 | H10 | 118.7° | 120.0° |
| C6 | C7 | C8 | C9 | 57.4° | 60.0° |
| C6 | C7 | C8 | H11 | 177.7° | 180.0° |
| C6 | C7 | C8 | H12 | 62.8° | 60.0° |
| C7 | C6 | C11 | C10 | 57.1° | 59.9° |
| C7 | C6 | C11 | H17 | 177.5° | 180.0° |
| C7 | C6 | C11 | H18 | 63.2° | 60.0° |
| C11 | C6 | C7 | C8 | 56.8° | 60.0° |
| C11 | C6 | C7 | H9 | 63.6° | 60.0° |
| C11 | C6 | C7 | H10 | 177.2° | 180.0° |
| C6 | C11 | C10 | C9 | 57.7° | 60.0° |
| C6 | C11 | C10 | H17 | 120.4° | 120.0° |
| C6 | C11 | C10 | H18 | 120.3° | 120.0° |
| C6 | C11 | C10 | H15 | 178.0° | 180.0° |
| C6 | C11 | C10 | H16 | 62.5° | 60.0° |
| C6 | C11 | H17 | H18 | 118.9° | 120.0° |
| H8 | C6 | C7 | C8 | 62.0° | 60.0° |
| H8 | C6 | C7 | H9 | 177.6° | 180.0° |
| H8 | C6 | C7 | H10 | 58.5° | 60.1° |
| H8 | C6 | C11 | C10 | 61.6° | 60.0° |
| H8 | C6 | C11 | H17 | 58.7° | 60.0° |
| H8 | C6 | C11 | H18 | 178.0° | 180.0° |
| C8 | C7 | H9 | H10 | 118.8° | 120.0° |
| C7 | C8 | C9 | H11 | 120.3° | 120.0° |
| C7 | C8 | C9 | H12 | 120.3° | 120.0° |
| C7 | C8 | H11 | H12 | 119.2° | 120.0° |
| C7 | C8 | C9 | C10 | 55.3° | 60.0° |
| C7 | C8 | C9 | H13 | 64.9° | 59.9° |
| C7 | C8 | C9 | H14 | 175.4° | 180.0° |
| H9 | C7 | C8 | C9 | 63.0° | 60.0° |
| H9 | C7 | C8 | H11 | 57.3° | 60.0° |
| H9 | C7 | C8 | H12 | 176.7° | 180.0° |
| H10 | C7 | C8 | C9 | 177.9° | 179.9° |
| H10 | C7 | C8 | H11 | 61.9° | 60.0° |
| H10 | C7 | C8 | H12 | 57.6° | 60.0° |
| C9 | C8 | H11 | H12 | 119.2° | 120.0° |
| C8 | C9 | C10 | H13 | 120.1° | 120.0° |
| C8 | C9 | C10 | H14 | 120.1° | 119.9° |
| C8 | C9 | H13 | H14 | 119.7° | 120.1° |
| C8 | C9 | C10 | C11 | 55.7° | 60.0° |
| C8 | C9 | C10 | H15 | 175.9° | 180.0° |
| C8 | C9 | C10 | H16 | 64.5° | 60.0° |
| H11 | C8 | C9 | C10 | 175.5° | 180.0° |
| H11 | C8 | C9 | H13 | 55.4° | 60.0° |
| H11 | C8 | C9 | H14 | 64.4° | 60.1° |
| H12 | C8 | C9 | C10 | 65.0° | 60.0° |
| H12 | C8 | C9 | H13 | 174.9° | 180.0° |
| H12 | C8 | C9 | H14 | 55.1° | 59.9° |
| C10 | C9 | H13 | H14 | 119.6° | 120.0° |
| C9 | C10 | C11 | H15 | 120.2° | 120.0° |
| C9 | C10 | C11 | H16 | 120.2° | 120.0° |
| C9 | C10 | H15 | H16 | 119.3° | 120.0° |
| C9 | C10 | C11 | H17 | 178.1° | 180.0° |
| C9 | C10 | C11 | H18 | 62.6° | 60.0° |
