PRD_000355
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.40Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.38Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.47Å | |
| C3 | C11 | sing | 1.53Å | 1.60Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.30Å | |
| N2 | C12 | sing | 1.38Å | 1.26Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| N3 | C12 | doub | 1.30Å | 1.22Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.48Å | Aromatic |
| C5 | C11 | sing | 1.51Å | 1.37Å | |
| C6 | C7 | sing | 1.38Å | 1.34Å | Aromatic |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.39Å | 1.43Å | Aromatic |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | C12 | sing | 1.48Å | 1.40Å | |
| C9 | C10 | doub | 1.38Å | 1.34Å | Aromatic |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| N4 | C13 | sing | 1.46Å | 1.48Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C15 | C13 | sing | 1.53Å | 1.41Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| O3 | C14 | doub | 1.21Å | 1.27Å | |
| C20 | C15 | sing | 1.53Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.46Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.46Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.46Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.43Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| N5 | C21 | sing | 1.46Å | 1.42Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.53Å | 1.66Å | |
| C21 | C28 | sing | 1.51Å | 1.54Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.42Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.46Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | N6 | sing | 1.47Å | 1.41Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| N6 | C26 | sing | 1.47Å | 1.35Å | |
| N6 | C27 | sing | 1.47Å | 1.34Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | O4 | doub | 1.21Å | 1.24Å | |
| N7 | C29 | sing | 1.47Å | 1.47Å | |
| N7 | H44 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | C31 | sing | 1.53Å | 1.50Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | O5 | doub | 1.21Å | 1.26Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | C34 | sing | 1.53Å | 1.52Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| N8 | C35 | sing | 1.47Å | 1.45Å | |
| N8 | C39 | sing | 1.47Å | 1.48Å | |
| C35 | C36 | sing | 1.51Å | 1.48Å | |
| C35 | C37 | sing | 1.54Å | 1.51Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | O6 | doub | 1.21Å | 1.26Å | |
| C37 | C38 | sing | 1.55Å | 1.52Å | |
| C37 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.55Å | 1.51Å | |
| C38 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| N9 | H62 | sing | 0.97Å | 1.00Å | |
| N9 | H63 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.27Å | |
| C4 | N4 | sing | 1.35Å | 1.29Å | |
| C14 | N5 | sing | 1.35Å | 1.49Å | |
| C28 | N7 | sing | 1.35Å | 1.33Å | |
| C36 | N9 | sing | 1.35Å | 1.37Å | |
| C30 | N8 | sing | 1.35Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.9° | 120.0° |
| O1 | C1 | N1 | 116.7° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 123.1° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 120.7° | 120.0° |
| N1 | C3 | C4 | 106.3° | 109.5° |
| N1 | C3 | C11 | 110.2° | 109.5° |
| N1 | C3 | H5 | 112.2° | 109.5° |
| C3 | N1 | C1 | 118.6° | 120.0° |
| H4 | N1 | C1 | 120.7° | 120.0° |
| C4 | C3 | C11 | 108.2° | 109.5° |
| C4 | C3 | H5 | 110.7° | 109.4° |
| C3 | C4 | O2 | 117.3° | 120.0° |
| C3 | C4 | N4 | 118.8° | 120.0° |
| C11 | C3 | H5 | 109.1° | 109.5° |
| C3 | C11 | C5 | 113.7° | 109.4° |
| C3 | C11 | H13 | 108.4° | 109.5° |
| C3 | C11 | H14 | 108.4° | 109.4° |
| O2 | C4 | N4 | 123.5° | 120.0° |
| C12 | N2 | H6 | 120.0° | 120.0° |
| C12 | N2 | H7 | 120.0° | 120.0° |
| N2 | C12 | N3 | 119.9° | 120.0° |
