PRD_002367
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N2 | sing | 1.33Å | 1.39Å | Aromatic |
| C5 | C2 | doub | 1.36Å | 1.40Å | Aromatic |
| N2 | C4 | doub | 1.32Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.36Å | 1.38Å | Aromatic |
| C4 | N1 | sing | 1.37Å | 1.41Å | Aromatic |
| C4 | C1 | sing | 1.47Å | 1.53Å | |
| N1 | C3 | sing | 1.46Å | 1.41Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N3 | C6 | sing | 1.41Å | 1.44Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.40Å | 1.44Å | Aromatic |
| C6 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | N4 | sing | 1.36Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | N4 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C11 | sing | 1.47Å | 1.54Å | |
| N4 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | O2 | doub | 1.22Å | 1.22Å | |
| N5 | C12 | sing | 1.47Å | 1.46Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | O3 | doub | 1.21Å | 1.22Å | |
| N6 | C15 | sing | 1.40Å | 1.44Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| C15 | N7 | sing | 1.33Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.40Å | Aromatic |
| N7 | C17 | doub | 1.32Å | 1.38Å | Aromatic |
| C16 | N8 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | N8 | sing | 1.37Å | 1.42Å | Aromatic |
| C17 | C19 | sing | 1.47Å | 1.52Å | |
| N8 | C18 | sing | 1.47Å | 1.41Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | O4 | doub | 1.22Å | 1.23Å | |
| N9 | C20 | sing | 1.41Å | 1.48Å | |
| N9 | H22 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.40Å | 1.43Å | Aromatic |
| C20 | C22 | doub | 1.36Å | 1.42Å | Aromatic |
| C21 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | N10 | sing | 1.36Å | 1.41Å | Aromatic |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | N10 | sing | 1.38Å | 1.44Å | Aromatic |
| C23 | C25 | sing | 1.47Å | 1.56Å | |
| N10 | C24 | sing | 1.47Å | 1.46Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | O5 | doub | 1.22Å | 1.22Å | |
| N11 | C26 | sing | 1.46Å | 1.45Å | |
| N11 | H28 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.51Å | 1.55Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | O6 | doub | 1.21Å | 1.22Å | |
| N12 | C29 | sing | 1.40Å | 1.40Å | |
| N12 | H33 | sing | 0.97Å | 1.00Å | |
| C29 | N13 | sing | 1.33Å | 1.41Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.41Å | Aromatic |
| N13 | C31 | doub | 1.32Å | 1.39Å | Aromatic |
| C30 | N14 | sing | 1.36Å | 1.40Å | Aromatic |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | N14 | sing | 1.37Å | 1.42Å | Aromatic |
| C31 | C33 | sing | 1.47Å | 1.55Å | |
| N14 | C32 | sing | 1.47Å | 1.45Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | O7 | doub | 1.22Å | 1.20Å | |
| N15 | C34 | sing | 1.47Å | 1.47Å | |
| N15 | H38 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | O8 | doub | 1.21Å | 1.23Å | |
| N16 | C37 | sing | 1.47Å | 1.45Å | |
| N16 | H43 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.57Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C39 | N17 | sing | 1.47Å | 1.45Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| N17 | C40 | sing | 1.47Å | 1.48Å | |
| N17 | C41 | sing | 1.47Å | 1.43Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| C41 | H53 | sing | 1.09Å | 1.10Å | |
| C41 | H54 | sing | 1.09Å | 1.10Å | |
| C41 | H55 | sing | 1.09Å | 1.10Å | |
| C1 | N3 | sing | 1.35Å | 1.46Å | |
| C11 | N5 | sing | 1.35Å | 1.44Å | |
| C14 | N6 | sing | 1.35Å | 1.45Å | |
| C19 | N9 | sing | 1.35Å | 1.45Å | |
| C25 | N11 | sing | 1.35Å | 1.45Å | |
