PRD_001232
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 1.00Å | 1.00Å | |
| N1 | H2 | sing | 1.00Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | H3 | sing | 1.10Å | 1.10Å | |
| C1 | H4 | sing | 1.10Å | 1.10Å | |
| C2 | O1 | doub | 1.23Å | 1.23Å | |
| O2 | C7 | doub | 1.23Å | 1.23Å | |
| C7 | C3 | sing | 1.55Å | 1.55Å | |
| S2 | C5 | sing | 1.81Å | 1.81Å | |
| C5 | C4 | sing | 1.54Å | 1.54Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C4 | C3 | sing | 1.54Å | 1.54Å | |
| C3 | N2 | sing | 1.48Å | 1.48Å | |
| C6 | S1 | sing | 1.82Å | 1.82Å | |
| N2 | H5 | sing | 1.00Å | 1.00Å | |
| C3 | H6 | sing | 1.10Å | 1.10Å | |
| C4 | H7 | sing | 1.10Å | 1.10Å | |
| C4 | H8 | sing | 1.10Å | 1.10Å | |
| C5 | H9 | sing | 1.10Å | 1.10Å | |
| C6 | H10 | sing | 1.10Å | 1.10Å | |
| C6 | H11 | sing | 1.10Å | 1.10Å | |
| N3 | C8 | sing | 1.47Å | 1.47Å | |
| N3 | H12 | sing | 1.00Å | 1.00Å | |
| C8 | C9 | sing | 1.55Å | 1.55Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H13 | sing | 1.10Å | 1.10Å | |
| C9 | O3 | doub | 1.23Å | 1.23Å | |
| C10 | H14 | sing | 1.10Å | 1.10Å | |
| C10 | H15 | sing | 1.10Å | 1.10Å | |
| C10 | H16 | sing | 1.10Å | 1.10Å | |
| N4 | C11 | sing | 1.47Å | 1.47Å | |
| N4 | H17 | sing | 1.00Å | 1.00Å | |
| C11 | C12 | sing | 1.55Å | 1.55Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H18 | sing | 1.10Å | 1.10Å | |
| C12 | O4 | doub | 1.23Å | 1.23Å | |
| C13 | O5 | sing | 1.41Å | 1.41Å | |
| C13 | H19 | sing | 1.10Å | 1.10Å | |
| C13 | H20 | sing | 1.10Å | 1.10Å | |
| O5 | H21 | sing | 0.95Å | 0.95Å | |
| N5 | C14 | sing | 1.47Å | 1.47Å | |
| N5 | H22 | sing | 1.00Å | 1.00Å | |
| C14 | C15 | sing | 1.55Å | 1.55Å | |
| C14 | C16 | sing | 1.54Å | 1.54Å | |
| C14 | H23 | sing | 1.10Å | 1.10Å | |
| C15 | O6 | doub | 1.24Å | 1.24Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H24 | sing | 1.10Å | 1.10Å | |
| C16 | H25 | sing | 1.10Å | 1.10Å | |
| C17 | O7 | doub | 1.26Å | 1.26Å | |
| C17 | O8 | sing | 1.25Å | 1.25Å | |
| O8 | H26 | sing | 0.95Å | 0.95Å | |
| N6 | C18 | sing | 1.47Å | 1.47Å | |
| N6 | C22 | sing | 1.46Å | 1.46Å | |
| C18 | C19 | sing | 1.54Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H27 | sing | 1.10Å | 1.10Å | |
| C19 | O9 | doub | 1.24Å | 1.24Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H28 | sing | 1.10Å | 1.10Å | |
| C20 | H29 | sing | 1.10Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H30 | sing | 1.10Å | 1.10Å | |
| C21 | H31 | sing | 1.10Å | 1.10Å | |
| C22 | H32 | sing | 1.10Å | 1.10Å | |
| C22 | H33 | sing | 1.10Å | 1.10Å | |
| N7 | C23 | sing | 1.48Å | 1.48Å | |
| N7 | H34 | sing | 1.00Å | 1.00Å | |
| C23 | C24 | sing | 1.54Å | 1.54Å | |
| C23 | C25 | sing | 1.54Å | 1.54Å | |
| C23 | H35 | sing | 1.10Å | 1.10Å | |
| C24 | O10 | doub | 1.23Å | 1.23Å | |
| C25 | C26 | sing | 1.54Å | 1.54Å | |
| C25 | H36 | sing | 1.10Å | 1.10Å | |
| C25 | H37 | sing | 1.10Å | 1.10Å | |
| C26 | C27 | sing | 1.54Å | 1.54Å | |
| C26 | H38 | sing | 1.10Å | 1.10Å | |
| C26 | H39 | sing | 1.10Å | 1.10Å | |
| C27 | N8 | sing | 1.47Å | 1.47Å | |
| C27 | H40 | sing | 1.10Å | 1.10Å | |
| C27 | H41 | sing | 1.10Å | 1.10Å | |
| N8 | C28 | sing | 1.32Å | 1.32Å | |
| N8 | H42 | sing | 1.00Å | 1.00Å | |
| C28 | N9 | sing | 1.30Å | 1.30Å | |
| C28 | N10 | doub | 1.30Å | 1.30Å | |
| N9 | H43 | sing | 1.00Å | 1.00Å | |
| N9 | H44 | sing | 1.00Å | 1.00Å | |
| N10 | H45 | sing | 1.00Å | 1.00Å | |
| N10 | H46 | sing | 1.00Å | 1.00Å | |
| N11 | C29 | sing | 1.46Å | 1.46Å | |
| N11 | H47 | sing | 1.00Å | 1.00Å | |
| C29 | C30 | sing | 1.54Å | 1.54Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H48 | sing | 1.10Å | 1.10Å | |
| C30 | O11 | doub | 1.23Å | 1.23Å | |
| C31 | S3 | sing | 1.81Å | 1.81Å | |
| C31 | H49 | sing | 1.10Å | 1.10Å | |
| C31 | H50 | sing | 1.10Å | 1.10Å | |
| N12 | C32 | sing | 1.46Å | 1.46Å | |
| N12 | H51 | sing | 1.00Å | 1.00Å | |
| C32 | C33 | sing | 1.54Å | 1.54Å | |
| C32 | C34 | sing | 1.53Å | 1.53Å | |
| C32 | H52 | sing | 1.10Å | 1.10Å | |
| C33 | O12 | doub | 1.23Å | 1.23Å | |
| C34 | H53 | sing | 1.10Å | 1.10Å | |
| C34 | H54 | sing | 1.10Å | 1.10Å | |
| C34 | H55 | sing | 1.10Å | 1.10Å | |
| N13 | C35 | sing | 1.47Å | 1.47Å | |
| N13 | H56 | sing | 1.00Å | 1.00Å | |
| C35 | C36 | sing | 1.54Å | 1.54Å | |
| C35 | C37 | sing | 1.54Å | 1.54Å | |
| C35 | H57 | sing | 1.10Å | 1.10Å | |
| C36 | O13 | doub | 1.23Å | 1.23Å | |
| C37 | C38 | sing | 1.50Å | 1.50Å | |
| C37 | H58 | sing | 1.10Å | 1.10Å | |
| C37 | H59 | sing | 1.10Å | 1.10Å | |
| C38 | C39 | doub | 1.35Å | 1.35Å | Aromatic |
| C38 | C40 | sing | 1.47Å | 1.47Å | Aromatic |