| N2 | C12 | C8 | 120.8° | 120.0° |
| H6 | N2 | H7 | 120.0° | 120.0° |
| C12 | N3 | H8 | 112.0° | 120.0° |
| N3 | C12 | C8 | 119.3° | 120.0° |
| C6 | C5 | C10 | 122.3° | 120.3° |
| C6 | C5 | C11 | 122.1° | 119.8° |
| C5 | C6 | C7 | 117.6° | 120.1° |
| C5 | C6 | H9 | 121.2° | 120.0° |
| C10 | C5 | C11 | 115.6° | 119.9° |
| C5 | C10 | C9 | 117.4° | 120.1° |
| C5 | C10 | H12 | 121.3° | 119.9° |
| C5 | C11 | H13 | 108.4° | 109.5° |
| C5 | C11 | H14 | 108.4° | 109.5° |
| C7 | C6 | H9 | 121.2° | 119.9° |
| C6 | C7 | C8 | 120.6° | 119.9° |
| C6 | C7 | H10 | 119.7° | 120.1° |
| C8 | C7 | H10 | 119.7° | 120.0° |
| C7 | C8 | C9 | 122.0° | 119.7° |
| C7 | C8 | C12 | 119.7° | 120.1° |
| C9 | C8 | C12 | 118.3° | 120.1° |
| C8 | C9 | C10 | 120.1° | 119.9° |
| C8 | C9 | H11 | 120.0° | 120.0° |
| C10 | C9 | H11 | 119.9° | 120.1° |
| C9 | C10 | H12 | 121.3° | 120.0° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| C13 | N4 | H15 | 116.1° | 120.0° |
| N4 | C13 | C15 | 109.8° | 109.5° |
| N4 | C13 | C14 | 109.6° | 109.5° |
| N4 | C13 | H16 | 109.7° | 109.5° |
| C13 | N4 | C4 | 127.8° | 120.0° |
| H15 | N4 | C4 | 116.1° | 120.0° |
| C15 | C13 | C14 | 108.1° | 109.4° |
| C15 | C13 | H16 | 110.7° | 109.5° |
| C13 | C15 | C20 | 108.9° | 109.5° |
| C13 | C15 | C16 | 110.8° | 109.5° |
| C13 | C15 | H17 | 108.6° | 109.5° |
| C14 | C13 | H16 | 108.8° | 109.4° |
| C13 | C14 | O3 | 124.4° | 120.0° |
| C13 | C14 | N5 | 113.9° | 120.0° |
| O3 | C14 | N5 | 120.6° | 120.0° |
| C20 | C15 | C16 | 112.9° | 109.5° |
| C20 | C15 | H17 | 108.2° | 109.4° |
| C15 | C20 | C19 | 111.7° | 109.5° |
| C15 | C20 | H26 | 108.9° | 109.4° |
| C15 | C20 | H27 | 108.9° | 109.4° |
| C16 | C15 | H17 | 107.4° | 109.4° |
| C15 | C16 | C17 | 109.3° | 109.5° |
| C15 | C16 | H18 | 109.5° | 109.4° |
| C15 | C16 | H19 | 109.5° | 109.5° |
| C17 | C16 | H18 | 109.5° | 109.5° |
| C17 | C16 | H19 | 109.5° | 109.5° |
| C16 | C17 | C18 | 109.4° | 109.5° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| C16 | C17 | H21 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| C18 | C17 | H20 | 109.5° | 109.4° |
| C18 | C17 | H21 | 109.5° | 109.5° |
| C17 | C18 | C19 | 106.7° | 109.5° |
| C17 | C18 | H22 | 110.1° | 109.4° |
| C17 | C18 | H23 | 110.2° | 109.4° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| C19 | C18 | H22 | 110.2° | 109.5° |
| C19 | C18 | H23 | 110.2° | 109.5° |
| C18 | C19 | C20 | 108.0° | 109.5° |
| C18 | C19 | H24 | 109.8° | 109.5° |
| C18 | C19 | H25 | 109.8° | 109.4° |
| H22 | C18 | H23 | 109.4° | 109.5° |
| C20 | C19 | H24 | 109.8° | 109.5° |
| C20 | C19 | H25 | 109.9° | 109.4° |
| C19 | C20 | H26 | 108.9° | 109.5° |
| C19 | C20 | H27 | 108.9° | 109.5° |
| H24 | C19 | H25 | 109.4° | 109.5° |
| H26 | C20 | H27 | 109.4° | 109.5° |
| C21 | N5 | H28 | 115.8° | 120.0° |
| N5 | C21 | C22 | 108.6° | 109.5° |
| N5 | C21 | C28 | 106.2° | 109.5° |
| N5 | C21 | H29 | 112.7° | 109.4° |
| C21 | N5 | C14 | 128.4° | 120.0° |
| H28 | N5 | C14 | 115.8° | 120.0° |
| C22 | C21 | C28 | 109.2° | 109.5° |
| C22 | C21 | H29 | 109.3° | 109.5° |
| C21 | C22 | C23 | 112.6° | 109.5° |
| C21 | C22 | H30 | 108.7° | 109.5° |
| C21 | C22 | H31 | 108.7° | 109.4° |
| C28 | C21 | H29 | 110.9° | 109.4° |
| C21 | C28 | O4 | 118.6° | 120.0° |
| C21 | C28 | N7 | 125.9° | 120.0° |
| C23 | C22 | H30 | 108.7° | 109.5° |
| C23 | C22 | H31 | 108.7° | 109.5° |
| C22 | C23 | C24 | 109.0° | 109.5° |
| C22 | C23 | H32 | 109.6° | 109.4° |
| C22 | C23 | H33 | 109.6° | 109.4° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| C24 | C23 | H32 | 109.6° | 109.5° |
| C24 | C23 | H33 | 109.6° | 109.5° |
| C23 | C24 | C25 | 108.5° | 109.5° |
| C23 | C24 | H34 | 109.7° | 109.5° |