| C28 | N12 | sing | 1.35Å | 1.44Å | |
| C33 | N15 | sing | 1.35Å | 1.44Å | |
| C36 | N16 | sing | 1.35Å | 1.49Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C5 | C2 | 107.7° | 108.4° |
| C5 | N2 | C4 | 108.3° | 109.2° |
| N2 | C5 | H5 | 126.1° | 125.8° |
| C5 | C2 | N1 | 108.0° | 107.0° |
| C5 | C2 | H1 | 126.0° | 126.5° |
| C2 | C5 | H5 | 126.2° | 125.8° |
| N2 | C4 | N1 | 107.8° | 108.3° |
| N2 | C4 | C1 | 125.7° | 125.9° |
| C2 | N1 | C4 | 108.0° | 107.1° |
| C2 | N1 | C3 | 125.6° | 126.5° |
| N1 | C2 | H1 | 126.0° | 126.5° |
| N1 | C4 | C1 | 126.5° | 125.9° |
| C4 | N1 | C3 | 126.3° | 126.5° |
| C4 | C1 | O1 | 120.2° | 120.0° |
| C4 | C1 | N3 | 119.7° | 120.0° |
| N1 | C3 | H2 | 109.5° | 109.5° |
| N1 | C3 | H3 | 109.5° | 109.5° |
| N1 | C3 | H4 | 109.5° | 109.5° |
| O1 | C1 | N3 | 120.1° | 120.1° |
| H2 | C3 | H3 | 109.5° | 109.4° |
| H2 | C3 | H4 | 109.5° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C6 | N3 | H6 | 119.8° | 120.0° |
| N3 | C6 | C7 | 125.5° | 126.1° |
| N3 | C6 | C8 | 126.9° | 126.1° |
| C6 | N3 | C1 | 120.4° | 120.0° |
| H6 | N3 | C1 | 119.8° | 120.0° |
| C7 | C6 | C8 | 107.5° | 107.7° |
| C6 | C7 | C9 | 108.6° | 107.1° |
| C6 | C7 | H7 | 125.7° | 126.5° |
| C6 | C8 | N4 | 107.9° | 108.8° |
| C6 | C8 | H8 | 126.0° | 125.6° |
| C9 | C7 | H7 | 125.7° | 126.4° |
| C7 | C9 | N4 | 107.1° | 107.6° |
| C7 | C9 | C11 | 126.8° | 126.2° |
| N4 | C8 | H8 | 126.1° | 125.6° |
| C8 | N4 | C9 | 108.5° | 108.7° |
| C8 | N4 | C10 | 125.4° | 125.6° |
| N4 | C9 | C11 | 126.0° | 126.2° |
| C9 | N4 | C10 | 125.9° | 125.6° |
| C9 | C11 | O2 | 117.0° | 120.0° |
| C9 | C11 | N5 | 119.3° | 120.0° |
| N4 | C10 | H9 | 109.5° | 109.5° |
| N4 | C10 | H10 | 109.5° | 109.5° |
| N4 | C10 | H11 | 109.4° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H9 | C10 | H11 | 109.4° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| O2 | C11 | N5 | 122.6° | 120.0° |
| C12 | N5 | H12 | 117.8° | 120.0° |
| N5 | C12 | C13 | 105.7° | 109.5° |
| N5 | C12 | H13 | 110.4° | 109.4° |
| N5 | C12 | H14 | 110.4° | 109.5° |
| C12 | N5 | C11 | 124.3° | 120.0° |
| H12 | N5 | C11 | 117.9° | 120.0° |
| C13 | C12 | H13 | 110.4° | 109.5° |
| C13 | C12 | H14 | 110.4° | 109.5° |
| C12 | C13 | C14 | 113.7° | 109.5° |
| C12 | C13 | H15 | 108.4° | 109.4° |
| C12 | C13 | H16 | 108.4° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| C14 | C13 | H15 | 108.4° | 109.5° |
| C14 | C13 | H16 | 108.4° | 109.5° |
| C13 | C14 | O3 | 119.6° | 120.0° |
| C13 | C14 | N6 | 121.0° | 120.1° |
| H15 | C13 | H16 | 109.5° | 109.4° |
| O3 | C14 | N6 | 119.4° | 119.9° |
| C15 | N6 | H17 | 119.5° | 120.0° |
| N6 | C15 | N7 | 125.6° | 125.9° |
| N6 | C15 | C16 | 127.1° | 125.9° |
| C15 | N6 | C14 | 121.0° | 120.0° |
| H17 | N6 | C14 | 119.5° | 120.0° |
| N7 | C15 | C16 | 107.3° | 108.2° |
| C15 | N7 | C17 | 109.3° | 109.2° |
| C15 | C16 | N8 | 108.1° | 107.0° |
| C15 | C16 | H18 | 126.0° | 126.5° |
| N7 | C17 | N8 | 106.8° | 108.4° |
| N7 | C17 | C19 | 122.4° | 125.8° |
| N8 | C16 | H18 | 125.9° | 126.5° |
| C16 | N8 | C17 | 108.5° | 107.1° |
| C16 | N8 | C18 | 124.6° | 126.4° |
| N8 | C17 | C19 | 130.8° | 125.8° |
| C17 | N8 | C18 | 126.9° | 126.5° |
| C17 | C19 | O4 | 123.8° | 120.0° |
| C17 | C19 | N9 | 113.8° | 120.0° |
| N8 | C18 | H19 | 109.5° | 109.5° |
| N8 | C18 | H20 | 109.4° | 109.5° |
| N8 | C18 | H21 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H21 | 109.5° | 109.4° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| O4 | C19 | N9 | 122.4° | 119.9° |
| C20 | N9 | H22 | 115.5° | 119.9° |