| H13 | C9 | C10 | C11 | 64.4° | 60.0° |
| H13 | C9 | C10 | H15 | 55.8° | 60.0° |
| H13 | C9 | C10 | H16 | 175.3° | 180.0° |
| H14 | C9 | C10 | C11 | 175.8° | 179.9° |
| H14 | C9 | C10 | H15 | 64.0° | 60.1° |
| H14 | C9 | C10 | H16 | 55.6° | 60.0° |
| C11 | C10 | H15 | H16 | 119.3° | 120.0° |
| C10 | C11 | H17 | H18 | 118.9° | 120.0° |
| H15 | C10 | C11 | H17 | 61.6° | 60.0° |
| H15 | C10 | C11 | H18 | 57.6° | 60.0° |
| H16 | C10 | C11 | H17 | 57.9° | 60.0° |
| H16 | C10 | C11 | H18 | 177.2° | 180.0° |
| C12 | N2 | H19 | C4 | 180.0° | 179.9° |
| N2 | C12 | C13 | C14 | 119.1° | 120.0° |
| N2 | C12 | C13 | H20 | 119.8° | 120.0° |
| N2 | C12 | C14 | H20 | 121.9° | 120.1° |
| N2 | C12 | C13 | O3 | 32.4° | 0.0° |
| N2 | C12 | C14 | C15 | 76.0° | 65.0° |
| N2 | C12 | C14 | H21 | 44.9° | 55.0° |
| N2 | C12 | C14 | H22 | 163.1° | 175.0° |
| N2 | C12 | C13 | N6 | 146.3° | 180.0° |
| H19 | N2 | C12 | C13 | 78.4° | 25.0° |
| H19 | N2 | C12 | C14 | 41.7° | 95.0° |
| H19 | N2 | C12 | H20 | 162.9° | 144.9° |
| C13 | C12 | C14 | H20 | 120.9° | 119.9° |
| C12 | C13 | O3 | N6 | 178.6° | 180.0° |
| C13 | C12 | C14 | C15 | 166.8° | 175.0° |
| C13 | C12 | C14 | H21 | 72.3° | 65.0° |
| C13 | C12 | C14 | H22 | 45.9° | 55.0° |
| C12 | C13 | N6 | C18 | 5.0° | 0.0° |
| C12 | C13 | N6 | C19 | 179.3° | 180.0° |
| C13 | C12 | N2 | C4 | 101.6° | 154.9° |
| C14 | C12 | C13 | O3 | 86.7° | 120.0° |
| C12 | C14 | C15 | H21 | 120.9° | 120.0° |
| C12 | C14 | C15 | H22 | 120.9° | 120.0° |
| C12 | C14 | H21 | H22 | 117.2° | 120.0° |
| C12 | C14 | C15 | C16 | 170.2° | 180.0° |
| C12 | C14 | C15 | H23 | 69.9° | 60.0° |
| C12 | C14 | C15 | H24 | 50.3° | 60.0° |
| C14 | C12 | N2 | C4 | 138.4° | 85.1° |
| C14 | C12 | C13 | N6 | 94.6° | 60.0° |
| H20 | C12 | C13 | O3 | 152.1° | 120.0° |
| H20 | C12 | C14 | C15 | 45.9° | 55.0° |
| H20 | C12 | C14 | H21 | 166.8° | 175.0° |
| H20 | C12 | C14 | H22 | 75.0° | 65.0° |
| H20 | C12 | N2 | C4 | 17.1° | 35.0° |
| H20 | C12 | C13 | N6 | 26.5° | 60.0° |
| O3 | C13 | N6 | C18 | 173.5° | 180.0° |
| O3 | C13 | N6 | C19 | 0.8° | 0.0° |
| C15 | C14 | H21 | H22 | 117.2° | 120.0° |
| C14 | C15 | C16 | H23 | 119.9° | 120.0° |
| C14 | C15 | C16 | H24 | 119.9° | 120.0° |