| C39 | N14 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | H60 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | doub | 1.43Å | 1.43Å | Aromatic |
| C40 | C42 | sing | 1.41Å | 1.41Å | Aromatic |
| N14 | C41 | sing | 1.37Å | 1.37Å | Aromatic |
| N14 | H61 | sing | 1.00Å | 1.00Å | |
| C41 | C43 | sing | 1.40Å | 1.40Å | Aromatic |
| C42 | C44 | doub | 1.41Å | 1.41Å | Aromatic |
| C42 | H62 | sing | 1.08Å | 1.08Å | |
| C43 | C45 | doub | 1.41Å | 1.41Å | Aromatic |
| C43 | H63 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | sing | 1.40Å | 1.40Å | Aromatic |
| C44 | H64 | sing | 1.08Å | 1.08Å | |
| C45 | H65 | sing | 1.08Å | 1.08Å | |
| N15 | C46 | sing | 1.48Å | 1.48Å | |
| N15 | H66 | sing | 1.00Å | 1.00Å | |
| C46 | C47 | sing | 1.54Å | 1.54Å | |
| C46 | C48 | sing | 1.54Å | 1.54Å | |
| C46 | H67 | sing | 1.10Å | 1.10Å | |
| C47 | O14 | doub | 1.23Å | 1.23Å | |
| C48 | C49 | sing | 1.54Å | 1.54Å | |
| C48 | H68 | sing | 1.10Å | 1.10Å | |
| C48 | H69 | sing | 1.10Å | 1.10Å | |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C49 | H70 | sing | 1.10Å | 1.10Å | |
| C49 | H71 | sing | 1.10Å | 1.10Å | |
| C50 | N16 | sing | 1.48Å | 1.48Å | |
| C50 | H72 | sing | 1.10Å | 1.10Å | |
| C50 | H73 | sing | 1.10Å | 1.10Å | |
| N16 | C51 | sing | 1.32Å | 1.32Å | |
| N16 | H74 | sing | 1.00Å | 1.00Å | |
| C51 | N17 | sing | 1.30Å | 1.30Å | |
| C51 | N18 | doub | 1.30Å | 1.30Å | |
| N17 | H75 | sing | 1.00Å | 1.00Å | |
| N17 | H76 | sing | 1.00Å | 1.00Å | |
| N18 | H77 | sing | 1.00Å | 1.00Å | |
| N18 | H78 | sing | 1.00Å | 1.00Å | |
| N19 | C52 | sing | 1.47Å | 1.47Å | |
| N19 | H79 | sing | 1.00Å | 1.00Å | |
| C52 | C53 | sing | 1.54Å | 1.54Å | |
| C52 | C54 | sing | 1.53Å | 1.53Å | |
| C52 | H80 | sing | 1.10Å | 1.10Å | |
| C53 | O15 | doub | 1.23Å | 1.23Å | |
| C54 | S4 | sing | 1.81Å | 1.81Å | |
| C54 | H81 | sing | 1.10Å | 1.10Å | |
| C54 | H82 | sing | 1.10Å | 1.10Å | |
| N20 | H83 | sing | 1.00Å | 1.00Å | |
| N20 | H84 | sing | 1.00Å | 1.00Å | |
| C2 | N2 | sing | 1.33Å | 1.33Å | |
| S1 | S3 | sing | 2.03Å | 2.03Å | |
| S2 | S4 | sing | 2.03Å | 2.03Å | |
| C7 | N3 | sing | 1.33Å | 1.33Å | |
| C9 | N4 | sing | 1.34Å | 1.34Å | |
| C12 | N5 | sing | 1.34Å | 1.34Å | |
| C15 | N6 | sing | 1.35Å | 1.35Å | |
| C19 | N7 | sing | 1.34Å | 1.34Å | |
| C24 | N11 | sing | 1.33Å | 1.33Å | |
| C30 | N12 | sing | 1.34Å | 1.34Å | |
| C33 | N13 | sing | 1.34Å | 1.34Å | |
| C36 | N15 | sing | 1.34Å | 1.34Å | |
| C47 | N19 | sing | 1.34Å | 1.34Å | |
| C53 | N20 | sing | 1.33Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 109.5° |
| C1 | N1 | H2 | 109.5° | 109.5° |
| N1 | C1 | C2 | 111.0° | 111.0° |
| N1 | C1 | H3 | 109.1° | 109.1° |
| N1 | C1 | H4 | 109.1° | 109.1° |
| H1 | N1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.1° | 109.1° |
| C2 | C1 | H4 | 109.1° | 109.1° |
| C1 | C2 | O1 | 119.3° | 119.3° |
| C1 | C2 | N2 | 118.8° | 118.8° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| O1 | C2 | N2 | 121.9° | 121.9° |
| O2 | C7 | C3 | 120.1° | 120.1° |
| O2 | C7 | N3 | 121.7° | 121.7° |
| C7 | C3 | C4 | 109.2° | 109.2° |
| C7 | C3 | N2 | 115.2° | 115.2° |
| C7 | C3 | H6 | 107.6° | 107.6° |
| C3 | C7 | N3 | 118.2° | 118.2° |
| S2 | C5 | C4 | 116.7° | 116.7° |
| S2 | C5 | C6 | 112.2° | 112.2° |
| S2 | C5 | H9 | 104.3° | 104.3° |
| C5 | S2 | S4 | 103.6° | 103.6° |
| C4 | C5 | C6 | 109.1° | 109.1° |
| C5 | C4 | C3 | 119.2° | 119.2° |
| C5 | C4 | H7 | 107.0° | 107.0° |
| C5 | C4 | H8 | 107.0° | 107.0° |
| C4 | C5 | H9 | 106.9° | 106.9° |
| C5 | C6 | S1 | 116.1° | 116.1° |
| C6 | C5 | H9 | 106.9° | 106.9° |
| C5 | C6 | H10 | 107.8° | 107.8° |
| C5 | C6 | H11 | 107.8° | 107.8° |
| C4 | C3 | N2 | 108.2° | 108.2° |
| C4 | C3 | H6 | 107.8° | 107.8° |
| C3 | C4 | H7 | 107.0° | 107.0° |
| C3 | C4 | H8 | 107.0° | 107.0° |
| C3 | N2 | H5 | 118.1° | 118.1° |
| N2 | C3 | H6 | 108.5° | 108.5° |
| C3 | N2 | C2 | 123.7° | 123.7° |
| S1 | C6 | H10 | 107.8° | 107.8° |
| S1 | C6 | H11 | 107.8° | 107.8° |
| C6 | S1 | S3 | 103.6° | 103.6° |
| H5 | N2 | C2 | 118.2° | 118.2° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| C8 | N3 | H12 | 117.1° | 117.1° |
| N3 | C8 | C9 | 115.8° | 115.8° |
| N3 | C8 | C10 | 107.3° | 107.3° |
| N3 | C8 | H13 | 108.1° | 108.1° |
| C8 | N3 | C7 | 125.7° | 125.7° |
| H12 | N3 | C7 | 117.1° | 117.1° |
| C9 | C8 | C10 | 110.7° | 110.7° |
| C9 | C8 | H13 | 107.2° | 107.2° |
| C8 | C9 | O3 | 120.2° | 120.2° |
| C8 | C9 | N4 | 118.5° | 118.5° |
| C10 | C8 | H13 | 107.4° | 107.4° |
| C8 | C10 | H14 | 109.5° | 109.5° |
| C8 | C10 | H15 | 109.5° | 109.5° |
| C8 | C10 | H16 | 109.5° | 109.5° |