| C23 | C24 | H35 | 109.7° | 109.5° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| C25 | C24 | H34 | 109.7° | 109.5° |
| C25 | C24 | H35 | 109.7° | 109.4° |
| C24 | C25 | N6 | 110.2° | 109.5° |
| C24 | C25 | H36 | 109.3° | 109.5° |
| C24 | C25 | H37 | 109.3° | 109.5° |
| H34 | C24 | H35 | 109.5° | 109.4° |
| N6 | C25 | H36 | 109.3° | 109.5° |
| N6 | C25 | H37 | 109.3° | 109.5° |
| C25 | N6 | C26 | 105.5° | 111.0° |
| C25 | N6 | C27 | 107.0° | 111.0° |
| H36 | C25 | H37 | 109.4° | 109.5° |
| C26 | N6 | C27 | 116.3° | 111.0° |
| N6 | C26 | H38 | 109.5° | 109.4° |
| N6 | C26 | H39 | 109.5° | 109.5° |
| N6 | C26 | H40 | 109.4° | 109.4° |
| N6 | C27 | H41 | 109.5° | 109.5° |
| N6 | C27 | H42 | 109.5° | 109.5° |
| N6 | C27 | H43 | 109.4° | 109.5° |
| H38 | C26 | H39 | 109.5° | 109.5° |
| H38 | C26 | H40 | 109.5° | 109.5° |
| H39 | C26 | H40 | 109.5° | 109.5° |
| H41 | C27 | H42 | 109.4° | 109.5° |
| H41 | C27 | H43 | 109.5° | 109.5° |
| H42 | C27 | H43 | 109.5° | 109.5° |
| O4 | C28 | N7 | 115.5° | 120.0° |
| C29 | N7 | H44 | 111.7° | 120.0° |
| N7 | C29 | C30 | 107.9° | 109.5° |
| N7 | C29 | C31 | 109.4° | 109.5° |
| N7 | C29 | H45 | 108.1° | 109.4° |
| C29 | N7 | C28 | 136.7° | 120.0° |
| H44 | N7 | C28 | 111.6° | 120.0° |
| C30 | C29 | C31 | 115.9° | 109.5° |
| C30 | C29 | H45 | 107.6° | 109.5° |
| C29 | C30 | O5 | 121.4° | 120.0° |
| C29 | C30 | N8 | 114.6° | 120.0° |
| C31 | C29 | H45 | 107.7° | 109.4° |
| C29 | C31 | C32 | 107.5° | 109.5° |
| C29 | C31 | H46 | 109.9° | 109.5° |
| C29 | C31 | H47 | 110.0° | 109.5° |
| O5 | C30 | N8 | 124.0° | 120.0° |
| C32 | C31 | H46 | 110.0° | 109.4° |
| C32 | C31 | H47 | 109.9° | 109.4° |
| C31 | C32 | C33 | 113.7° | 109.4° |
| C31 | C32 | C34 | 111.2° | 109.5° |
| C31 | C32 | H48 | 107.9° | 109.5° |
| H46 | C31 | H47 | 109.5° | 109.4° |
| C33 | C32 | C34 | 108.2° | 109.5° |
| C33 | C32 | H48 | 107.8° | 109.5° |
| C32 | C33 | H49 | 109.5° | 109.5° |
| C32 | C33 | H50 | 109.5° | 109.5° |
| C32 | C33 | H51 | 109.5° | 109.5° |
| C34 | C32 | H48 | 107.8° | 109.5° |
| C32 | C34 | H52 | 109.5° | 109.5° |
| C32 | C34 | H53 | 109.5° | 109.5° |
| C32 | C34 | H54 | 109.5° | 109.5° |
| H49 | C33 | H50 | 109.5° | 109.5° |
| H49 | C33 | H51 | 109.5° | 109.5° |
| H50 | C33 | H51 | 109.5° | 109.4° |
| H52 | C34 | H53 | 109.5° | 109.5° |
| H52 | C34 | H54 | 109.5° | 109.5° |
| H53 | C34 | H54 | 109.5° | 109.4° |
| C35 | N8 | C39 | 114.4° | 108.7° |
| N8 | C35 | C36 | 111.2° | 109.9° |
| N8 | C35 | C37 | 105.1° | 107.3° |
| N8 | C35 | H55 | 109.5° | 109.9° |
| C35 | N8 | C30 | 121.9° | 125.7° |
| N8 | C39 | C38 | 103.9° | 104.7° |
| N8 | C39 | H60 | 110.9° | 110.4° |
| N8 | C39 | H61 | 110.8° | 110.4° |
| C39 | N8 | C30 | 123.6° | 125.7° |
| C36 | C35 | C37 | 113.4° | 109.9° |
| C36 | C35 | H55 | 109.0° | 109.9° |
| C35 | C36 | O6 | 118.8° | 120.0° |
| C35 | C36 | N9 | 120.4° | 120.0° |
| C37 | C35 | H55 | 108.6° | 110.0° |
| C35 | C37 | C38 | 108.2° | 102.9° |
| C35 | C37 | H56 | 109.8° | 110.8° |
| C35 | C37 | H57 | 109.8° | 110.7° |
| O6 | C36 | N9 | 120.7° | 119.9° |
| C38 | C37 | H56 | 109.8° | 110.7° |
| C38 | C37 | H57 | 109.8° | 110.7° |
| C37 | C38 | C39 | 108.4° | 101.5° |
| C37 | C38 | H58 | 109.8° | 111.0° |
| C37 | C38 | H59 | 109.7° | 111.0° |
| H56 | C37 | H57 | 109.5° | 110.8° |
| C39 | C38 | H58 | 109.8° | 111.2° |
| C39 | C38 | H59 | 109.7° | 110.9° |
| C38 | C39 | H60 | 110.8° | 110.5° |
| C38 | C39 | H61 | 110.8° | 110.3° |
| H58 | C38 | H59 | 109.5° | 110.9° |
| H60 | C39 | H61 | 109.5° | 110.4° |
| H62 | N9 | H63 | 120.0° | 120.0° |
| H62 | N9 | C36 | 120.0° | 120.0° |
| H63 | N9 | C36 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 173.8° | 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 | 19.1° | 0.0° |
| O1 | C1 | N1 | H4 | 160.9° | 180.0° |