| C14 | C15 | H23 | H24 | 120.3° | 120.0° |
| C14 | C15 | C16 | N3 | 178.7° | 180.0° |
| C14 | C15 | C16 | H25 | 58.2° | 60.0° |
| C14 | C15 | C16 | H26 | 60.8° | 60.0° |
| H21 | C14 | C15 | C16 | 49.3° | 60.0° |
| H21 | C14 | C15 | H23 | 169.2° | 180.0° |
| H21 | C14 | C15 | H24 | 70.6° | 60.0° |
| H22 | C14 | C15 | C16 | 69.0° | 60.0° |
| H22 | C14 | C15 | H23 | 50.9° | 60.0° |
| H22 | C14 | C15 | H24 | 171.2° | 180.0° |
| C16 | C15 | H23 | H24 | 120.4° | 120.0° |
| C15 | C16 | N3 | H25 | 120.5° | 120.0° |
| C15 | C16 | N3 | H26 | 120.5° | 120.0° |
| C15 | C16 | H25 | H26 | 118.5° | 120.0° |
| C15 | C16 | N3 | C17 | 169.7° | 180.0° |
| C15 | C16 | N3 | H27 | 10.3° | 0.0° |
| H23 | C15 | C16 | N3 | 61.4° | 60.0° |
| H23 | C15 | C16 | H25 | 178.1° | NaN° |
| H23 | C15 | C16 | H26 | 59.1° | 60.0° |
| H24 | C15 | C16 | N3 | 58.8° | 60.0° |
| H24 | C15 | C16 | H25 | 61.7° | 60.0° |
| H24 | C15 | C16 | H26 | 179.3° | 180.0° |
| N3 | C16 | H25 | H26 | 118.4° | 120.0° |
| C16 | N3 | C17 | H27 | 180.0° | 180.0° |
| C16 | N3 | C17 | N4 | 0.5° | 0.0° |
| C16 | N3 | C17 | N5 | 179.4° | 180.0° |
| H25 | C16 | N3 | C17 | 49.2° | 60.0° |
| H25 | C16 | N3 | H27 | 130.8° | 120.0° |
| H26 | C16 | N3 | C17 | 69.8° | 60.0° |
| H26 | C16 | N3 | H27 | 110.2° | 120.0° |
| N3 | C17 | N4 | N5 | 179.0° | 179.9° |
| N3 | C17 | N4 | H28 | 179.0° | 0.0° |
| N3 | C17 | N4 | H29 | 1.1° | 180.0° |
| N3 | C17 | N5 | H30 | 179.0° | 180.0° |
| N3 | C17 | N5 | H31 | 1.1° | 0.0° |
| H27 | N3 | C17 | N4 | 179.5° | 179.9° |
| H27 | N3 | C17 | N5 | 0.6° | 0.0° |
| C17 | N4 | H28 | H29 | 179.9° | 179.9° |
| N4 | C17 | N5 | H30 | 0.0° | 0.0° |
| N4 | C17 | N5 | H31 | 180.0° | 180.0° |
| N5 | C17 | N4 | H28 | 0.0° | 180.0° |
| N5 | C17 | N4 | H29 | 180.0° | 0.1° |
| C17 | N5 | H30 | H31 | 180.0° | 180.0° |
| C18 | N6 | C19 | C13 | 174.5° | 180.0° |
| N6 | C18 | H32 | H33 | 120.0° | 120.0° |
| N6 | C18 | H32 | H34 | 120.0° | 120.0° |
| N6 | C18 | H33 | H34 | 120.0° | 119.9° |
| C18 | N6 | C19 | C20 | 38.5° | 60.0° |
| C18 | N6 | C19 | C21 | 82.2° | 60.0° |
| C18 | N6 | C19 | H35 | 155.4° | 180.0° |
| C19 | N6 | C18 | H32 | 180.0° | 90.0° |
| C19 | N6 | C18 | H33 | 60.0° | 30.0° |