| N9 | C20 | C21 | 125.4° | 126.1° |
| N9 | C20 | C22 | 126.6° | 126.2° |
| C20 | N9 | C19 | 129.0° | 120.1° |
| H22 | N9 | C19 | 115.5° | 120.0° |
| C21 | C20 | C22 | 108.0° | 107.8° |
| C20 | C21 | C23 | 108.0° | 107.1° |
| C20 | C21 | H23 | 126.0° | 126.5° |
| C20 | C22 | N10 | 108.0° | 108.7° |
| C20 | C22 | H24 | 126.0° | 125.6° |
| C23 | C21 | H23 | 126.0° | 126.4° |
| C21 | C23 | N10 | 107.9° | 107.7° |
| C21 | C23 | C25 | 125.5° | 126.2° |
| N10 | C22 | H24 | 126.0° | 125.7° |
| C22 | N10 | C23 | 108.0° | 108.8° |
| C22 | N10 | C24 | 126.2° | 125.6° |
| N10 | C23 | C25 | 126.6° | 126.2° |
| C23 | N10 | C24 | 125.8° | 125.6° |
| C23 | C25 | O5 | 114.8° | 120.0° |
| C23 | C25 | N11 | 119.9° | 120.0° |
| N10 | C24 | H25 | 109.5° | 109.4° |
| N10 | C24 | H26 | 109.5° | 109.5° |
| N10 | C24 | H27 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H25 | C24 | H27 | 109.4° | 109.4° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| O5 | C25 | N11 | 123.3° | 119.9° |
| C26 | N11 | H28 | 117.7° | 120.0° |
| N11 | C26 | C27 | 106.5° | 109.5° |
| N11 | C26 | H29 | 110.2° | 109.5° |
| N11 | C26 | H30 | 110.2° | 109.5° |
| C26 | N11 | C25 | 124.6° | 120.0° |
| H28 | N11 | C25 | 117.7° | 120.0° |
| C27 | C26 | H29 | 110.2° | 109.4° |
| C27 | C26 | H30 | 110.2° | 109.4° |
| C26 | C27 | C28 | 111.0° | 109.4° |
| C26 | C27 | H31 | 109.1° | 109.5° |
| C26 | C27 | H32 | 109.1° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.5° |
| C28 | C27 | H31 | 109.1° | 109.5° |
| C28 | C27 | H32 | 109.1° | 109.5° |
| C27 | C28 | O6 | 120.5° | 120.1° |
| C27 | C28 | N12 | 119.1° | 120.0° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| O6 | C28 | N12 | 120.5° | 120.0° |
| C29 | N12 | H33 | 119.8° | 120.1° |
| N12 | C29 | N13 | 126.0° | 125.9° |
| N12 | C29 | C30 | 126.1° | 125.9° |
| C29 | N12 | C28 | 120.3° | 120.0° |
| H33 | N12 | C28 | 119.8° | 120.0° |
| N13 | C29 | C30 | 107.8° | 108.2° |
| C29 | N13 | C31 | 108.2° | 109.2° |
| C29 | C30 | N14 | 108.1° | 106.9° |
| C29 | C30 | H34 | 126.0° | 126.5° |
| N13 | C31 | N14 | 108.0° | 108.5° |
| N13 | C31 | C33 | 125.5° | 125.8° |
| N14 | C30 | H34 | 125.9° | 126.5° |
| C30 | N14 | C31 | 107.4° | 107.1° |
| C30 | N14 | C32 | 124.2° | 126.4° |
| N14 | C31 | C33 | 126.5° | 125.8° |
| C31 | N14 | C32 | 128.3° | 126.4° |
| C31 | C33 | O7 | 116.2° | 120.1° |
| C31 | C33 | N15 | 121.1° | 120.0° |
| N14 | C32 | H35 | 109.5° | 109.4° |
| N14 | C32 | H36 | 109.5° | 109.5° |
| N14 | C32 | H37 | 109.5° | 109.4° |
| H35 | C32 | H36 | 109.5° | 109.5° |
| H35 | C32 | H37 | 109.5° | 109.5° |
| H36 | C32 | H37 | 109.4° | 109.5° |
| O7 | C33 | N15 | 121.5° | 119.9° |
| C34 | N15 | H38 | 119.8° | 120.0° |
| N15 | C34 | C35 | 107.6° | 109.4° |
| N15 | C34 | H39 | 109.9° | 109.5° |
| N15 | C34 | H40 | 110.0° | 109.4° |
| C34 | N15 | C33 | 120.4° | 120.0° |
| H38 | N15 | C33 | 119.8° | 120.0° |
| C35 | C34 | H39 | 109.9° | 109.5° |
| C35 | C34 | H40 | 109.9° | 109.5° |
| C34 | C35 | C36 | 111.3° | 109.4° |
| C34 | C35 | H41 | 109.0° | 109.5° |
| C34 | C35 | H42 | 109.0° | 109.5° |
| H39 | C34 | H40 | 109.4° | 109.5° |
| C36 | C35 | H41 | 109.0° | 109.5° |
| C36 | C35 | H42 | 109.0° | 109.5° |
| C35 | C36 | O8 | 118.6° | 120.0° |
| C35 | C36 | N16 | 121.6° | 119.9° |
| H41 | C35 | H42 | 109.5° | 109.5° |
| O8 | C36 | N16 | 119.6° | 120.0° |
| C37 | N16 | H43 | 120.3° | 120.0° |
| N16 | C37 | C38 | 109.8° | 109.5° |
| N16 | C37 | H44 | 109.4° | 109.5° |
| N16 | C37 | H45 | 109.4° | 109.5° |
| C37 | N16 | C36 | 119.4° | 120.0° |
| H43 | N16 | C36 | 120.3° | 120.0° |