| 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 | 154.9° | 179.7° |
| C2 | C1 | N1 | H4 | 25.1° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 173.8° | 179.7° |
| H2 | C2 | C1 | N1 | 66.2° | 59.7° |
| H3 | C2 | C1 | N1 | 53.8° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C11 | 118.4° | 120.0° |
| N1 | C3 | C4 | H5 | 122.1° | 120.0° |
| N1 | C3 | C11 | H5 | 123.6° | 120.0° |
| N1 | C3 | C4 | O2 | 163.6° | 20.0° |
| N1 | C3 | C11 | C5 | 160.5° | 65.0° |
| N1 | C3 | C11 | H13 | 78.9° | 55.0° |
| N1 | C3 | C11 | H14 | 39.9° | 175.0° |
| N1 | C3 | C4 | N4 | 23.0° | 160.0° |
| H4 | N1 | C3 | C4 | 73.8° | 120.0° |
| H4 | N1 | C3 | C11 | 43.3° | 120.0° |
| H4 | N1 | C3 | H5 | 165.1° | 0.0° |
| C4 | C3 | C11 | H5 | 120.5° | 120.0° |
| C3 | C4 | O2 | N4 | 173.0° | 180.0° |
| C4 | C3 | C11 | C5 | 44.6° | 175.0° |
| C4 | C3 | C11 | H13 | 165.2° | 65.0° |
| C4 | C3 | C11 | H14 | 76.0° | 55.0° |
| C3 | C4 | N4 | C13 | 179.1° | 180.0° |
| C3 | C4 | N4 | H15 | 0.9° | 0.0° |
| C4 | C3 | N1 | C1 | 106.2° | 60.0° |
| C11 | C3 | C4 | O2 | 78.0° | 100.0° |
| C3 | C11 | C5 | C6 | 103.1° | 90.1° |
| C3 | C11 | C5 | C10 | 79.6° | 90.3° |
| C3 | C11 | C5 | H13 | 120.6° | 120.0° |
| C3 | C11 | C5 | H14 | 120.6° | 120.0° |
| C3 | C11 | H13 | H14 | 118.1° | 119.9° |
| C11 | C3 | N1 | C1 | 136.7° | 60.0° |
| C11 | C3 | C4 | N4 | 95.4° | 80.0° |
| H5 | C3 | C4 | O2 | 41.5° | 140.0° |
| H5 | C3 | C11 | C5 | 75.9° | 55.0° |
| H5 | C3 | C11 | H13 | 44.7° | 175.0° |
| H5 | C3 | C11 | H14 | 163.5° | 65.0° |
| H5 | C3 | N1 | C1 | 14.9° | 180.0° |
| H5 | C3 | C4 | N4 | 145.2° | 40.0° |
| O2 | C4 | N4 | C13 | 6.2° | 0.0° |
| O2 | C4 | N4 | H15 | 173.8° | 180.0° |
| C12 | N2 | H6 | H7 | 180.0° | 180.0° |
| N2 | C12 | N3 | C8 | 179.6° | 180.0° |
| N2 | C12 | N3 | H8 | 179.6° | 180.0° |
| N2 | C12 | C8 | C7 | 179.3° | 180.0° |
| N2 | C12 | C8 | C9 | 0.3° | 0.0° |
| H6 | N2 | C12 | N3 | 179.6° | 0.0° |
| H6 | N2 | C12 | C8 | 0.0° | 180.0° |
| H7 | N2 | C12 | N3 | 0.4° | 180.0° |
| H7 | N2 | C12 | C8 | 180.0° | 0.0° |
| N3 | C12 | C8 | C7 | 0.3° | 0.0° |
| N3 | C12 | C8 | C9 | 179.3° | 180.0° |
| H8 | N3 | C12 | C8 | 0.0° | 0.0° |
| C6 | C5 | C10 | C11 | 177.2° | 179.6° |
| C5 | C6 | C7 | H9 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 2.9° | 0.1° |
| C5 | C6 | C7 | H10 | 177.1° | 180.0° |
| C6 | C5 | C10 | C9 | 2.1° | 0.0° |
| C6 | C5 | C10 | H12 | 177.9° | 180.0° |
| C6 | C5 | C11 | H13 | 17.5° | 30.0° |
| C6 | C5 | C11 | H14 | 136.3° | 150.0° |
| C10 | C5 | C6 | C7 | 3.8° | 0.1° |
| C10 | C5 | C6 | H9 | 176.2° | 180.0° |
| C5 | C10 | C9 | C8 | 0.6° | 0.0° |
| C5 | C10 | C9 | H12 | 180.0° | 180.0° |
| C5 | C10 | C9 | H11 | 179.4° | 179.9° |
| C10 | C5 | C11 | H13 | 159.8° | 149.7° |
| C10 | C5 | C11 | H14 | 41.0° | 29.6° |
| C11 | C5 | C6 | C7 | 179.2° | 179.7° |
| C11 | C5 | C6 | H9 | 0.8° | 0.4° |
| C11 | C5 | C10 | C9 | 179.3° | 179.7° |
| C11 | C5 | C10 | H12 | 0.7° | 0.4° |
| C5 | C11 | H13 | H14 | 118.1° | 120.1° |
| C6 | C7 | C8 | H10 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C6 | C7 | C8 | C12 | 178.6° | 180.0° |
| H9 | C6 | C7 | C8 | 177.1° | 180.0° |
| H9 | C6 | C7 | H10 | 2.9° | 0.0° |
| C7 | C8 | C9 | C12 | 179.0° | 179.9° |
| C7 | C8 | C9 | C10 | 1.5° | 0.0° |
| C7 | C8 | C9 | H11 | 178.5° | 179.9° |
| H10 | C7 | C8 | C9 | 179.6° | 180.0° |
| H10 | C7 | C8 | C12 | 1.4° | 0.1° |
| C8 | C9 | C10 | H11 | 180.0° | 179.9° |
| C8 | C9 | C10 | H12 | 179.4° | 180.0° |
| C12 | C8 | C9 | C10 | 179.6° | 179.9° |
| C12 | C8 | C9 | H11 | 0.5° | 0.0° |
| H11 | C9 | C10 | H12 | 0.6° | 0.1° |
| C13 | N4 | H15 | C4 | 180.0° | 180.0° |
| N4 | C13 | C15 | C14 | 119.6° | 120.0° |
| N4 | C13 | C15 | H16 | 121.3° | 120.1° |