| O3 | C9 | N4 | 121.3° | 121.3° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H16 | 109.5° | 109.4° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| C11 | N4 | H17 | 116.8° | 116.8° |
| N4 | C11 | C12 | 112.5° | 112.5° |
| N4 | C11 | C13 | 106.1° | 106.1° |
| N4 | C11 | H18 | 108.9° | 108.9° |
| C11 | N4 | C9 | 126.4° | 126.4° |
| H17 | N4 | C9 | 116.8° | 116.8° |
| C12 | C11 | C13 | 113.4° | 113.4° |
| C12 | C11 | H18 | 107.8° | 107.8° |
| C11 | C12 | O4 | 120.8° | 120.8° |
| C11 | C12 | N5 | 118.5° | 118.5° |
| C13 | C11 | H18 | 108.0° | 108.0° |
| C11 | C13 | O5 | 114.9° | 114.9° |
| C11 | C13 | H19 | 108.1° | 108.1° |
| C11 | C13 | H20 | 108.1° | 108.1° |
| O4 | C12 | N5 | 120.7° | 120.7° |
| O5 | C13 | H19 | 108.1° | 108.1° |
| O5 | C13 | H20 | 108.1° | 108.1° |
| C13 | O5 | H21 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| C14 | N5 | H22 | 116.9° | 116.9° |
| N5 | C14 | C15 | 112.0° | 112.0° |
| N5 | C14 | C16 | 107.7° | 107.7° |
| N5 | C14 | H23 | 108.7° | 108.7° |
| C14 | N5 | C12 | 126.1° | 126.1° |
| H22 | N5 | C12 | 116.9° | 116.9° |
| C15 | C14 | C16 | 112.7° | 112.7° |
| C15 | C14 | H23 | 107.7° | 107.7° |
| C14 | C15 | O6 | 120.3° | 120.3° |
| C14 | C15 | N6 | 118.8° | 118.8° |
| C16 | C14 | H23 | 107.9° | 107.9° |
| C14 | C16 | C17 | 113.4° | 113.4° |
| C14 | C16 | H24 | 108.5° | 108.5° |
| C14 | C16 | H25 | 108.5° | 108.5° |
| O6 | C15 | N6 | 120.9° | 120.9° |
| C17 | C16 | H24 | 108.5° | 108.5° |
| C17 | C16 | H25 | 108.5° | 108.5° |
| C16 | C17 | O7 | 119.3° | 119.3° |
| C16 | C17 | O8 | 119.2° | 119.2° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| O7 | C17 | O8 | 121.3° | 121.3° |
| C17 | O8 | H26 | 109.5° | 109.5° |
| C18 | N6 | C22 | 109.2° | 109.2° |
| N6 | C18 | C19 | 116.3° | 116.3° |
| N6 | C18 | C20 | 104.7° | 104.7° |
| N6 | C18 | H27 | 108.8° | 108.7° |
| C18 | N6 | C15 | 125.3° | 125.3° |
| N6 | C22 | C21 | 106.2° | 106.2° |
| N6 | C22 | H32 | 110.3° | 110.3° |
| N6 | C22 | H33 | 110.3° | 110.3° |
| C22 | N6 | C15 | 125.3° | 125.3° |
| C19 | C18 | C20 | 110.9° | 110.9° |
| C19 | C18 | H27 | 107.9° | 107.9° |
| C18 | C19 | O9 | 118.9° | 118.9° |
| C18 | C19 | N7 | 118.8° | 118.8° |
| C20 | C18 | H27 | 108.0° | 108.0° |
| C18 | C20 | C21 | 102.3° | 102.3° |
| C18 | C20 | H28 | 111.3° | 111.3° |
| C18 | C20 | H29 | 111.2° | 111.2° |
| O9 | C19 | N7 | 122.3° | 122.3° |
| C21 | C20 | H28 | 111.2° | 111.2° |
| C21 | C20 | H29 | 111.2° | 111.2° |
| C20 | C21 | C22 | 102.5° | 102.5° |
| C20 | C21 | H30 | 111.2° | 111.2° |
| C20 | C21 | H31 | 111.2° | 111.2° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| C22 | C21 | H30 | 111.2° | 111.2° |
| C22 | C21 | H31 | 111.2° | 111.2° |
| C21 | C22 | H32 | 110.3° | 110.3° |
| C21 | C22 | H33 | 110.3° | 110.3° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| H32 | C22 | H33 | 109.5° | 109.5° |
| C23 | N7 | H34 | 116.8° | 116.8° |
| N7 | C23 | C24 | 115.5° | 115.5° |
| N7 | C23 | C25 | 110.1° | 110.1° |
| N7 | C23 | H35 | 107.5° | 107.5° |
| C23 | N7 | C19 | 126.3° | 126.3° |
| H34 | N7 | C19 | 116.9° | 116.9° |
| C24 | C23 | C25 | 109.6° | 109.6° |
| C24 | C23 | H35 | 106.9° | 106.9° |
| C23 | C24 | O10 | 119.3° | 119.3° |
| C23 | C24 | N11 | 118.4° | 118.4° |
| C25 | C23 | H35 | 106.8° | 106.8° |
| C23 | C25 | C26 | 117.0° | 117.0° |
| C23 | C25 | H36 | 107.6° | 107.6° |
| C23 | C25 | H37 | 107.6° | 107.6° |
| O10 | C24 | N11 | 122.3° | 122.3° |
| C26 | C25 | H36 | 107.5° | 107.5° |
| C26 | C25 | H37 | 107.6° | 107.6° |
| C25 | C26 | C27 | 115.0° | 115.0° |
| C25 | C26 | H38 | 108.1° | 108.1° |
| C25 | C26 | H39 | 108.1° | 108.1° |
| H36 | C25 | H37 | 109.5° | 109.5° |
| C27 | C26 | H38 | 108.0° | 108.0° |
| C27 | C26 | H39 | 108.1° | 108.1° |
| C26 | C27 | N8 | 112.4° | 112.4° |
| C26 | C27 | H40 | 108.7° | 108.7° |
| C26 | C27 | H41 | 108.7° | 108.7° |
| H38 | C26 | H39 | 109.5° | 109.5° |
| N8 | C27 | H40 | 108.7° | 108.7° |
| N8 | C27 | H41 | 108.7° | 108.7° |
| C27 | N8 | C28 | 127.2° | 127.2° |
| C27 | N8 | H42 | 116.4° | 116.4° |
| H40 | C27 | H41 | 109.5° | 109.5° |
| C28 | N8 | H42 | 116.4° | 116.4° |
| N8 | C28 | N9 | 122.4° | 122.4° |
| N8 | C28 | N10 | 119.2° | 119.2° |
| N9 | C28 | N10 | 118.4° | 118.4° |
| C28 | N9 | H43 | 120.0° | 120.0° |
| C28 | N9 | H44 | 120.0° | 120.0° |
| C28 | N10 | H45 | 120.0° | 120.0° |
| C28 | N10 | H46 | 120.0° | 120.0° |
| H43 | N9 | H44 | 120.0° | 120.0° |
| H45 | N10 | H46 | 120.0° | 120.0° |
| C29 | N11 | H47 | 117.2° | 117.2° |
| N11 | C29 | C30 | 112.7° | 112.7° |
| N11 | C29 | C31 | 106.9° | 106.9° |
| N11 | C29 | H48 | 109.6° | 109.6° |
| C29 | N11 | C24 | 125.5° | 125.5° |
| H47 | N11 | C24 | 117.3° | 117.2° |
| C30 | C29 | C31 | 110.2° | 110.2° |