| C19 | N6 | C18 | H34 | 60.0° | 150.0° |
| N6 | C19 | C20 | C21 | 126.5° | 120.0° |
| N6 | C19 | C20 | H35 | 117.5° | 120.0° |
| N6 | C19 | C21 | H35 | 122.7° | 120.0° |
| N6 | C19 | C20 | H36 | 180.0° | 180.0° |
| N6 | C19 | C20 | H37 | 60.0° | 60.0° |
| N6 | C19 | C20 | H38 | 60.0° | 60.0° |
| N6 | C19 | C21 | O4 | 57.3° | 0.0° |
| N6 | C19 | C21 | N7 | 126.7° | 180.0° |
| H32 | C18 | H33 | H34 | 120.0° | 120.0° |
| H32 | C18 | N6 | C13 | 5.3° | 90.0° |
| H33 | C18 | N6 | C13 | 125.3° | 149.9° |
| H34 | C18 | N6 | C13 | 114.7° | 30.0° |
| C20 | C19 | C21 | H35 | 115.7° | 120.0° |
| C19 | C20 | H36 | H37 | 120.0° | 120.0° |
| C19 | C20 | H36 | H38 | 120.0° | 120.0° |
| C19 | C20 | H37 | H38 | 120.0° | 120.0° |
| C20 | C19 | C21 | O4 | 64.4° | 120.0° |
| C20 | C19 | N6 | C13 | 136.0° | 120.0° |
| C20 | C19 | C21 | N7 | 111.6° | 60.0° |
| C21 | C19 | C20 | H36 | 53.5° | 60.0° |
| C21 | C19 | C20 | H37 | 173.5° | 180.0° |
| C21 | C19 | C20 | H38 | 66.5° | 60.0° |
| C19 | C21 | O4 | N7 | 176.0° | 180.0° |
| C19 | C21 | N7 | C22 | 176.3° | 180.0° |
| C19 | C21 | N7 | H39 | 3.7° | 0.0° |
| C21 | C19 | N6 | C13 | 103.3° | 120.0° |
| H35 | C19 | C20 | H36 | 62.5° | 60.0° |
| H35 | C19 | C20 | H37 | 57.5° | 60.0° |
| H35 | C19 | C20 | H38 | 177.5° | 180.0° |
| H35 | C19 | C21 | O4 | 179.9° | 120.0° |
| H35 | C19 | N6 | C13 | 19.1° | 0.0° |
| H35 | C19 | C21 | N7 | 4.0° | 60.0° |
| H36 | C20 | H37 | H38 | 120.0° | 120.0° |
| O4 | C21 | N7 | C22 | 0.4° | 0.0° |
| O4 | C21 | N7 | H39 | 179.6° | 180.0° |
| C22 | N7 | H39 | C21 | 180.0° | 179.9° |
| N7 | C22 | C23 | C25 | 129.6° | 121.0° |
| N7 | C22 | C23 | H40 | 116.2° | 118.2° |
| N7 | C22 | C25 | H40 | 114.5° | 118.0° |
| N7 | C22 | C23 | C24 | 144.9° | 43.9° |
| N7 | C22 | C23 | H41 | 24.2° | 164.9° |
| N7 | C22 | C23 | H42 | 94.4° | 77.1° |
| N7 | C22 | C25 | O5 | 8.9° | 94.4° |
| N7 | C22 | C25 | N8 | 179.1° | 85.7° |
| H39 | N7 | C22 | C23 | 22.1° | 93.5° |
| H39 | N7 | C22 | C25 | 108.0° | 30.3° |
| H39 | N7 | C22 | H40 | 138.0° | 148.3° |
| C23 | C22 | C25 | H40 | 114.3° | 120.9° |
| C22 | C23 | C24 | H41 | 120.7° | 121.0° |
| C22 | C23 | C24 | H42 | 120.7° | 121.0° |
| C22 | C23 | H41 | H42 | 117.9° | 118.1° |