| N4 | C13 | C14 | H16 | 120.0° | 120.0° |
| N4 | C13 | C14 | O3 | 87.0° | 0.0° |
| N4 | C13 | C15 | C20 | 49.1° | 60.0° |
| N4 | C13 | C15 | C16 | 75.6° | 60.0° |
| N4 | C13 | C15 | H17 | 166.7° | 180.0° |
| N4 | C13 | C14 | N5 | 81.2° | 180.0° |
| H15 | N4 | C13 | C15 | 25.4° | 95.0° |
| H15 | N4 | C13 | C14 | 93.2° | 25.0° |
| H15 | N4 | C13 | H16 | 147.3° | 145.0° |
| C15 | C13 | C14 | H16 | 120.4° | 120.0° |
| C15 | C13 | C14 | O3 | 32.6° | 120.0° |
| C13 | C15 | C20 | C16 | 123.4° | 120.0° |
| C13 | C15 | C20 | H17 | 117.9° | 120.0° |
| C13 | C15 | C16 | H17 | 118.5° | 120.0° |
| C13 | C15 | C16 | C17 | 171.3° | 180.0° |
| C13 | C15 | C16 | H18 | 68.8° | 60.0° |
| C13 | C15 | C16 | H19 | 51.3° | 60.0° |
| C13 | C15 | C20 | C19 | 175.0° | 180.0° |
| C13 | C15 | C20 | H26 | 54.6° | 60.0° |
| C13 | C15 | C20 | H27 | 64.7° | 60.0° |
| C15 | C13 | N4 | C4 | 154.6° | 85.1° |
| C15 | C13 | C14 | N5 | 159.1° | 60.0° |
| C13 | C14 | O3 | N5 | 167.5° | 180.0° |
| C14 | C13 | C15 | C20 | 70.4° | 60.0° |
| C14 | C13 | C15 | C16 | 164.8° | 180.0° |
| C14 | C13 | C15 | H17 | 47.1° | 60.0° |
| C13 | C14 | N5 | C21 | 171.2° | 180.0° |
| C13 | C14 | N5 | H28 | 8.8° | 0.0° |
| C14 | C13 | N4 | C4 | 86.8° | 155.0° |
| H16 | C13 | C14 | O3 | 153.0° | 120.0° |
| H16 | C13 | C15 | C20 | 170.4° | 179.9° |
| H16 | C13 | C15 | C16 | 45.7° | 60.0° |
| H16 | C13 | C15 | H17 | 72.0° | 59.9° |
| H16 | C13 | N4 | C4 | 32.7° | 35.0° |
| H16 | C13 | C14 | N5 | 38.8° | 60.0° |
| O3 | C14 | N5 | C21 | 20.1° | 0.0° |
| O3 | C14 | N5 | H28 | 160.0° | 180.0° |
| C20 | C15 | C16 | H17 | 119.1° | 119.9° |
| C20 | C15 | C16 | C17 | 48.9° | 59.9° |
| C20 | C15 | C16 | H18 | 168.9° | 179.9° |
| C20 | C15 | C16 | H19 | 71.1° | 60.1° |
| C15 | C20 | C19 | C18 | 60.6° | 60.0° |
| C15 | C20 | C19 | H26 | 120.4° | 119.9° |
| C15 | C20 | C19 | H27 | 120.3° | 120.0° |
| C15 | C20 | C19 | H24 | 59.2° | 60.1° |
| C15 | C20 | C19 | H25 | 179.6° | 179.9° |
| C15 | C20 | H26 | H27 | 118.9° | 119.9° |
| C15 | C16 | C17 | H18 | 120.0° | 120.0° |
| C15 | C16 | C17 | H19 | 120.0° | 120.0° |
| C15 | C16 | H18 | H19 | 120.1° | 120.0° |
| C15 | C16 | C17 | C18 | 56.6° | 60.0° |
| C15 | C16 | C17 | H20 | 63.4° | 60.0° |
| C15 | C16 | C17 | H21 | 176.6° | 180.0° |
| C16 | C15 | C20 | C19 | 51.6° | 59.9° |
| C16 | C15 | C20 | H26 | 68.8° | 60.0° |
| C16 | C15 | C20 | H27 | 171.9° | 180.0° |
| H17 | C15 | C16 | C17 | 70.2° | 60.0° |
| H17 | C15 | C16 | H18 | 49.7° | 60.0° |
| H17 | C15 | C16 | H19 | 169.8° | 180.0° |
| H17 | C15 | C20 | C19 | 67.1° | 60.0° |
| H17 | C15 | C20 | H26 | 172.5° | 179.9° |
| H17 | C15 | C20 | H27 | 53.2° | 60.1° |
| C17 | C16 | H18 | H19 | 120.1° | 120.0° |
| C16 | C17 | C18 | H20 | 120.0° | 120.0° |
| C16 | C17 | C18 | H21 | 120.0° | 120.0° |
| C16 | C17 | H20 | H21 | 120.0° | 119.9° |
| C16 | C17 | C18 | C19 | 66.9° | 60.0° |
| C16 | C17 | C18 | H22 | 173.5° | 180.0° |
| C16 | C17 | C18 | H23 | 52.7° | 60.0° |
| H18 | C16 | C17 | C18 | 176.6° | 179.9° |
| H18 | C16 | C17 | H20 | 56.6° | 60.0° |
| H18 | C16 | C17 | H21 | 63.5° | 60.0° |
| H19 | C16 | C17 | C18 | 63.4° | 60.1° |
| H19 | C16 | C17 | H20 | 176.6° | 180.0° |
| H19 | C16 | C17 | H21 | 56.6° | 60.0° |
| C18 | C17 | H20 | H21 | 120.1° | 120.1° |
| C17 | C18 | C19 | H22 | 119.6° | 120.0° |
| C17 | C18 | C19 | H23 | 119.6° | 120.0° |
| C17 | C18 | H22 | H23 | 121.3° | 119.9° |
| C17 | C18 | C19 | C20 | 67.7° | 60.0° |
| C17 | C18 | C19 | H24 | 52.1° | 60.0° |
| C17 | C18 | C19 | H25 | 172.5° | 179.9° |
| H20 | C17 | C18 | C19 | 53.1° | 60.0° |
| H20 | C17 | C18 | H22 | 66.5° | 60.0° |
| H20 | C17 | C18 | H23 | 172.7° | 180.0° |
| H21 | C17 | C18 | C19 | 173.1° | 180.0° |
| H21 | C17 | C18 | H22 | 53.6° | 60.0° |