| C38 | C37 | H44 | 109.4° | 109.5° |
| C38 | C37 | H45 | 109.4° | 109.4° |
| C37 | C38 | C39 | 109.8° | 109.5° |
| C37 | C38 | H46 | 109.4° | 109.5° |
| C37 | C38 | H47 | 109.4° | 109.5° |
| H44 | C37 | H45 | 109.4° | 109.5° |
| C39 | C38 | H46 | 109.4° | 109.5° |
| C39 | C38 | H47 | 109.4° | 109.5° |
| C38 | C39 | N17 | 109.3° | 109.5° |
| C38 | C39 | H48 | 109.5° | 109.4° |
| C38 | C39 | H49 | 109.5° | 109.5° |
| H46 | C38 | H47 | 109.5° | 109.4° |
| N17 | C39 | H48 | 109.5° | 109.4° |
| N17 | C39 | H49 | 109.5° | 109.5° |
| C39 | N17 | C40 | 109.4° | 111.0° |
| C39 | N17 | C41 | 109.5° | 111.0° |
| H48 | C39 | H49 | 109.5° | 109.5° |
| C40 | N17 | C41 | 110.3° | 111.0° |
| N17 | C40 | H50 | 109.5° | 109.5° |
| N17 | C40 | H51 | 109.4° | 109.5° |
| N17 | C40 | H52 | 109.5° | 109.5° |
| N17 | C41 | H53 | 109.5° | 109.5° |
| N17 | C41 | H54 | 109.4° | 109.5° |
| N17 | C41 | H55 | 109.5° | 109.4° |
| H50 | C40 | H51 | 109.4° | 109.5° |
| H50 | C40 | H52 | 109.5° | 109.4° |
| H51 | C40 | H52 | 109.5° | 109.4° |
| H53 | C41 | H54 | 109.5° | 109.5° |
| H53 | C41 | H55 | 109.5° | 109.5° |
| H54 | C41 | H55 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C5 | C2 | H5 | 180.0° | 179.6° |
| N2 | C5 | C2 | N1 | 4.0° | 0.5° |
| C5 | N2 | C4 | N1 | 2.0° | 0.3° |
| C5 | N2 | C4 | C1 | 179.1° | 179.8° |
| N2 | C5 | C2 | H1 | 176.0° | 179.9° |
| C2 | C5 | N2 | C4 | 3.7° | 0.5° |
| C5 | C2 | N1 | H1 | 180.0° | 179.7° |
| C5 | C2 | N1 | C4 | 2.8° | 0.3° |
| C5 | C2 | N1 | C3 | 179.4° | 179.7° |
| N2 | C4 | N1 | C2 | 0.5° | 0.0° |
| N2 | C4 | N1 | C1 | 178.9° | 179.9° |
| N2 | C4 | N1 | C3 | 178.3° | 180.0° |
| N2 | C4 | C1 | O1 | 168.5° | 180.0° |
| C4 | N2 | C5 | H5 | 176.3° | 179.9° |
| N2 | C4 | C1 | N3 | 11.3° | 0.2° |
| C2 | N1 | C4 | C3 | 177.8° | 180.0° |
| C2 | N1 | C4 | C1 | 178.4° | 179.9° |
| C2 | N1 | C3 | H2 | 180.0° | 90.0° |
| C2 | N1 | C3 | H3 | 60.0° | 150.0° |
| C2 | N1 | C3 | H4 | 60.0° | 29.9° |
| N1 | C2 | C5 | H5 | 176.0° | 179.9° |
| N1 | C4 | C1 | O1 | 12.9° | 0.0° |
| C4 | N1 | C2 | H1 | 177.2° | 180.0° |
| C4 | N1 | C3 | H2 | 2.5° | 90.0° |
| C4 | N1 | C3 | H3 | 122.6° | 30.0° |
| C4 | N1 | C3 | H4 | 117.5° | 150.0° |
| N1 | C4 | C1 | N3 | 167.4° | 179.7° |
| C1 | C4 | N1 | C3 | 0.5° | 0.0° |
| C4 | C1 | O1 | N3 | 179.7° | 179.7° |
| C4 | C1 | N3 | C6 | 179.4° | 179.7° |
| C4 | C1 | N3 | H6 | 0.6° | 0.3° |
| C3 | N1 | C2 | H1 | 0.6° | 0.1° |
| N1 | C3 | H2 | H3 | 120.0° | 120.0° |
| N1 | C3 | H2 | H4 | 120.0° | 120.0° |
| N1 | C3 | H3 | H4 | 120.0° | 120.1° |
| O1 | C1 | N3 | C6 | 0.3° | 0.0° |
| O1 | C1 | N3 | H6 | 179.7° | 180.0° |
| H1 | C2 | C5 | H5 | 4.0° | 0.3° |
| H2 | C3 | H3 | H4 | 120.0° | 119.9° |
| C6 | N3 | H6 | C1 | 180.0° | 180.0° |
| N3 | C6 | C7 | C8 | 176.7° | 179.7° |
| N3 | C6 | C7 | C9 | 178.4° | 180.0° |
| N3 | C6 | C7 | H7 | 1.6° | 0.1° |
| N3 | C6 | C8 | N4 | 175.2° | 180.0° |
| N3 | C6 | C8 | H8 | 4.8° | 0.1° |
| H6 | N3 | C6 | C7 | 60.8° | 179.9° |
| H6 | N3 | C6 | C8 | 115.3° | 0.3° |
| C6 | C7 | C9 | H7 | 180.0° | 179.9° |
| C7 | C6 | C8 | N4 | 1.4° | 0.3° |
| C7 | C6 | C8 | H8 | 178.6° | 179.7° |
| C6 | C7 | C9 | N4 | 4.1° | 0.3° |
| C6 | C7 | C9 | C11 | 177.4° | 180.0° |
| C7 | C6 | N3 | C1 | 119.2° | 0.1° |
| C8 | C6 | C7 | C9 | 1.7° | 0.4° |
| C8 | C6 | C7 | H7 | 178.3° | 179.8° |
| C6 | C8 | N4 | H8 | 180.0° | 179.9° |
| C6 | C8 | N4 | C9 | 4.0° | 0.2° |
| C6 | C8 | N4 | C10 | 179.9° | 179.9° |
| C8 | C6 | N3 | C1 | 64.7° | 179.7° |
| C7 | C9 | N4 | C8 | 5.0° | 0.1° |
| C7 | C9 | N4 | C11 | 178.5° | 179.8° |