| C30 | C29 | H48 | 108.7° | 108.7° |
| C29 | C30 | O11 | 120.5° | 120.5° |
| C29 | C30 | N12 | 118.5° | 118.5° |
| C31 | C29 | H48 | 108.8° | 108.8° |
| C29 | C31 | S3 | 114.1° | 114.1° |
| C29 | C31 | H49 | 108.3° | 108.3° |
| C29 | C31 | H50 | 108.3° | 108.3° |
| O11 | C30 | N12 | 121.0° | 121.0° |
| S3 | C31 | H49 | 108.3° | 108.3° |
| S3 | C31 | H50 | 108.3° | 108.3° |
| C31 | S3 | S1 | 103.5° | 103.5° |
| H49 | C31 | H50 | 109.4° | 109.4° |
| C32 | N12 | H51 | 118.2° | 118.2° |
| N12 | C32 | C33 | 114.0° | 114.0° |
| N12 | C32 | C34 | 108.1° | 108.1° |
| N12 | C32 | H52 | 108.1° | 108.2° |
| C32 | N12 | C30 | 123.6° | 123.6° |
| H51 | N12 | C30 | 118.2° | 118.2° |
| C33 | C32 | C34 | 111.9° | 111.9° |
| C33 | C32 | H52 | 107.1° | 107.1° |
| C32 | C33 | O12 | 120.0° | 120.0° |
| C32 | C33 | N13 | 118.2° | 118.2° |
| C34 | C32 | H52 | 107.3° | 107.3° |
| C32 | C34 | H53 | 109.5° | 109.5° |
| C32 | C34 | H54 | 109.5° | 109.5° |
| C32 | C34 | H55 | 109.4° | 109.4° |
| O12 | C33 | N13 | 121.6° | 121.6° |
| H53 | C34 | H54 | 109.5° | 109.5° |
| H53 | C34 | H55 | 109.5° | 109.5° |
| H54 | C34 | H55 | 109.5° | 109.5° |
| C35 | N13 | H56 | 117.5° | 117.5° |
| N13 | C35 | C36 | 114.3° | 114.3° |
| N13 | C35 | C37 | 108.7° | 108.7° |
| N13 | C35 | H57 | 108.3° | 108.3° |
| C35 | N13 | C33 | 125.0° | 125.0° |
| H56 | N13 | C33 | 117.5° | 117.5° |
| C36 | C35 | C37 | 110.1° | 110.1° |
| C36 | C35 | H57 | 107.5° | 107.5° |
| C35 | C36 | O13 | 119.1° | 119.1° |
| C35 | C36 | N15 | 119.5° | 119.5° |
| C37 | C35 | H57 | 107.6° | 107.6° |
| C35 | C37 | C38 | 115.3° | 115.3° |
| C35 | C37 | H58 | 108.0° | 108.0° |
| C35 | C37 | H59 | 108.0° | 108.0° |
| O13 | C36 | N15 | 121.4° | 121.4° |
| C38 | C37 | H58 | 108.0° | 108.0° |
| C38 | C37 | H59 | 108.0° | 108.0° |
| C37 | C38 | C39 | 125.4° | 125.4° |
| C37 | C38 | C40 | 128.9° | 128.9° |
| H58 | C37 | H59 | 109.5° | 109.5° |
| C39 | C38 | C40 | 105.7° | 105.7° |
| C38 | C39 | N14 | 109.6° | 109.6° |
| C38 | C39 | H60 | 125.2° | 125.2° |
| C38 | C40 | C41 | 108.4° | 108.4° |
| C38 | C40 | C42 | 134.8° | 134.8° |
| N14 | C39 | H60 | 125.2° | 125.2° |
| C39 | N14 | C41 | 111.9° | 111.9° |
| C39 | N14 | H61 | 124.0° | 124.0° |
| C41 | C40 | C42 | 116.8° | 116.8° |
| C40 | C41 | N14 | 104.4° | 104.4° |
| C40 | C41 | C43 | 122.6° | 122.6° |
| C40 | C42 | C44 | 121.1° | 121.1° |
| C40 | C42 | H62 | 119.5° | 119.5° |
| C41 | N14 | H61 | 124.1° | 124.1° |
| N14 | C41 | C43 | 133.0° | 133.0° |
| C41 | C43 | C45 | 119.0° | 119.0° |
| C41 | C43 | H63 | 120.5° | 120.5° |
| C44 | C42 | H62 | 119.4° | 119.4° |
| C42 | C44 | C45 | 120.6° | 120.6° |
| C42 | C44 | H64 | 119.7° | 119.7° |
| C45 | C43 | H63 | 120.5° | 120.5° |
| C43 | C45 | C44 | 119.8° | 119.8° |
| C43 | C45 | H65 | 120.1° | 120.1° |
| C45 | C44 | H64 | 119.7° | 119.7° |
| C44 | C45 | H65 | 120.1° | 120.1° |
| C46 | N15 | H66 | 117.5° | 117.5° |
| N15 | C46 | C47 | 113.3° | 113.3° |
| N15 | C46 | C48 | 109.2° | 109.2° |
| N15 | C46 | H67 | 108.4° | 108.4° |
| C46 | N15 | C36 | 124.9° | 124.9° |
| H66 | N15 | C36 | 117.6° | 117.6° |
| C47 | C46 | C48 | 110.7° | 110.7° |
| C47 | C46 | H67 | 107.6° | 107.6° |
| C46 | C47 | O14 | 118.8° | 118.8° |
| C46 | C47 | N19 | 117.6° | 117.6° |
| C48 | C46 | H67 | 107.5° | 107.5° |
| C46 | C48 | C49 | 112.7° | 112.7° |
| C46 | C48 | H68 | 108.7° | 108.7° |
| C46 | C48 | H69 | 108.7° | 108.7° |
| O14 | C47 | N19 | 123.6° | 123.6° |
| C49 | C48 | H68 | 108.7° | 108.7° |
| C49 | C48 | H69 | 108.6° | 108.6° |
| C48 | C49 | C50 | 111.4° | 111.4° |
| C48 | C49 | H70 | 109.0° | 109.0° |
| C48 | C49 | H71 | 109.0° | 109.0° |
| H68 | C48 | H69 | 109.5° | 109.5° |
| C50 | C49 | H70 | 109.0° | 109.0° |
| C50 | C49 | H71 | 109.0° | 109.0° |
| C49 | C50 | N16 | 111.9° | 111.9° |
| C49 | C50 | H72 | 108.8° | 108.8° |
| C49 | C50 | H73 | 108.9° | 108.9° |
| H70 | C49 | H71 | 109.5° | 109.5° |
| N16 | C50 | H72 | 108.8° | 108.8° |
| N16 | C50 | H73 | 108.8° | 108.8° |
| C50 | N16 | C51 | 127.7° | 127.7° |
| C50 | N16 | H74 | 116.1° | 116.1° |
| H72 | C50 | H73 | 109.5° | 109.5° |
| C51 | N16 | H74 | 116.1° | 116.1° |
| N16 | C51 | N17 | 123.4° | 123.4° |
| N16 | C51 | N18 | 119.8° | 119.8° |
| N17 | C51 | N18 | 116.7° | 116.7° |
| C51 | N17 | H75 | 120.0° | 120.0° |
| C51 | N17 | H76 | 120.0° | 120.0° |
| C51 | N18 | H77 | 120.0° | 120.0° |
| C51 | N18 | H78 | 120.0° | 120.0° |
| H75 | N17 | H76 | 120.0° | 120.0° |
| H77 | N18 | H78 | 120.0° | 120.0° |
| C52 | N19 | H79 | 117.5° | 117.5° |
| N19 | C52 | C53 | 115.2° | 115.2° |
| N19 | C52 | C54 | 108.4° | 108.4° |
| N19 | C52 | H80 | 108.3° | 108.3° |
| C52 | N19 | C47 | 125.0° | 125.0° |