| H21 | C17 | C18 | H23 | 67.3° | 60.0° |
| C19 | C18 | H22 | H23 | 121.3° | 120.1° |
| C18 | C19 | C20 | H24 | 119.8° | 120.1° |
| C18 | C19 | C20 | H25 | 119.8° | 119.9° |
| C18 | C19 | H24 | H25 | 120.6° | 120.0° |
| C18 | C19 | C20 | H26 | 59.8° | 59.9° |
| C18 | C19 | C20 | H27 | 179.1° | 180.0° |
| H22 | C18 | C19 | C20 | 172.8° | 180.0° |
| H22 | C18 | C19 | H24 | 67.5° | 59.9° |
| H22 | C18 | C19 | H25 | 53.0° | 60.1° |
| H23 | C18 | C19 | C20 | 51.9° | 59.9° |
| H23 | C18 | C19 | H24 | 171.7° | 180.0° |
| H23 | C18 | C19 | H25 | 67.9° | 60.0° |
| C20 | C19 | H24 | H25 | 120.7° | 119.9° |
| C19 | C20 | H26 | H27 | 119.0° | 120.1° |
| H24 | C19 | C20 | H26 | 179.5° | 180.0° |
| H24 | C19 | C20 | H27 | 61.1° | 59.9° |
| H25 | C19 | C20 | H26 | 60.0° | 60.0° |
| H25 | C19 | C20 | H27 | 59.3° | 60.1° |
| C21 | N5 | H28 | C14 | 180.0° | 180.0° |
| N5 | C21 | C22 | C28 | 115.3° | 120.0° |
| N5 | C21 | C22 | H29 | 123.2° | 120.0° |
| N5 | C21 | C28 | H29 | 122.7° | 120.0° |
| N5 | C21 | C22 | C23 | 92.7° | 65.0° |
| N5 | C21 | C22 | H30 | 27.8° | 55.1° |
| N5 | C21 | C22 | H31 | 146.9° | 175.0° |
| N5 | C21 | C28 | O4 | 3.4° | 0.0° |
| N5 | C21 | C28 | N7 | 177.6° | 180.0° |
| H28 | N5 | C21 | C22 | 17.9° | 95.0° |
| H28 | N5 | C21 | C28 | 99.4° | 25.1° |
| H28 | N5 | C21 | H29 | 139.0° | 145.0° |
| C22 | C21 | C28 | H29 | 120.4° | 120.0° |
| C21 | C22 | C23 | H30 | 120.5° | 120.0° |
| C21 | C22 | C23 | H31 | 120.5° | 119.9° |
| C21 | C22 | H30 | H31 | 118.6° | 119.9° |
| C21 | C22 | C23 | C24 | 51.4° | 180.0° |
| C21 | C22 | C23 | H32 | 171.3° | 60.0° |
| C21 | C22 | C23 | H33 | 68.5° | 60.0° |
| C22 | C21 | C28 | O4 | 120.3° | 120.0° |
| C22 | C21 | N5 | C14 | 162.2° | 85.0° |
| C22 | C21 | C28 | N7 | 60.7° | 60.0° |
| C28 | C21 | C22 | C23 | 152.0° | 175.0° |
| C28 | C21 | C22 | H30 | 87.5° | 65.0° |
| C28 | C21 | C22 | H31 | 31.6° | 55.0° |
| C21 | C28 | O4 | N7 | 179.1° | 180.0° |
| C21 | C28 | N7 | C29 | 94.1° | 175.0° |
| C21 | C28 | N7 | H44 | 85.9° | 5.0° |
| C28 | C21 | N5 | C14 | 80.6° | 155.0° |
| H29 | C21 | C22 | C23 | 30.6° | 55.0° |
| H29 | C21 | C22 | H30 | 151.0° | 175.0° |
| H29 | C21 | C22 | H31 | 89.9° | 65.0° |
| H29 | C21 | C28 | O4 | 119.3° | 120.0° |
| H29 | C21 | N5 | C14 | 41.0° | 35.0° |
| H29 | C21 | C28 | N7 | 59.7° | 60.0° |
| C23 | C22 | H30 | H31 | 118.6° | 120.0° |
| C22 | C23 | C24 | H32 | 119.9° | 120.0° |
| C22 | C23 | C24 | H33 | 119.9° | 120.0° |
| C22 | C23 | H32 | H33 | 120.2° | 119.9° |
| C22 | C23 | C24 | C25 | 137.3° | NaN° |
| C22 | C23 | C24 | H34 | 17.4° | 59.9° |
| C22 | C23 | C24 | H35 | 102.9° | 60.0° |
| H30 | C22 | C23 | C24 | 69.1° | 60.0° |
| H30 | C22 | C23 | H32 | 50.9° | 180.0° |
| H30 | C22 | C23 | H33 | 171.0° | 60.0° |
| H31 | C22 | C23 | C24 | 171.9° | 60.1° |
| H31 | C22 | C23 | H32 | 68.2° | 60.0° |
| H31 | C22 | C23 | H33 | 52.0° | 179.9° |
| C24 | C23 | H32 | H33 | 120.2° | 120.1° |
| C23 | C24 | C25 | H34 | 119.8° | 120.0° |
| C23 | C24 | C25 | H35 | 119.8° | 120.0° |
| C23 | C24 | H34 | H35 | 120.4° | 120.0° |
| C23 | C24 | C25 | N6 | 126.4° | 180.0° |
| C23 | C24 | C25 | H36 | 113.5° | 60.0° |
| C23 | C24 | C25 | H37 | 6.2° | 60.0° |
| H32 | C23 | C24 | C25 | 102.8° | 60.0° |
| H32 | C23 | C24 | H34 | 137.4° | 179.9° |
| H32 | C23 | C24 | H35 | 17.0° | 60.0° |
| H33 | C23 | C24 | C25 | 17.3° | 60.0° |
| H33 | C23 | C24 | H34 | 102.5° | 60.0° |
| H33 | C23 | C24 | H35 | 137.2° | 180.0° |
| C25 | C24 | H34 | H35 | 120.5° | 120.0° |
| C24 | C25 | N6 | H36 | 120.1° | 120.0° |
| C24 | C25 | N6 | H37 | 120.1° | 120.0° |
| C24 | C25 | H36 | H37 | 119.7° | 120.0° |
| C24 | C25 | N6 | C26 | 134.8° | 66.1° |
| C24 | C25 | N6 | C27 | 100.8° | 170.0° |
| H34 | C24 | C25 | N6 | 6.6° | 60.0° |