| C7 | C9 | N4 | C10 | 179.1° | 179.8° |
| C7 | C9 | C11 | O2 | 134.7° | 174.9° |
| C7 | C9 | C11 | N5 | 33.7° | 5.0° |
| H7 | C7 | C9 | N4 | 175.9° | 179.9° |
| H7 | C7 | C9 | C11 | 2.6° | 0.1° |
| C8 | N4 | C9 | C10 | 175.9° | 179.9° |
| C8 | N4 | C9 | C11 | 176.5° | 179.8° |
| C8 | N4 | C10 | H9 | 180.0° | 95.6° |
| C8 | N4 | C10 | H10 | 60.0° | 144.4° |
| C8 | N4 | C10 | H11 | 60.0° | 24.5° |
| H8 | C8 | N4 | C9 | 176.0° | 179.9° |
| H8 | C8 | N4 | C10 | 0.1° | 0.0° |
| C9 | N4 | C10 | H9 | 4.8° | 84.6° |
| C9 | N4 | C10 | H10 | 115.2° | 35.5° |
| C9 | N4 | C10 | H11 | 124.8° | 155.4° |
| N4 | C9 | C11 | O2 | 47.1° | 4.8° |
| N4 | C9 | C11 | N5 | 144.6° | 175.3° |
| C11 | C9 | N4 | C10 | 0.6° | 0.1° |
| C9 | C11 | O2 | N5 | 168.0° | 179.9° |
| C9 | C11 | N5 | C12 | 153.5° | 174.9° |
| C9 | C11 | N5 | H12 | 26.5° | 5.0° |
| N4 | C10 | H9 | H10 | 120.0° | 120.0° |
| N4 | C10 | H9 | H11 | 120.0° | 120.0° |
| N4 | C10 | H10 | H11 | 120.0° | 120.0° |
| H9 | C10 | H10 | H11 | 120.0° | 120.0° |
| O2 | C11 | N5 | C12 | 14.2° | 5.2° |
| O2 | C11 | N5 | H12 | 165.8° | 174.9° |
| C12 | N5 | H12 | C11 | 180.0° | 179.9° |
| N5 | C12 | C13 | H13 | 119.4° | 120.0° |
| N5 | C12 | C13 | H14 | 119.4° | 120.1° |
| N5 | C12 | H13 | H14 | 121.7° | 120.0° |
| N5 | C12 | C13 | C14 | 155.9° | 180.0° |
| N5 | C12 | C13 | H15 | 35.2° | 60.0° |
| N5 | C12 | C13 | H16 | 83.5° | 59.9° |
| H12 | N5 | C12 | C13 | 23.8° | 0.1° |
| H12 | N5 | C12 | H13 | 95.6° | 120.1° |
| H12 | N5 | C12 | H14 | 143.2° | 119.9° |
| C13 | C12 | H13 | H14 | 121.8° | 120.0° |
| C12 | C13 | C14 | H15 | 120.6° | 120.0° |
| C12 | C13 | C14 | H16 | 120.6° | 120.1° |
| C12 | C13 | H15 | H16 | 118.0° | 120.0° |
| C12 | C13 | C14 | O3 | 106.9° | 0.1° |
| C13 | C12 | N5 | C11 | 156.2° | 180.0° |
| C12 | C13 | C14 | N6 | 72.9° | 180.0° |
| H13 | C12 | C13 | C14 | 84.7° | 60.1° |
| H13 | C12 | C13 | H15 | 154.6° | 180.0° |
| H13 | C12 | C13 | H16 | 35.9° | 60.0° |
| H13 | C12 | N5 | C11 | 84.4° | 60.0° |
| H14 | C12 | C13 | C14 | 36.5° | 59.9° |
| H14 | C12 | C13 | H15 | 84.1° | 60.1° |
| H14 | C12 | C13 | H16 | 157.2° | 180.0° |
| H14 | C12 | N5 | C11 | 36.8° | 60.0° |
| C14 | C13 | H15 | H16 | 118.1° | 120.0° |
| C13 | C14 | O3 | N6 | 179.9° | 179.9° |
| C13 | C14 | N6 | C15 | 179.7° | 180.0° |
| C13 | C14 | N6 | H17 | 0.3° | 0.0° |
| H15 | C13 | C14 | O3 | 13.7° | 120.1° |
| H15 | C13 | C14 | N6 | 166.5° | 60.0° |
| H16 | C13 | C14 | O3 | 132.4° | 120.0° |
| H16 | C13 | C14 | N6 | 47.7° | 59.9° |
| O3 | C14 | N6 | C15 | 0.1° | 0.1° |
| O3 | C14 | N6 | H17 | 179.9° | 179.9° |
| C15 | N6 | H17 | C14 | 180.0° | 180.0° |
| N6 | C15 | N7 | C16 | 176.7° | 179.7° |
| N6 | C15 | N7 | C17 | 175.5° | 180.0° |
| N6 | C15 | C16 | N8 | 174.7° | 180.0° |
| N6 | C15 | C16 | H18 | 5.3° | 0.1° |
| H17 | N6 | C15 | N7 | 47.8° | 0.1° |
| H17 | N6 | C15 | C16 | 128.3° | 179.7° |
| N7 | C15 | C16 | N8 | 1.9° | 0.3° |
| N7 | C15 | C16 | H18 | 178.1° | 179.7° |
| C15 | N7 | C17 | N8 | 0.1° | 0.2° |
| C15 | N7 | C17 | C19 | 178.4° | 180.0° |
| N7 | C15 | N6 | C14 | 132.2° | 180.0° |
| C16 | C15 | N7 | C17 | 1.3° | 0.3° |
| C15 | C16 | N8 | H18 | 180.0° | 179.9° |
| C15 | C16 | N8 | C17 | 1.9° | 0.2° |
| C15 | C16 | N8 | C18 | 177.7° | 180.0° |
| C16 | C15 | N6 | C14 | 51.7° | 0.4° |
| N7 | C17 | N8 | C16 | 1.1° | 0.0° |
| N7 | C17 | N8 | C19 | 178.3° | 179.8° |
| N7 | C17 | N8 | C18 | 178.5° | 179.8° |
| N7 | C17 | C19 | O4 | 166.7° | 180.0° |
| N7 | C17 | C19 | N9 | 12.6° | 0.0° |
| C16 | N8 | C17 | C18 | 179.6° | 179.8° |