| H79 | N19 | C47 | 117.5° | 117.5° |
| C53 | C52 | C54 | 109.6° | 109.6° |
| C53 | C52 | H80 | 107.4° | 107.4° |
| C52 | C53 | O15 | 122.6° | 122.6° |
| C52 | C53 | N20 | 117.2° | 117.2° |
| C54 | C52 | H80 | 107.6° | 107.6° |
| C52 | C54 | S4 | 114.9° | 114.9° |
| C52 | C54 | H81 | 108.1° | 108.1° |
| C52 | C54 | H82 | 108.1° | 108.1° |
| O15 | C53 | N20 | 120.1° | 120.1° |
| S4 | C54 | H81 | 108.1° | 108.1° |
| S4 | C54 | H82 | 108.1° | 108.1° |
| C54 | S4 | S2 | 104.3° | 104.3° |
| H81 | C54 | H82 | 109.5° | 109.5° |
| H83 | N20 | H84 | 120.0° | 120.0° |
| H83 | N20 | C53 | 120.0° | 120.0° |
| H84 | N20 | C53 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | C2 | H3 | 120.2° | 120.2° |
| N1 | C1 | C2 | H4 | 120.3° | 120.3° |
| N1 | C1 | H3 | H4 | 119.3° | 119.3° |
| N1 | C1 | C2 | O1 | 86.7° | 86.7° |
| N1 | C1 | C2 | N2 | 93.6° | 93.6° |
| H1 | N1 | C1 | C2 | 180.0° | 180.0° |
| H1 | N1 | C1 | H3 | 59.7° | 59.7° |
| H1 | N1 | C1 | H4 | 59.8° | 59.8° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | H3 | 60.2° | 60.2° |
| H2 | N1 | C1 | H4 | 179.8° | 179.8° |
| C2 | C1 | H3 | H4 | 119.3° | 119.3° |
| C1 | C2 | O1 | N2 | 179.7° | 179.7° |
| C1 | C2 | N2 | C3 | 175.0° | 175.0° |
| C1 | C2 | N2 | H5 | 5.0° | 5.0° |
| H3 | C1 | C2 | O1 | 153.0° | 153.0° |
| H3 | C1 | C2 | N2 | 26.7° | 26.7° |
| H4 | C1 | C2 | O1 | 33.5° | 33.5° |
| H4 | C1 | C2 | N2 | 146.2° | 146.2° |
| O1 | C2 | N2 | C3 | 5.3° | 5.3° |
| O1 | C2 | N2 | H5 | 174.7° | 174.7° |
| O2 | C7 | C3 | N3 | 178.1° | 178.1° |
| O2 | C7 | C3 | C4 | 51.9° | 51.9° |
| O2 | C7 | C3 | N2 | 173.9° | 173.9° |
| O2 | C7 | C3 | H6 | 64.8° | 64.8° |
| O2 | C7 | N3 | C8 | 4.1° | 4.1° |
| O2 | C7 | N3 | H12 | 175.9° | 175.9° |
| C7 | C3 | C4 | C5 | 173.9° | 173.9° |
| C7 | C3 | C4 | N2 | 126.1° | 126.1° |
| C7 | C3 | C4 | H6 | 116.7° | 116.7° |
| C7 | C3 | N2 | H6 | 120.8° | 120.8° |
| C7 | C3 | N2 | H5 | 58.5° | 58.5° |
| C7 | C3 | C4 | H7 | 52.5° | 52.5° |
| C7 | C3 | C4 | H8 | 64.7° | 64.7° |
| C3 | C7 | N3 | C8 | 173.9° | 173.9° |
| C3 | C7 | N3 | H12 | 6.1° | 6.1° |
| C7 | C3 | N2 | C2 | 121.5° | 121.5° |
| S2 | C5 | C4 | C6 | 128.4° | 128.4° |
| S2 | C5 | C4 | H9 | 116.2° | 116.2° |
| S2 | C5 | C6 | H9 | 113.8° | 113.8° |
| S2 | C5 | C4 | C3 | 76.8° | 76.8° |
| S2 | C5 | C6 | S1 | 80.2° | 80.2° |
| S2 | C5 | C4 | H7 | 161.8° | 161.8° |
| S2 | C5 | C4 | H8 | 44.6° | 44.6° |
| S2 | C5 | C6 | H10 | 158.9° | 158.9° |
| S2 | C5 | C6 | H11 | 40.8° | 40.8° |
| C5 | S2 | S4 | C54 | 86.1° | 86.1° |
| C4 | C5 | C6 | H9 | 115.3° | 115.3° |
| C5 | C4 | C3 | H7 | 121.4° | 121.4° |
| C5 | C4 | C3 | H8 | 121.4° | 121.4° |
| C5 | C4 | C3 | N2 | 60.0° | 60.0° |
| C4 | C5 | C6 | S1 | 148.9° | 148.9° |
| C5 | C4 | C3 | H6 | 57.2° | 57.2° |
| C5 | C4 | H7 | H8 | 115.6° | 115.6° |
| C4 | C5 | C6 | H10 | 28.0° | 28.0° |
| C4 | C5 | C6 | H11 | 90.1° | 90.1° |
| C4 | C5 | S2 | S4 | 90.8° | 90.8° |
| C6 | C5 | C4 | C3 | 51.6° | 51.6° |
| C5 | C6 | S1 | H10 | 121.0° | 121.0° |
| C5 | C6 | S1 | H11 | 121.0° | 121.0° |
| C6 | C5 | C4 | H7 | 69.7° | 69.7° |
| C6 | C5 | C4 | H8 | 173.0° | 173.0° |
| C5 | C6 | H10 | H11 | 117.0° | 117.0° |
| C5 | C6 | S1 | S3 | 43.3° | 43.3° |
| C6 | C5 | S2 | S4 | 142.3° | 142.3° |
| C4 | C3 | N2 | H6 | 116.7° | 116.7° |
| C4 | C3 | N2 | H5 | 64.0° | 64.0° |
| C3 | C4 | H7 | H8 | 115.6° | 115.6° |
| C3 | C4 | C5 | H9 | 167.0° | 167.0° |
| C4 | C3 | N2 | C2 | 116.0° | 116.0° |
| C4 | C3 | C7 | N3 | 126.1° | 126.1° |
| C3 | N2 | H5 | C2 | 180.0° | 180.0° |
| N2 | C3 | C4 | H7 | 178.7° | 178.7° |
| N2 | C3 | C4 | H8 | 61.4° | 61.4° |
| N2 | C3 | C7 | N3 | 4.2° | 4.2° |
| S1 | C6 | C5 | H9 | 33.6° | 33.6° |
| S1 | C6 | H10 | H11 | 117.0° | 117.0° |
| C6 | S1 | S3 | C31 | 58.6° | 58.6° |
| H5 | N2 | C3 | H6 | 179.3° | 179.3° |
| H6 | C3 | C4 | H7 | 64.2° | 64.2° |
| H6 | C3 | C4 | H8 | 178.6° | 178.6° |
| H6 | C3 | N2 | C2 | 0.7° | 0.7° |
| H6 | C3 | C7 | N3 | 117.1° | 117.1° |
| H7 | C4 | C5 | H9 | 45.6° | 45.6° |
| H8 | C4 | C5 | H9 | 71.7° | 71.7° |
| H9 | C5 | C6 | H10 | 87.3° | 87.3° |
| H9 | C5 | C6 | H11 | 154.6° | 154.6° |
| H9 | C5 | S2 | S4 | 26.9° | 26.9° |
| H10 | C6 | S1 | S3 | 77.6° | 77.6° |
| H11 | C6 | S1 | S3 | 164.3° | 164.3° |
| C8 | N3 | H12 | C7 | 180.0° | 180.0° |
| N3 | C8 | C9 | C10 | 122.4° | 122.4° |
| N3 | C8 | C9 | H13 | 120.8° | 120.8° |
| N3 | C8 | C10 | H13 | 116.0° | 116.0° |
| N3 | C8 | C9 | O3 | 157.8° | 157.8° |
| N3 | C8 | C10 | H14 | 180.0° | 180.0° |
| N3 | C8 | C10 | H15 | 60.0° | 60.0° |
| N3 | C8 | C10 | H16 | 60.0° | 60.0° |
| N3 | C8 | C9 | N4 | 21.2° | 21.2° |
| H12 | N3 | C8 | C9 | 127.2° | 127.2° |
| H12 | N3 | C8 | C10 | 3.0° | 3.0° |