| H34 | C24 | C25 | H36 | 126.7° | 180.0° |
| H34 | C24 | C25 | H37 | 113.6° | 60.0° |
| H35 | C24 | C25 | N6 | 113.8° | 60.0° |
| H35 | C24 | C25 | H36 | 6.3° | 60.0° |
| H35 | C24 | C25 | H37 | 126.1° | 180.0° |
| N6 | C25 | H36 | H37 | 119.7° | 120.0° |
| C25 | N6 | C26 | C27 | 118.4° | 123.9° |
| C25 | N6 | C26 | H38 | 180.0° | 59.9° |
| C25 | N6 | C26 | H39 | 60.0° | 180.0° |
| C25 | N6 | C26 | H40 | 60.0° | 60.0° |
| C25 | N6 | C27 | H41 | 180.0° | 60.0° |
| C25 | N6 | C27 | H42 | 60.0° | 180.0° |
| C25 | N6 | C27 | H43 | 60.0° | 60.0° |
| H36 | C25 | N6 | C26 | 14.7° | 53.9° |
| H36 | C25 | N6 | C27 | 139.1° | 70.0° |
| H37 | C25 | N6 | C26 | 105.1° | 173.9° |
| H37 | C25 | N6 | C27 | 19.4° | 50.0° |
| N6 | C26 | H38 | H39 | 120.0° | 120.1° |
| N6 | C26 | H38 | H40 | 120.0° | 119.9° |
| N6 | C26 | H39 | H40 | 120.0° | 120.0° |
| C26 | N6 | C27 | H41 | 62.4° | 176.0° |
| C26 | N6 | C27 | H42 | 57.6° | 56.0° |
| C26 | N6 | C27 | H43 | 177.6° | 64.0° |
| C27 | N6 | C26 | H38 | 61.6° | 64.0° |
| C27 | N6 | C26 | H39 | 178.4° | 56.0° |
| C27 | N6 | C26 | H40 | 58.4° | 176.0° |
| N6 | C27 | H41 | H42 | 120.0° | 120.0° |
| N6 | C27 | H41 | H43 | 120.0° | 120.0° |
| N6 | C27 | H42 | H43 | 120.0° | 120.0° |
| H38 | C26 | H39 | H40 | 120.0° | 120.0° |
| H41 | C27 | H42 | H43 | 120.0° | 120.0° |
| O4 | C28 | N7 | C29 | 84.9° | 5.0° |
| O4 | C28 | N7 | H44 | 95.1° | 175.0° |
| C29 | N7 | H44 | C28 | 180.0° | 180.0° |
| N7 | C29 | C30 | C31 | 123.0° | 120.0° |
| N7 | C29 | C30 | H45 | 116.4° | 120.0° |
| N7 | C29 | C31 | H45 | 117.3° | 120.0° |
| N7 | C29 | C30 | O5 | 76.2° | 16.6° |
| N7 | C29 | C31 | C32 | 134.4° | 53.1° |
| N7 | C29 | C31 | H46 | 14.7° | 173.0° |
| N7 | C29 | C31 | H47 | 105.9° | 67.0° |
| N7 | C29 | C30 | N8 | 104.9° | 163.5° |
| H44 | N7 | C29 | C30 | 136.1° | 25.6° |
| H44 | N7 | C29 | C31 | 96.9° | 94.5° |
| H44 | N7 | C29 | H45 | 20.0° | 145.6° |
| C30 | C29 | C31 | H45 | 120.5° | 120.0° |
| C29 | C30 | O5 | N8 | 178.8° | 180.0° |
| C30 | C29 | C31 | C32 | 103.3° | 67.0° |
| C30 | C29 | C31 | H46 | 136.9° | 53.0° |
| C30 | C29 | C31 | H47 | 16.3° | 173.0° |
| C29 | C30 | N8 | C35 | 144.0° | 173.4° |
| C29 | C30 | N8 | C39 | 35.7° | 6.3° |
| C30 | C29 | N7 | C28 | 43.9° | 154.4° |
| C31 | C29 | C30 | O5 | 46.8° | 103.5° |
| C29 | C31 | C32 | H46 | 119.7° | 120.0° |
| C29 | C31 | C32 | H47 | 119.7° | 120.1° |
| C29 | C31 | H46 | H47 | 120.9° | 120.1° |
| C29 | C31 | C32 | C33 | 125.9° | 77.0° |
| C29 | C31 | C32 | C34 | 111.7° | 162.9° |
| C29 | C31 | C32 | H48 | 6.4° | 42.9° |
| C31 | C29 | N7 | C28 | 83.1° | 85.5° |
| C31 | C29 | C30 | N8 | 132.1° | 76.5° |
| H45 | C29 | C30 | O5 | 167.3° | 136.5° |
| H45 | C29 | C31 | C32 | 17.1° | 173.0° |
| H45 | C29 | C31 | H46 | 102.6° | 67.0° |
| H45 | C29 | C31 | H47 | 136.8° | 53.0° |
| H45 | C29 | N7 | C28 | 160.0° | 34.4° |
| H45 | C29 | C30 | N8 | 11.6° | 43.5° |
| O5 | C30 | N8 | C35 | 34.9° | 6.7° |
| O5 | C30 | N8 | C39 | 145.5° | 173.6° |
| C32 | C31 | H46 | H47 | 120.9° | 119.9° |
| C31 | C32 | C33 | C34 | 124.1° | 120.0° |
| C31 | C32 | C33 | H48 | 119.5° | 120.0° |
| C31 | C32 | C34 | H48 | 118.1° | 120.0° |
| C31 | C32 | C33 | H49 | 180.0° | 41.7° |
| C31 | C32 | C33 | H50 | 60.0° | 161.7° |
| C31 | C32 | C33 | H51 | 60.0° | 78.4° |
| C31 | C32 | C34 | H52 | 180.0° | 60.0° |
| C31 | C32 | C34 | H53 | 60.0° | 180.0° |
| C31 | C32 | C34 | H54 | 60.0° | 60.0° |
| H46 | C31 | C32 | C33 | 6.2° | 43.0° |
| H46 | C31 | C32 | C34 | 128.6° | 77.0° |
| H46 | C31 | C32 | H48 | 113.3° | 162.9° |
| H47 | C31 | C32 | C33 | 114.4° | 162.9° |
| H47 | C31 | C32 | C34 | 8.0° | 42.9° |
| H47 | C31 | C32 | H48 | 126.1° | 77.1° |
| C33 | C32 | C34 | H48 | 116.4° | 120.0° |
| C32 | C33 | H49 | H50 | 120.0° | 120.0° |