| C16 | N8 | C17 | C19 | 179.4° | 179.8° |
| C16 | N8 | C18 | H19 | 180.0° | 90.0° |
| C16 | N8 | C18 | H20 | 60.0° | 149.9° |
| C16 | N8 | C18 | H21 | 60.0° | 30.0° |
| H18 | C16 | N8 | C17 | 178.1° | 179.9° |
| H18 | C16 | N8 | C18 | 2.3° | 0.0° |
| C17 | N8 | C18 | H19 | 0.5° | 90.2° |
| C17 | N8 | C18 | H20 | 119.5° | 29.9° |
| C17 | N8 | C18 | H21 | 120.5° | 149.8° |
| N8 | C17 | C19 | O4 | 15.3° | 0.2° |
| N8 | C17 | C19 | N9 | 165.5° | 179.8° |
| C19 | C17 | N8 | C18 | 0.2° | 0.0° |
| C17 | C19 | O4 | N9 | 179.2° | 180.0° |
| C17 | C19 | N9 | C20 | 179.0° | 180.0° |
| C17 | C19 | N9 | H22 | 1.1° | 0.0° |
| N8 | C18 | H19 | H20 | 120.0° | 120.0° |
| N8 | C18 | H19 | H21 | 120.0° | 120.0° |
| N8 | C18 | H20 | H21 | 120.0° | 120.0° |
| H19 | C18 | H20 | H21 | 120.0° | 120.0° |
| O4 | C19 | N9 | C20 | 0.3° | 0.0° |
| O4 | C19 | N9 | H22 | 179.7° | 180.0° |
| C20 | N9 | H22 | C19 | 180.0° | 180.0° |
| N9 | C20 | C21 | C22 | 179.6° | 179.7° |
| N9 | C20 | C21 | C23 | 178.1° | 180.0° |
| N9 | C20 | C21 | H23 | 1.8° | 0.0° |
| N9 | C20 | C22 | N10 | 176.4° | 180.0° |
| N9 | C20 | C22 | H24 | 3.6° | 0.0° |
| H22 | N9 | C20 | C21 | 64.4° | 180.0° |
| H22 | N9 | C20 | C22 | 115.1° | 0.3° |
| C20 | C21 | C23 | H23 | 180.0° | 180.0° |
| C21 | C20 | C22 | N10 | 3.1° | 0.3° |
| C21 | C20 | C22 | H24 | 176.9° | 179.7° |
| C20 | C21 | C23 | N10 | 0.8° | 0.2° |
| C20 | C21 | C23 | C25 | 179.5° | 180.0° |
| C21 | C20 | N9 | C19 | 115.6° | 0.1° |
| C22 | C20 | C21 | C23 | 1.4° | 0.3° |
| C22 | C20 | C21 | H23 | 178.6° | 179.7° |
| C20 | C22 | N10 | H24 | 180.0° | 179.9° |
| C20 | C22 | N10 | C23 | 3.6° | 0.1° |
| C20 | C22 | N10 | C24 | 175.9° | 179.9° |
| C22 | C20 | N9 | C19 | 64.9° | 179.7° |
| C21 | C23 | N10 | C22 | 2.7° | 0.0° |
| C21 | C23 | N10 | C25 | 179.7° | 179.8° |
| C21 | C23 | N10 | C24 | 176.8° | 179.8° |
| C21 | C23 | C25 | O5 | 144.8° | 175.0° |
| C21 | C23 | C25 | N11 | 19.5° | 5.0° |
| H23 | C21 | C23 | N10 | 179.2° | 179.8° |
| H23 | C21 | C23 | C25 | 0.5° | 0.0° |
| C22 | N10 | C23 | C24 | 179.4° | 179.8° |
| C22 | N10 | C23 | C25 | 177.6° | 179.8° |
| C22 | N10 | C24 | H25 | 180.0° | 95.6° |
| C22 | N10 | C24 | H26 | 60.0° | 144.4° |
| C22 | N10 | C24 | H27 | 60.0° | 24.4° |
| H24 | C22 | N10 | C23 | 176.4° | 179.8° |
| H24 | C22 | N10 | C24 | 4.1° | 0.0° |
| C23 | N10 | C24 | H25 | 0.6° | 84.6° |
| C23 | N10 | C24 | H26 | 120.7° | 35.3° |
| C23 | N10 | C24 | H27 | 119.3° | 155.4° |
| N10 | C23 | C25 | O5 | 35.5° | 4.8° |
| N10 | C23 | C25 | N11 | 160.1° | 175.2° |
| C25 | C23 | N10 | C24 | 3.0° | 0.0° |
| C23 | C25 | O5 | N11 | 163.8° | 180.0° |
| C23 | C25 | N11 | C26 | 140.1° | 174.9° |
| C23 | C25 | N11 | H28 | 39.8° | 5.1° |
| N10 | C24 | H25 | H26 | 120.0° | 120.0° |
| N10 | C24 | H25 | H27 | 120.0° | 120.0° |
| N10 | C24 | H26 | H27 | 120.0° | 120.1° |
| H25 | C24 | H26 | H27 | 120.0° | 120.0° |
| O5 | C25 | N11 | C26 | 22.8° | 5.1° |
| O5 | C25 | N11 | H28 | 157.2° | 174.9° |
| C26 | N11 | H28 | C25 | 180.0° | 180.0° |
| N11 | C26 | C27 | H29 | 119.5° | 120.0° |
| N11 | C26 | C27 | H30 | 119.5° | 120.0° |
| N11 | C26 | H29 | H30 | 121.4° | 120.1° |
| N11 | C26 | C27 | C28 | 161.7° | 180.0° |
| N11 | C26 | C27 | H31 | 41.5° | 60.0° |
| N11 | C26 | C27 | H32 | 78.1° | 60.1° |
| H28 | N11 | C26 | C27 | 27.2° | 0.0° |
| H28 | N11 | C26 | H29 | 92.3° | 120.0° |
| H28 | N11 | C26 | H30 | 146.7° | 120.0° |
| C27 | C26 | H29 | H30 | 121.4° | 119.9° |
| C26 | C27 | C28 | H31 | 120.2° | 120.0° |
| C26 | C27 | C28 | H32 | 120.2° | 120.0° |