| H12 | N3 | C8 | H13 | 112.6° | 112.6° |
| C9 | C8 | C10 | H13 | 116.7° | 116.7° |
| C8 | C9 | O3 | N4 | 179.0° | 179.0° |
| C9 | C8 | C10 | H14 | 52.7° | 52.7° |
| C9 | C8 | C10 | H15 | 172.8° | 172.8° |
| C9 | C8 | C10 | H16 | 67.2° | 67.2° |
| C8 | C9 | N4 | C11 | 179.2° | 179.2° |
| C8 | C9 | N4 | H17 | 0.8° | 0.8° |
| C9 | C8 | N3 | C7 | 52.9° | 52.9° |
| C10 | C8 | C9 | O3 | 79.8° | 79.8° |
| C8 | C10 | H14 | H15 | 120.0° | 120.0° |
| C8 | C10 | H14 | H16 | 120.0° | 120.0° |
| C8 | C10 | H15 | H16 | 120.0° | 120.0° |
| C10 | C8 | N3 | C7 | 177.0° | 177.0° |
| C10 | C8 | C9 | N4 | 101.2° | 101.2° |
| H13 | C8 | C9 | O3 | 37.0° | 37.0° |
| H13 | C8 | C10 | H14 | 64.0° | 64.0° |
| H13 | C8 | C10 | H15 | 56.1° | 56.1° |
| H13 | C8 | C10 | H16 | 176.1° | 176.1° |
| H13 | C8 | N3 | C7 | 67.4° | 67.4° |
| H13 | C8 | C9 | N4 | 142.0° | 142.0° |
| O3 | C9 | N4 | C11 | 0.2° | 0.2° |
| O3 | C9 | N4 | H17 | 179.8° | 179.8° |
| H14 | C10 | H15 | H16 | 120.0° | 120.0° |
| C11 | N4 | H17 | C9 | 180.0° | 180.0° |
| N4 | C11 | C12 | C13 | 120.4° | 120.4° |
| N4 | C11 | C12 | H18 | 120.1° | 120.1° |
| N4 | C11 | C13 | H18 | 116.6° | 116.6° |
| N4 | C11 | C12 | O4 | 174.2° | 174.2° |
| N4 | C11 | C13 | O5 | 178.4° | 178.4° |
| N4 | C11 | C13 | H19 | 57.6° | 57.6° |
| N4 | C11 | C13 | H20 | 60.8° | 60.8° |
| N4 | C11 | C12 | N5 | 6.6° | 6.6° |
| H17 | N4 | C11 | C12 | 70.0° | 70.0° |
| H17 | N4 | C11 | C13 | 54.5° | 54.5° |
| H17 | N4 | C11 | H18 | 170.5° | 170.5° |
| C12 | C11 | C13 | H18 | 119.5° | 119.5° |
| C11 | C12 | O4 | N5 | 179.2° | 179.2° |
| C12 | C11 | C13 | O5 | 57.6° | 57.6° |
| C12 | C11 | C13 | H19 | 178.4° | 178.4° |
| C12 | C11 | C13 | H20 | 63.2° | 63.2° |
| C11 | C12 | N5 | C14 | 177.3° | 177.3° |
| C11 | C12 | N5 | H22 | 2.7° | 2.7° |
| C12 | C11 | N4 | C9 | 110.0° | 110.0° |
| C13 | C11 | C12 | O4 | 53.8° | 53.8° |
| C11 | C13 | O5 | H19 | 120.8° | 120.8° |
| C11 | C13 | O5 | H20 | 120.8° | 120.8° |
| C11 | C13 | H19 | H20 | 117.5° | 117.5° |
| C11 | C13 | O5 | H21 | 30.3° | 30.3° |
| C13 | C11 | N4 | C9 | 125.5° | 125.5° |
| C13 | C11 | C12 | N5 | 127.0° | 127.0° |
| H18 | C11 | C12 | O4 | 65.8° | 65.8° |
| H18 | C11 | C13 | O5 | 61.8° | 61.8° |
| H18 | C11 | C13 | H19 | 59.0° | 59.0° |
| H18 | C11 | C13 | H20 | 177.4° | 177.4° |
| H18 | C11 | N4 | C9 | 9.5° | 9.5° |
| H18 | C11 | C12 | N5 | 113.5° | 113.5° |
| O4 | C12 | N5 | C14 | 3.4° | 3.4° |
| O4 | C12 | N5 | H22 | 176.6° | 176.6° |
| O5 | C13 | H19 | H20 | 117.5° | 117.5° |
| H19 | C13 | O5 | H21 | 151.1° | 151.1° |
| H20 | C13 | O5 | H21 | 90.5° | 90.5° |
| C14 | N5 | H22 | C12 | 180.0° | 180.0° |
| N5 | C14 | C15 | C16 | 121.6° | 121.6° |
| N5 | C14 | C15 | H23 | 119.5° | 119.5° |
| N5 | C14 | C16 | H23 | 117.2° | 117.2° |
| N5 | C14 | C15 | O6 | 101.1° | 101.1° |
| N5 | C14 | C16 | C17 | 170.7° | 170.7° |
| N5 | C14 | C16 | H24 | 50.1° | 50.1° |
| N5 | C14 | C16 | H25 | 68.7° | 68.7° |
| N5 | C14 | C15 | N6 | 79.6° | 79.6° |
| H22 | N5 | C14 | C15 | 47.5° | 47.5° |
| H22 | N5 | C14 | C16 | 76.9° | 76.9° |
| H22 | N5 | C14 | H23 | 166.4° | 166.4° |
| C15 | C14 | C16 | H23 | 118.8° | 118.8° |
| C14 | C15 | O6 | N6 | 179.3° | 179.3° |
| C15 | C14 | C16 | C17 | 65.3° | 65.3° |
| C15 | C14 | C16 | H24 | 174.1° | 174.1° |
| C15 | C14 | C16 | H25 | 55.3° | 55.3° |
| C14 | C15 | N6 | C18 | 179.3° | 179.3° |
| C14 | C15 | N6 | C22 | 3.9° | 3.9° |
| C15 | C14 | N5 | C12 | 132.4° | 132.4° |
| C16 | C14 | C15 | O6 | 20.5° | 20.5° |
| C14 | C16 | C17 | H24 | 120.6° | 120.6° |
| C14 | C16 | C17 | H25 | 120.6° | 120.6° |
| C14 | C16 | H24 | H25 | 118.2° | 118.2° |
| C14 | C16 | C17 | O7 | 47.6° | 47.6° |
| C14 | C16 | C17 | O8 | 138.3° | 138.3° |
| C16 | C14 | N5 | C12 | 103.1° | 103.1° |
| C16 | C14 | C15 | N6 | 158.7° | 158.7° |
| H23 | C14 | C15 | O6 | 139.4° | 139.4° |
| H23 | C14 | C16 | C17 | 53.5° | 53.5° |
| H23 | C14 | C16 | H24 | 67.1° | 67.1° |
| H23 | C14 | C16 | H25 | 174.1° | 174.1° |
| H23 | C14 | N5 | C12 | 13.6° | 13.6° |
| H23 | C14 | C15 | N6 | 39.9° | 39.9° |
| O6 | C15 | N6 | C18 | 1.4° | 1.4° |
| O6 | C15 | N6 | C22 | 176.8° | 176.8° |
| C17 | C16 | H24 | H25 | 118.2° | 118.2° |
| C16 | C17 | O7 | O8 | 173.9° | 173.9° |
| C16 | C17 | O8 | H26 | 173.9° | 173.9° |
| H24 | C16 | C17 | O7 | 73.0° | 73.0° |
| H24 | C16 | C17 | O8 | 101.1° | 101.1° |
| H25 | C16 | C17 | O7 | 168.2° | 168.2° |
| H25 | C16 | C17 | O8 | 17.8° | 17.8° |
| O7 | C17 | O8 | H26 | 0.0° | 0.0° |
| C18 | N6 | C22 | C15 | 176.0° | 176.0° |
| N6 | C18 | C19 | C20 | 119.5° | 119.5° |
| N6 | C18 | C19 | H27 | 122.5° | 122.4° |
| N6 | C18 | C20 | H27 | 115.8° | 115.7° |