| C32 | C33 | H49 | H51 | 120.0° | 120.0° |
| C32 | C33 | H50 | H51 | 120.0° | 120.0° |
| C33 | C32 | C34 | H52 | 54.4° | 180.0° |
| C33 | C32 | C34 | H53 | 65.6° | 60.0° |
| C33 | C32 | C34 | H54 | 174.4° | 60.0° |
| C34 | C32 | C33 | H49 | 55.9° | 78.4° |
| C34 | C32 | C33 | H50 | 175.9° | 41.6° |
| C34 | C32 | C33 | H51 | 64.1° | 161.6° |
| C32 | C34 | H52 | H53 | 120.0° | 120.1° |
| C32 | C34 | H52 | H54 | 120.0° | 120.0° |
| C32 | C34 | H53 | H54 | 120.0° | 120.0° |
| H48 | C32 | C33 | H49 | 60.5° | 161.6° |
| H48 | C32 | C33 | H50 | 59.5° | 78.4° |
| H48 | C32 | C33 | H51 | 179.6° | 41.6° |
| H48 | C32 | C34 | H52 | 61.9° | 60.0° |
| H48 | C32 | C34 | H53 | 178.1° | 60.0° |
| H48 | C32 | C34 | H54 | 58.1° | NaN° |
| H49 | C33 | H50 | H51 | 120.0° | 120.0° |
| H52 | C34 | H53 | H54 | 120.0° | 120.0° |
| C35 | N8 | C39 | C30 | 179.7° | 179.7° |
| N8 | C35 | C36 | C37 | 118.1° | 117.9° |
| N8 | C35 | C36 | H55 | 120.8° | 121.0° |
| N8 | C35 | C37 | H55 | 117.0° | 119.5° |
| N8 | C35 | C36 | O6 | 67.8° | 27.3° |
| N8 | C35 | C37 | C38 | 0.4° | 22.2° |
| N8 | C35 | C37 | H56 | 120.2° | 140.6° |
| N8 | C35 | C37 | H57 | 119.4° | 96.1° |
| C35 | N8 | C39 | C38 | 3.1° | 24.4° |
| C35 | N8 | C39 | H60 | 115.9° | 94.5° |
| C35 | N8 | C39 | H61 | 122.2° | 143.2° |
| N8 | C35 | C36 | N9 | 116.9° | 152.8° |
| C39 | N8 | C35 | C36 | 124.8° | 120.7° |
| C39 | N8 | C35 | C37 | 1.8° | 1.3° |
| C39 | N8 | C35 | H55 | 114.7° | 118.3° |
| N8 | C39 | C38 | C37 | 3.2° | 37.3° |
| N8 | C39 | C38 | H60 | 119.1° | 118.9° |
| N8 | C39 | C38 | H61 | 119.1° | 118.8° |
| N8 | C39 | C38 | H58 | 116.7° | 80.8° |
| N8 | C39 | C38 | H59 | 123.0° | 155.3° |
| N8 | C39 | H60 | H61 | 122.6° | 122.3° |
| C36 | C35 | C37 | H55 | 121.3° | 121.1° |
| C35 | C36 | O6 | N9 | 175.3° | 180.0° |
| C36 | C35 | C37 | C38 | 121.2° | 97.2° |
| C36 | C35 | C37 | H56 | 1.4° | 21.1° |
| C36 | C35 | C37 | H57 | 118.9° | 144.4° |
| C35 | C36 | N9 | H62 | 175.2° | 0.0° |
| C35 | C36 | N9 | H63 | 4.8° | 179.9° |
| C36 | C35 | N8 | C30 | 54.9° | 59.6° |
| C37 | C35 | C36 | O6 | 50.3° | 90.6° |
| C35 | C37 | C38 | H56 | 119.8° | 118.4° |
| C35 | C37 | C38 | H57 | 119.8° | 118.3° |
| C35 | C37 | H56 | H57 | 120.6° | 123.3° |
| C35 | C37 | C38 | C39 | 2.3° | 35.7° |
| C35 | C37 | C38 | H58 | 117.5° | 82.6° |
| C35 | C37 | C38 | H59 | 122.1° | 153.6° |
| C37 | C35 | C36 | N9 | 125.0° | 89.4° |
| C37 | C35 | N8 | C30 | 177.9° | 179.0° |
| H55 | C35 | C36 | O6 | 171.4° | 148.3° |
| H55 | C35 | C37 | C38 | 117.4° | 141.7° |
| H55 | C35 | C37 | H56 | 122.7° | 99.9° |
| H55 | C35 | C37 | H57 | 2.4° | 23.4° |
| H55 | C35 | C36 | N9 | 3.9° | 31.7° |
| H55 | C35 | N8 | C30 | 65.6° | 61.5° |
| O6 | C36 | N9 | H62 | 0.0° | 180.0° |
| O6 | C36 | N9 | H63 | 180.0° | 0.1° |
| C38 | C37 | H56 | H57 | 120.6° | 123.2° |
| C37 | C38 | C39 | H58 | 119.8° | 118.1° |
| C37 | C38 | C39 | H59 | 119.8° | 118.0° |
| C37 | C38 | H58 | H59 | 120.5° | 123.9° |
| C37 | C38 | C39 | H60 | 115.9° | 81.6° |
| C37 | C38 | C39 | H61 | 122.3° | 156.1° |
| H56 | C37 | C38 | C39 | 122.1° | 154.1° |
| H56 | C37 | C38 | H58 | 2.2° | 35.8° |
| H56 | C37 | C38 | H59 | 118.1° | 88.0° |
| H57 | C37 | C38 | C39 | 117.5° | 82.7° |
| H57 | C37 | C38 | H58 | 122.7° | 159.1° |
| H57 | C37 | C38 | H59 | 2.3° | 35.2° |
| C39 | C38 | H58 | H59 | 120.5° | 123.9° |
| C38 | C39 | H60 | H61 | 122.6° | 122.4° |
| C38 | C39 | N8 | C30 | 176.6° | 155.8° |
| H58 | C38 | C39 | H60 | 124.2° | 160.3° |
| H58 | C38 | C39 | H61 | 2.4° | 38.0° |
| H59 | C38 | C39 | H60 | 3.9° | 36.4° |
| H59 | C38 | C39 | H61 | 117.9° | 85.9° |
| H60 | C39 | N8 | C30 | 64.4° | 85.2° |
| H61 | C39 | N8 | C30 | 57.5° | 37.1° |
| H62 | N9 | H63 | C36 | 180.0° | 179.9° |