| C26 | C27 | H31 | H32 | 119.3° | 120.0° |
| C26 | C27 | C28 | O6 | 93.0° | 0.0° |
| C27 | C26 | N11 | C25 | 152.8° | 180.0° |
| C26 | C27 | C28 | N12 | 87.3° | 180.0° |
| H29 | C26 | C27 | C28 | 78.7° | 60.0° |
| H29 | C26 | C27 | H31 | 161.0° | 180.0° |
| H29 | C26 | C27 | H32 | 41.5° | 60.0° |
| H29 | C26 | N11 | C25 | 87.7° | 60.0° |
| H30 | C26 | C27 | C28 | 42.2° | 60.0° |
| H30 | C26 | C27 | H31 | 78.1° | 60.0° |
| H30 | C26 | C27 | H32 | 162.4° | 180.0° |
| H30 | C26 | N11 | C25 | 33.3° | 60.0° |
| C28 | C27 | H31 | H32 | 119.3° | 120.0° |
| C27 | C28 | O6 | N12 | 179.6° | 180.0° |
| C27 | C28 | N12 | C29 | 179.1° | 180.0° |
| C27 | C28 | N12 | H33 | 0.9° | 0.0° |
| H31 | C27 | C28 | O6 | 27.2° | 119.9° |
| H31 | C27 | C28 | N12 | 152.4° | 60.1° |
| H32 | C27 | C28 | O6 | 146.7° | 120.0° |
| H32 | C27 | C28 | N12 | 32.9° | 60.0° |
| O6 | C28 | N12 | C29 | 0.5° | 0.0° |
| O6 | C28 | N12 | H33 | 179.5° | 180.0° |
| C29 | N12 | H33 | C28 | 180.0° | 180.0° |
| N12 | C29 | N13 | C30 | 179.3° | 179.8° |
| N12 | C29 | N13 | C31 | 179.7° | 180.0° |
| N12 | C29 | C30 | N14 | 176.0° | 180.0° |
| N12 | C29 | C30 | H34 | 4.0° | 0.0° |
| H33 | N12 | C29 | N13 | 30.7° | 0.0° |
| H33 | N12 | C29 | C30 | 148.4° | 179.7° |
| N13 | C29 | C30 | N14 | 4.7° | 0.2° |
| N13 | C29 | C30 | H34 | 175.3° | 179.8° |
| C29 | N13 | C31 | N14 | 3.9° | 0.1° |
| C29 | N13 | C31 | C33 | 176.0° | 180.0° |
| N13 | C29 | N12 | C28 | 149.2° | 180.0° |
| C30 | C29 | N13 | C31 | 0.5° | 0.2° |
| C29 | C30 | N14 | H34 | 180.0° | 180.0° |
| C29 | C30 | N14 | C31 | 7.1° | 0.2° |
| C29 | C30 | N14 | C32 | 177.2° | 180.0° |
| C30 | C29 | N12 | C28 | 31.6° | 0.3° |
| N13 | C31 | N14 | C30 | 6.8° | 0.0° |
| N13 | C31 | N14 | C33 | 179.9° | 179.9° |
| N13 | C31 | N14 | C32 | 177.7° | 179.8° |
| N13 | C31 | C33 | O7 | 104.1° | 179.9° |
| N13 | C31 | C33 | N15 | 87.9° | 0.1° |
| C30 | N14 | C31 | C32 | 175.5° | 179.8° |
| C30 | N14 | C31 | C33 | 173.1° | 179.9° |
| C30 | N14 | C32 | H35 | 180.0° | 90.0° |
| C30 | N14 | C32 | H36 | 60.0° | 150.0° |
| C30 | N14 | C32 | H37 | 60.0° | 29.9° |
| H34 | C30 | N14 | C31 | 172.9° | 179.8° |
| H34 | C30 | N14 | C32 | 2.8° | 0.0° |
| C31 | N14 | C32 | H35 | 5.2° | 90.2° |
| C31 | N14 | C32 | H36 | 125.2° | 29.8° |
| C31 | N14 | C32 | H37 | 114.8° | 149.8° |
| N14 | C31 | C33 | O7 | 75.8° | 0.2° |
| N14 | C31 | C33 | N15 | 92.3° | 179.8° |
| C33 | C31 | N14 | C32 | 2.4° | 0.1° |
| C31 | C33 | O7 | N15 | 168.0° | 179.9° |
| C31 | C33 | N15 | C34 | 158.2° | 180.0° |
| C31 | C33 | N15 | H38 | 21.8° | 0.1° |
| N14 | C32 | H35 | H36 | 120.0° | 120.0° |
| N14 | C32 | H35 | H37 | 120.0° | 119.9° |
| N14 | C32 | H36 | H37 | 120.0° | 120.0° |
| H35 | C32 | H36 | H37 | 120.0° | 120.0° |
| O7 | C33 | N15 | C34 | 9.2° | 0.0° |
| O7 | C33 | N15 | H38 | 170.8° | 180.0° |
| C34 | N15 | H38 | C33 | 180.0° | 180.0° |
| N15 | C34 | C35 | H39 | 119.7° | 120.0° |
| N15 | C34 | C35 | H40 | 119.7° | 119.9° |
| N15 | C34 | H39 | H40 | 120.9° | 120.0° |
| N15 | C34 | C35 | C36 | 127.0° | 180.0° |
| N15 | C34 | C35 | H41 | 6.7° | 60.0° |
| N15 | C34 | C35 | H42 | 112.7° | 60.0° |
| H38 | N15 | C34 | C35 | 16.2° | 0.0° |
| H38 | N15 | C34 | H39 | 103.5° | 120.0° |
| H38 | N15 | C34 | H40 | 135.9° | 119.9° |
| C35 | C34 | H39 | H40 | 120.8° | 120.0° |
| C34 | C35 | C36 | H41 | 120.3° | 120.0° |
| C34 | C35 | C36 | H42 | 120.3° | 120.0° |
| C34 | C35 | H41 | H42 | 119.1° | 120.0° |
| C34 | C35 | C36 | O8 | 156.2° | 0.0° |
| C35 | C34 | N15 | C33 | 163.8° | 180.0° |
| C34 | C35 | C36 | N16 | 28.3° | 180.0° |