| N6 | C18 | C19 | O9 | 138.3° | 138.3° |
| N6 | C18 | C20 | C21 | 34.2° | 34.2° |
| N6 | C18 | C20 | H28 | 84.7° | 84.7° |
| N6 | C18 | C20 | H29 | 153.0° | 153.0° |
| C18 | N6 | C22 | C21 | 7.7° | 7.7° |
| C18 | N6 | C22 | H32 | 127.2° | 127.2° |
| C18 | N6 | C22 | H33 | 111.8° | 111.8° |
| N6 | C18 | C19 | N7 | 39.0° | 39.0° |
| C22 | N6 | C18 | C19 | 139.5° | 139.5° |
| C22 | N6 | C18 | C20 | 16.7° | 16.7° |
| C22 | N6 | C18 | H27 | 98.6° | 98.6° |
| N6 | C22 | C21 | C20 | 28.9° | 28.9° |
| N6 | C22 | C21 | H32 | 119.5° | 119.5° |
| N6 | C22 | C21 | H33 | 119.5° | 119.5° |
| N6 | C22 | C21 | H30 | 147.8° | 147.8° |
| N6 | C22 | C21 | H31 | 90.0° | 90.0° |
| N6 | C22 | H32 | H33 | 121.5° | 121.5° |
| C19 | C18 | C20 | H27 | 118.0° | 118.0° |
| C18 | C19 | O9 | N7 | 177.2° | 177.2° |
| C19 | C18 | C20 | C21 | 160.4° | 160.4° |
| C19 | C18 | C20 | H28 | 41.5° | 41.5° |
| C19 | C18 | C20 | H29 | 80.8° | 80.8° |
| C18 | C19 | N7 | C23 | 176.6° | 176.6° |
| C18 | C19 | N7 | H34 | 3.4° | 3.4° |
| C19 | C18 | N6 | C15 | 44.5° | 44.5° |
| C20 | C18 | C19 | O9 | 102.2° | 102.2° |
| C18 | C20 | C21 | H28 | 118.9° | 118.9° |
| C18 | C20 | C21 | H29 | 118.8° | 118.8° |
| C18 | C20 | H28 | H29 | 123.4° | 123.4° |
| C18 | C20 | C21 | C22 | 38.2° | 38.2° |
| C18 | C20 | C21 | H30 | 157.0° | 157.0° |
| C18 | C20 | C21 | H31 | 80.7° | 80.7° |
| C20 | C18 | N6 | C15 | 167.3° | 167.3° |
| C20 | C18 | C19 | N7 | 80.5° | 80.5° |
| H27 | C18 | C19 | O9 | 15.9° | 15.9° |
| H27 | C18 | C20 | C21 | 81.6° | 81.6° |
| H27 | C18 | C20 | H28 | 159.5° | 159.6° |
| H27 | C18 | C20 | H29 | 37.2° | 37.2° |
| H27 | C18 | N6 | C15 | 77.4° | 77.4° |
| H27 | C18 | C19 | N7 | 161.4° | 161.4° |
| O9 | C19 | N7 | C23 | 0.7° | 0.7° |
| O9 | C19 | N7 | H34 | 179.3° | 179.3° |
| C21 | C20 | H28 | H29 | 123.3° | 123.3° |
| C20 | C21 | C22 | H30 | 118.9° | 118.9° |
| C20 | C21 | C22 | H31 | 118.9° | 118.9° |
| C20 | C21 | H30 | H31 | 123.2° | 123.2° |
| C20 | C21 | C22 | H32 | 148.4° | 148.4° |
| C20 | C21 | C22 | H33 | 90.6° | 90.6° |
| H28 | C20 | C21 | C22 | 80.7° | 80.7° |
| H28 | C20 | C21 | H30 | 38.2° | 38.2° |
| H28 | C20 | C21 | H31 | 160.4° | 160.4° |
| H29 | C20 | C21 | C22 | 157.0° | 157.0° |
| H29 | C20 | C21 | H30 | 84.1° | 84.1° |
| H29 | C20 | C21 | H31 | 38.1° | 38.1° |
| C22 | C21 | H30 | H31 | 123.3° | 123.3° |
| C21 | C22 | H32 | H33 | 121.5° | 121.5° |
| C21 | C22 | N6 | C15 | 168.3° | 168.3° |
| H30 | C21 | C22 | H32 | 92.7° | 92.7° |
| H30 | C21 | C22 | H33 | 28.3° | 28.3° |
| H31 | C21 | C22 | H32 | 29.5° | 29.5° |
| H31 | C21 | C22 | H33 | 150.5° | 150.6° |
| H32 | C22 | N6 | C15 | 48.8° | 48.8° |
| H33 | C22 | N6 | C15 | 72.2° | 72.2° |
| C23 | N7 | H34 | C19 | 180.0° | 180.0° |
| N7 | C23 | C24 | C25 | 125.1° | 125.1° |
| N7 | C23 | C24 | H35 | 119.5° | 119.5° |
| N7 | C23 | C25 | H35 | 116.4° | 116.4° |
| N7 | C23 | C24 | O10 | 172.1° | 172.1° |
| N7 | C23 | C25 | C26 | 62.3° | 62.3° |
| N7 | C23 | C25 | H36 | 58.7° | 58.7° |
| N7 | C23 | C25 | H37 | 176.6° | 176.6° |
| N7 | C23 | C24 | N11 | 6.5° | 6.5° |
| H34 | N7 | C23 | C24 | 116.8° | 116.8° |
| H34 | N7 | C23 | C25 | 8.0° | 8.0° |
| H34 | N7 | C23 | H35 | 124.0° | 124.0° |
| C24 | C23 | C25 | H35 | 115.4° | 115.4° |
| C23 | C24 | O10 | N11 | 178.6° | 178.6° |
| C24 | C23 | C25 | C26 | 169.5° | 169.5° |
| C24 | C23 | C25 | H36 | 69.4° | 69.4° |
| C24 | C23 | C25 | H37 | 48.4° | 48.4° |
| C23 | C24 | N11 | C29 | 169.5° | 169.5° |
| C23 | C24 | N11 | H47 | 10.5° | 10.5° |
| C24 | C23 | N7 | C19 | 63.2° | 63.2° |
| C25 | C23 | C24 | O10 | 62.8° | 62.8° |
| C23 | C25 | C26 | H36 | 121.1° | 121.1° |
| C23 | C25 | C26 | H37 | 121.1° | 121.1° |
| C23 | C25 | H36 | H37 | 116.6° | 116.6° |
| C23 | C25 | C26 | C27 | 68.4° | 68.4° |
| C23 | C25 | C26 | H38 | 52.4° | 52.4° |
| C23 | C25 | C26 | H39 | 170.8° | 170.8° |
| C25 | C23 | N7 | C19 | 172.0° | 172.0° |
| C25 | C23 | C24 | N11 | 118.6° | 118.6° |
| H35 | C23 | C24 | O10 | 52.6° | 52.6° |
| H35 | C23 | C25 | C26 | 54.1° | 54.1° |
| H35 | C23 | C25 | H36 | 175.1° | 175.1° |
| H35 | C23 | C25 | H37 | 67.0° | 67.0° |
| H35 | C23 | N7 | C19 | 56.0° | 56.0° |
| H35 | C23 | C24 | N11 | 126.0° | 126.0° |
| O10 | C24 | N11 | C29 | 9.0° | 9.0° |
| O10 | C24 | N11 | H47 | 171.0° | 170.9° |
| C26 | C25 | H36 | H37 | 116.6° | 116.6° |
| C25 | C26 | C27 | H38 | 120.8° | 120.8° |
| C25 | C26 | C27 | H39 | 120.8° | 120.8° |
| C25 | C26 | H38 | H39 | 117.5° | 117.5° |
| C25 | C26 | C27 | N8 | 76.8° | 76.8° |
| C25 | C26 | C27 | H40 | 162.8° | 162.8° |
| C25 | C26 | C27 | H41 | 43.6° | 43.6° |
| H36 | C25 | C26 | C27 | 170.5° | 170.5° |
| H36 | C25 | C26 | H38 | 68.7° | 68.7° |