| C22 | C23 | C24 | C31 | 30.0° | 77.4° |
| C22 | C23 | C24 | H43 | 91.0° | 161.2° |
| C22 | C23 | C24 | H44 | 150.9° | 44.2° |
| C23 | C22 | C25 | O5 | 122.2° | 144.6° |
| C23 | C22 | C25 | N8 | 49.8° | 35.4° |
| C23 | C22 | N7 | C21 | 157.9° | 86.4° |
| C25 | C22 | C23 | C24 | 85.5° | 77.1° |
| C25 | C22 | C23 | H41 | 153.8° | 43.9° |
| C25 | C22 | C23 | H42 | 35.2° | 161.9° |
| C22 | C25 | O5 | N8 | 171.8° | 179.9° |
| C22 | C25 | N8 | C26 | 177.3° | 177.6° |
| C22 | C25 | N8 | C29 | 29.1° | 2.9° |
| C25 | C22 | N7 | C21 | 72.0° | 149.8° |
| H40 | C22 | C23 | C24 | 28.7° | 162.1° |
| H40 | C22 | C23 | H41 | 92.0° | 76.9° |
| H40 | C22 | C23 | H42 | 149.4° | 41.1° |
| H40 | C22 | C25 | O5 | 123.5° | 23.6° |
| H40 | C22 | C25 | N8 | 64.6° | 156.3° |
| H40 | C22 | N7 | C21 | 42.0° | 31.8° |
| C24 | C23 | H41 | H42 | 117.9° | 118.1° |
| C23 | C24 | C31 | H43 | 120.9° | 121.4° |
| C23 | C24 | C31 | H44 | 120.9° | 121.5° |
| C23 | C24 | H43 | H44 | 117.1° | 117.2° |
| C23 | C24 | C31 | C29 | 26.4° | 33.8° |
| C23 | C24 | C31 | C33 | 157.7° | 146.1° |
| H41 | C23 | C24 | C31 | 150.6° | 43.7° |
| H41 | C23 | C24 | H43 | 29.7° | 77.8° |
| H41 | C23 | C24 | H44 | 88.4° | 165.2° |
| H42 | C23 | C24 | C31 | 90.7° | 161.6° |
| H42 | C23 | C24 | H43 | 148.4° | 40.2° |
| H42 | C23 | C24 | H44 | 30.2° | 76.8° |
| C31 | C24 | H43 | H44 | 117.2° | 117.2° |
| C24 | C31 | C29 | N8 | 10.0° | 0.1° |
| C24 | C31 | C29 | C28 | 174.8° | 179.5° |
| C24 | C31 | C29 | C33 | 176.1° | 179.9° |
| C24 | C31 | C33 | C32 | 176.1° | 179.9° |
| C24 | C31 | C33 | H50 | 3.9° | 0.1° |
| H43 | C24 | C31 | C29 | 147.3° | 155.2° |
| H43 | C24 | C31 | C33 | 36.8° | 24.6° |
| H44 | C24 | C31 | C29 | 94.6° | 87.7° |
| H44 | C24 | C31 | C33 | 81.4° | 92.4° |
| O5 | C25 | N8 | C26 | 10.7° | 2.4° |
| O5 | C25 | N8 | C29 | 158.9° | 177.1° |
| C25 | N8 | C26 | C29 | 152.8° | 179.6° |
| C25 | N8 | C26 | C27 | 126.6° | 179.0° |
| C25 | N8 | C26 | C34 | 116.9° | 62.0° |
| C25 | N8 | C26 | H45 | 10.8° | 60.0° |
| C25 | N8 | C29 | C28 | 127.9° | 179.0° |
| C25 | N8 | C29 | C31 | 47.7° | 1.4° |
| N8 | C26 | C27 | C34 | 123.5° | 119.0° |
| N8 | C26 | C27 | H45 | 116.2° | 119.0° |
| N8 | C26 | C34 | H45 | 127.7° | 121.9° |