| H39 | C34 | C35 | C36 | 113.3° | 60.0° |
| H39 | C34 | C35 | H41 | 126.5° | 180.0° |
| H39 | C34 | C35 | H42 | 7.0° | 59.9° |
| H39 | C34 | N15 | C33 | 76.5° | 60.0° |
| H40 | C34 | C35 | C36 | 7.3° | 60.1° |
| H40 | C34 | C35 | H41 | 113.0° | 59.9° |
| H40 | C34 | C35 | H42 | 127.6° | 180.0° |
| H40 | C34 | N15 | C33 | 44.1° | 60.0° |
| C36 | C35 | H41 | H42 | 119.2° | 120.0° |
| C35 | C36 | O8 | N16 | 175.6° | 180.0° |
| C35 | C36 | N16 | C37 | 168.7° | 180.0° |
| C35 | C36 | N16 | H43 | 11.3° | 0.0° |
| H41 | C35 | C36 | O8 | 83.5° | 120.0° |
| H41 | C35 | C36 | N16 | 92.0° | 60.0° |
| H42 | C35 | C36 | O8 | 35.9° | 120.0° |
| H42 | C35 | C36 | N16 | 148.6° | 60.1° |
| O8 | C36 | N16 | C37 | 6.8° | 0.0° |
| O8 | C36 | N16 | H43 | 173.2° | 180.0° |
| C37 | N16 | H43 | C36 | 180.0° | 180.0° |
| N16 | C37 | C38 | H44 | 120.1° | 120.0° |
| N16 | C37 | C38 | H45 | 120.0° | 120.0° |
| N16 | C37 | H44 | H45 | 119.8° | 120.0° |
| N16 | C37 | C38 | C39 | 175.3° | 180.0° |
| N16 | C37 | C38 | H46 | 55.3° | 60.0° |
| N16 | C37 | C38 | H47 | 64.6° | 60.0° |
| H43 | N16 | C37 | C38 | 136.6° | 0.0° |
| H43 | N16 | C37 | H44 | 16.5° | 120.0° |
| H43 | N16 | C37 | H45 | 103.4° | 120.0° |
| C38 | C37 | H44 | H45 | 119.8° | 120.0° |
| C37 | C38 | C39 | H46 | 120.1° | 120.0° |
| C37 | C38 | C39 | H47 | 120.0° | 120.0° |
| C37 | C38 | H46 | H47 | 119.8° | 120.0° |
| C37 | C38 | C39 | N17 | 178.7° | 180.0° |
| C37 | C38 | C39 | H48 | 58.7° | 60.0° |
| C37 | C38 | C39 | H49 | 61.4° | 60.0° |
| C38 | C37 | N16 | C36 | 43.4° | 180.0° |
| H44 | C37 | C38 | C39 | 64.6° | 60.0° |
| H44 | C37 | C38 | H46 | 175.4° | 180.0° |
| H44 | C37 | C38 | H47 | 55.5° | 60.0° |
| H44 | C37 | N16 | C36 | 163.5° | 60.0° |
| H45 | C37 | C38 | C39 | 55.3° | 60.0° |
| H45 | C37 | C38 | H46 | 64.7° | 60.0° |
| H45 | C37 | C38 | H47 | 175.4° | 180.0° |
| H45 | C37 | N16 | C36 | 76.6° | 60.1° |
| C39 | C38 | H46 | H47 | 119.9° | 120.0° |
| C38 | C39 | N17 | H48 | 120.0° | 119.9° |
| C38 | C39 | N17 | H49 | 120.0° | 120.0° |
| C38 | C39 | H48 | H49 | 120.1° | 120.0° |
| C38 | C39 | N17 | C40 | 79.0° | 66.0° |
| C38 | C39 | N17 | C41 | 160.0° | 170.0° |
| H46 | C38 | C39 | N17 | 61.3° | 60.0° |
| H46 | C38 | C39 | H48 | 178.8° | 179.9° |
| H46 | C38 | C39 | H49 | 58.7° | 60.0° |
| H47 | C38 | C39 | N17 | 58.6° | 59.9° |
| H47 | C38 | C39 | H48 | 61.3° | 60.0° |
| H47 | C38 | C39 | H49 | 178.6° | 180.0° |
| N17 | C39 | H48 | H49 | 120.1° | 120.1° |
| C39 | N17 | C40 | C41 | 120.5° | 124.0° |
| C39 | N17 | C40 | H50 | 180.0° | 60.0° |
| C39 | N17 | C40 | H51 | 60.0° | 180.0° |
| C39 | N17 | C40 | H52 | 60.0° | 60.0° |
| C39 | N17 | C41 | H53 | 180.0° | 60.0° |
| C39 | N17 | C41 | H54 | 60.0° | 180.0° |
| C39 | N17 | C41 | H55 | 60.0° | 60.0° |
| H48 | C39 | N17 | C40 | 161.0° | 53.9° |
| H48 | C39 | N17 | C41 | 40.1° | 70.1° |
| H49 | C39 | N17 | C40 | 41.0° | 174.0° |
| H49 | C39 | N17 | C41 | 80.0° | 50.0° |
| N17 | C40 | H50 | H51 | 120.0° | 120.1° |
| N17 | C40 | H50 | H52 | 120.0° | 120.0° |
| N17 | C40 | H51 | H52 | 120.0° | 120.0° |
| C40 | N17 | C41 | H53 | 59.6° | 176.0° |
| C40 | N17 | C41 | H54 | 179.6° | 56.0° |
| C40 | N17 | C41 | H55 | 60.4° | 64.0° |
| C41 | N17 | C40 | H50 | 59.4° | 64.0° |
| C41 | N17 | C40 | H51 | 60.5° | 56.0° |
| C41 | N17 | C40 | H52 | 179.5° | 176.0° |
| N17 | C41 | H53 | H54 | 120.0° | 120.0° |
| N17 | C41 | H53 | H55 | 120.0° | 119.9° |
| N17 | C41 | H54 | H55 | 120.0° | 120.0° |
| H50 | C40 | H51 | H52 | 120.0° | 119.9° |
| H53 | C41 | H54 | H55 | 120.0° | 120.0° |