| N8 | C26 | C27 | C28 | 20.0° | 0.4° |
| N8 | C26 | C27 | H46 | 139.7° | 119.1° |
| N8 | C26 | C27 | H47 | 99.7° | 118.3° |
| C26 | N8 | C29 | C28 | 24.1° | 0.5° |
| C26 | N8 | C29 | C31 | 160.3° | 179.1° |
| N8 | C26 | C34 | O6 | 12.4° | 0.0° |
| N8 | C26 | C34 | N9 | 177.3° | 180.0° |
| C29 | N8 | C26 | C27 | 26.1° | 0.6° |
| C29 | N8 | C26 | C34 | 90.3° | 118.5° |
| C29 | N8 | C26 | H45 | 142.0° | 119.6° |
| N8 | C29 | C28 | C27 | 10.3° | 0.3° |
| N8 | C29 | C28 | C31 | 175.9° | 179.7° |
| N8 | C29 | C28 | C30 | 174.5° | 179.7° |
| N8 | C29 | C31 | C33 | 173.9° | 179.8° |
| C27 | C26 | C34 | H45 | 120.1° | 122.1° |
| C26 | C27 | C28 | H46 | 119.7° | 118.7° |
| C26 | C27 | C28 | H47 | 119.7° | 118.7° |
| C26 | C27 | H46 | H47 | 120.9° | 122.5° |
| C26 | C27 | C28 | C29 | 7.1° | 0.1° |
| C26 | C27 | C28 | C30 | 167.7° | 180.0° |
| C27 | C26 | C34 | O6 | 99.8° | 116.0° |
| C27 | C26 | C34 | N9 | 70.6° | 64.0° |
| C34 | C26 | C27 | C28 | 103.6° | 118.6° |
| C34 | C26 | C27 | H46 | 16.1° | 0.1° |
| C34 | C26 | C27 | H47 | 136.7° | 122.7° |
| C26 | C34 | O6 | N9 | 169.4° | 180.0° |
| C26 | C34 | N9 | C35 | 178.6° | 180.0° |
| C26 | C34 | N9 | H51 | 1.4° | 0.1° |
| H45 | C26 | C27 | C28 | 136.2° | 119.3° |
| H45 | C26 | C27 | H46 | 104.2° | 121.9° |
| H45 | C26 | C27 | H47 | 16.5° | 0.6° |
| H45 | C26 | C34 | O6 | 140.1° | 121.9° |
| H45 | C26 | C34 | N9 | 49.6° | 58.0° |
| C28 | C27 | H46 | H47 | 120.9° | 122.6° |
| C27 | C28 | C29 | C30 | 175.2° | 179.9° |
| C27 | C28 | C29 | C31 | 173.7° | 179.4° |
| C27 | C28 | C30 | C32 | 173.6° | 179.8° |
| C27 | C28 | C30 | H48 | 6.4° | 0.2° |
| H46 | C27 | C28 | C29 | 126.8° | 118.8° |
| H46 | C27 | C28 | C30 | 48.0° | 61.2° |
| H47 | C27 | C28 | C29 | 112.6° | 118.6° |
| H47 | C27 | C28 | C30 | 72.6° | 61.3° |
| C29 | C28 | C30 | C32 | 0.5° | 0.3° |
| C29 | C28 | C30 | H48 | 179.5° | 179.7° |
| C28 | C29 | C31 | C33 | 1.2° | 0.6° |
| C30 | C28 | C29 | C31 | 1.4° | 0.7° |
| C28 | C30 | C32 | H48 | 180.0° | 179.9° |
| C28 | C30 | C32 | C33 | 0.6° | 0.1° |
| C28 | C30 | C32 | H49 | 179.5° | 179.9° |
| C29 | C31 | C33 | C32 | 0.2° | 0.3° |
| C29 | C31 | C33 | H50 | 179.8° | 179.8° |
| C30 | C32 | C33 | C31 | 0.7° | 0.1° |
| C30 | C32 | C33 | H49 | 180.0° | 180.0° |
| C30 | C32 | C33 | H50 | 179.3° | 179.9° |
| H48 | C30 | C32 | C33 | 179.5° | 179.9° |
| H48 | C30 | C32 | H49 | 0.5° | 0.1° |
| C31 | C33 | C32 | H50 | 180.0° | 180.0° |
| C31 | C33 | C32 | H49 | 179.3° | 179.9° |
| H49 | C32 | C33 | H50 | 0.7° | 0.1° |
| O6 | C34 | N9 | C35 | 11.4° | 0.1° |
| O6 | C34 | N9 | H51 | 168.6° | 180.0° |
| C35 | N9 | H51 | C34 | 180.0° | 179.9° |
| N9 | C35 | C36 | C37 | 119.9° | 120.1° |
| N9 | C35 | C36 | H52 | 119.7° | 120.0° |
| N9 | C35 | C37 | H52 | 120.8° | 120.0° |
| N9 | C35 | C36 | O7 | 45.9° | 65.1° |
| N9 | C35 | C36 | H53 | 74.2° | 175.0° |
| N9 | C35 | C36 | H54 | 165.9° | 55.0° |
| N9 | C35 | C37 | O8 | 42.3° | 65.0° |
| N9 | C35 | C37 | H56 | 77.5° | 55.0° |
| N9 | C35 | C37 | H57 | 162.2° | 175.0° |
| H51 | N9 | C35 | C36 | 76.6° | 25.1° |
| H51 | N9 | C35 | C37 | 44.4° | 94.9° |
| H51 | N9 | C35 | H52 | 164.5° | 145.1° |
| C36 | C35 | C37 | H52 | 120.4° | 119.9° |
| C35 | C36 | O7 | H53 | 120.0° | 120.0° |
| C35 | C36 | O7 | H54 | 120.0° | 120.0° |
| C35 | C36 | H53 | H54 | 120.0° | 120.0° |
| C35 | C36 | O7 | H55 | 180.0° | 180.0° |
| C36 | C35 | C37 | O8 | 76.5° | 55.0° |
| C36 | C35 | C37 | H56 | 163.7° | 175.0° |
| C36 | C35 | C37 | H57 | 43.4° | 65.0° |
| C36 | C35 | N9 | C34 | 103.4° | 155.0° |
| C37 | C35 | C36 | O7 | 165.8° | 55.0° |
| C37 | C35 | C36 | H53 | 45.7° | 65.0° |
| C37 | C35 | C36 | H54 | 74.2° | 175.0° |
| C35 | C37 | O8 | H56 | 119.9° | 120.0° |
| C35 | C37 | O8 | H57 | 119.9° | 120.0° |
| C35 | C37 | H56 | H57 | 120.4° | 120.0° |
| C35 | C37 | O8 | H58 | 180.0° | 180.0° |
| C37 | C35 | N9 | C34 | 135.6° | 84.9° |
| H52 | C35 | C36 | O7 | 73.8° | 175.0° |
| H52 | C35 | C36 | H53 | 166.2° | 55.0° |
| H52 | C35 | C36 | H54 | 46.2° | 65.0° |
| H52 | C35 | C37 | O8 | 163.1° | 175.0° |
| H52 | C35 | C37 | H56 | 43.2° | 65.0° |
| H52 | C35 | C37 | H57 | 77.0° | 55.0° |
| H52 | C35 | N9 | C34 | 15.5° | 35.1° |
| O7 | C36 | H53 | H54 | 120.0° | 120.0° |
| H53 | C36 | O7 | H55 | 60.0° | 60.0° |
| H54 | C36 | O7 | H55 | 60.0° | 60.0° |
| O8 | C37 | H56 | H57 | 120.4° | 119.9° |
| H56 | C37 | O8 | H58 | 60.1° | 59.9° |
| H57 | C37 | O8 | H58 | 60.1° | 60.0° |