| H36 | C25 | C26 | H39 | 49.7° | 49.7° |
| H37 | C25 | C26 | C27 | 52.7° | 52.7° |
| H37 | C25 | C26 | H38 | 173.5° | 173.5° |
| H37 | C25 | C26 | H39 | 68.1° | 68.1° |
| C27 | C26 | H38 | H39 | 117.5° | 117.5° |
| C26 | C27 | N8 | H40 | 120.4° | 120.4° |
| C26 | C27 | N8 | H41 | 120.4° | 120.4° |
| C26 | C27 | H40 | H41 | 118.7° | 118.7° |
| C26 | C27 | N8 | C28 | 68.7° | 68.7° |
| C26 | C27 | N8 | H42 | 111.3° | 111.3° |
| H38 | C26 | C27 | N8 | 44.0° | 44.1° |
| H38 | C26 | C27 | H40 | 76.4° | 76.4° |
| H38 | C26 | C27 | H41 | 164.4° | 164.5° |
| H39 | C26 | C27 | N8 | 162.4° | 162.4° |
| H39 | C26 | C27 | H40 | 42.0° | 42.0° |
| H39 | C26 | C27 | H41 | 77.2° | 77.2° |
| N8 | C27 | H40 | H41 | 118.7° | 118.7° |
| C27 | N8 | C28 | H42 | 180.0° | 180.0° |
| C27 | N8 | C28 | N9 | 10.4° | 10.4° |
| C27 | N8 | C28 | N10 | 168.2° | 168.2° |
| H40 | C27 | N8 | C28 | 51.7° | 51.7° |
| H40 | C27 | N8 | H42 | 128.3° | 128.3° |
| H41 | C27 | N8 | C28 | 170.8° | 170.8° |
| H41 | C27 | N8 | H42 | 9.2° | 9.2° |
| N8 | C28 | N9 | N10 | 178.7° | 178.7° |
| N8 | C28 | N9 | H43 | 178.7° | 178.7° |
| N8 | C28 | N9 | H44 | 1.3° | 1.3° |
| N8 | C28 | N10 | H45 | 178.7° | 178.7° |
| N8 | C28 | N10 | H46 | 1.3° | 1.3° |
| H42 | N8 | C28 | N9 | 169.6° | 169.6° |
| H42 | N8 | C28 | N10 | 11.7° | 11.7° |
| C28 | N9 | H43 | H44 | 180.0° | 180.0° |
| N9 | C28 | N10 | H45 | 0.0° | 0.0° |
| N9 | C28 | N10 | H46 | 180.0° | 180.0° |
| N10 | C28 | N9 | H43 | 0.0° | 0.0° |
| N10 | C28 | N9 | H44 | 180.0° | 180.0° |
| C28 | N10 | H45 | H46 | 180.0° | 180.0° |
| C29 | N11 | H47 | C24 | 180.0° | 180.0° |
| N11 | C29 | C30 | C31 | 119.2° | 119.2° |
| N11 | C29 | C30 | H48 | 121.7° | 121.7° |
| N11 | C29 | C31 | H48 | 118.2° | 118.2° |
| N11 | C29 | C30 | O11 | 159.7° | 159.7° |
| N11 | C29 | C31 | S3 | 163.8° | 163.8° |
| N11 | C29 | C31 | H49 | 43.1° | 43.1° |
| N11 | C29 | C31 | H50 | 75.5° | 75.5° |
| N11 | C29 | C30 | N12 | 20.5° | 20.5° |
| H47 | N11 | C29 | C30 | 51.6° | 51.7° |
| H47 | N11 | C29 | C31 | 69.5° | 69.5° |
| H47 | N11 | C29 | H48 | 172.8° | 172.8° |
| C30 | C29 | C31 | H48 | 119.0° | 119.0° |
| C29 | C30 | O11 | N12 | 179.8° | 179.8° |
| C30 | C29 | C31 | S3 | 73.4° | 73.4° |
| C30 | C29 | C31 | H49 | 165.9° | 165.9° |
| C30 | C29 | C31 | H50 | 47.3° | 47.3° |
| C29 | C30 | N12 | C32 | 175.2° | 175.2° |
| C29 | C30 | N12 | H51 | 4.8° | 4.8° |
| C30 | C29 | N11 | C24 | 128.4° | 128.4° |
| C31 | C29 | C30 | O11 | 81.1° | 81.1° |
| C29 | C31 | S3 | H49 | 120.7° | 120.7° |
| C29 | C31 | S3 | H50 | 120.7° | 120.7° |
| C29 | C31 | H49 | H50 | 117.9° | 117.9° |
| C29 | C31 | S3 | S1 | 161.9° | 161.9° |
| C31 | C29 | N11 | C24 | 110.5° | 110.5° |
| C31 | C29 | C30 | N12 | 98.7° | 98.7° |
| H48 | C29 | C30 | O11 | 38.0° | 38.0° |
| H48 | C29 | C31 | S3 | 45.6° | 45.6° |
| H48 | C29 | C31 | H49 | 75.1° | 75.1° |
| H48 | C29 | C31 | H50 | 166.3° | 166.3° |
| H48 | C29 | N11 | C24 | 7.2° | 7.2° |
| H48 | C29 | C30 | N12 | 142.2° | 142.2° |
| O11 | C30 | N12 | C32 | 4.6° | 4.6° |
| O11 | C30 | N12 | H51 | 175.4° | 175.4° |
| S3 | C31 | H49 | H50 | 117.9° | 117.9° |
| H49 | C31 | S3 | S1 | 77.4° | 77.4° |
| H50 | C31 | S3 | S1 | 41.2° | 41.2° |
| C32 | N12 | H51 | C30 | 180.0° | 180.0° |
| N12 | C32 | C33 | C34 | 123.0° | 123.0° |
| N12 | C32 | C33 | H52 | 119.6° | 119.7° |
| N12 | C32 | C34 | H52 | 116.4° | 116.4° |
| N12 | C32 | C33 | O12 | 146.0° | 146.0° |
| N12 | C32 | C34 | H53 | 180.0° | 180.0° |
| N12 | C32 | C34 | H54 | 60.0° | 60.0° |
| N12 | C32 | C34 | H55 | 60.0° | 60.0° |
| N12 | C32 | C33 | N13 | 29.4° | 29.4° |
| H51 | N12 | C32 | C33 | 122.2° | 122.2° |
| H51 | N12 | C32 | C34 | 2.8° | 2.8° |
| H51 | N12 | C32 | H52 | 118.7° | 118.7° |
| C33 | C32 | C34 | H52 | 117.3° | 117.2° |
| C32 | C33 | O12 | N13 | 175.2° | 175.2° |
| C33 | C32 | C34 | H53 | 53.6° | 53.6° |
| C33 | C32 | C34 | H54 | 173.7° | 173.7° |
| C33 | C32 | C34 | H55 | 66.4° | 66.4° |
| C32 | C33 | N13 | C35 | 170.6° | 170.6° |
| C32 | C33 | N13 | H56 | 9.5° | 9.5° |
| C33 | C32 | N12 | C30 | 57.8° | 57.8° |
| C34 | C32 | C33 | O12 | 91.0° | 91.0° |
| C32 | C34 | H53 | H54 | 120.0° | 120.0° |
| C32 | C34 | H53 | H55 | 120.0° | 120.0° |
| C32 | C34 | H54 | H55 | 120.0° | 120.0° |
| C34 | C32 | N12 | C30 | 177.2° | 177.2° |
| C34 | C32 | C33 | N13 | 93.7° | 93.7° |
| H52 | C32 | C33 | O12 | 26.3° | 26.3° |
| H52 | C32 | C34 | H53 | 63.6° | 63.6° |
| H52 | C32 | C34 | H54 | 56.4° | 56.4° |
| H52 | C32 | C34 | H55 | 176.4° | 176.4° |
| H52 | C32 | N12 | C30 | 61.3° | 61.3° |
| H52 | C32 | C33 | N13 | 149.0° | 149.0° |
| O12 | C33 | N13 | C35 | 4.7° | 4.7° |
| O12 | C33 | N13 | H56 | 175.3° | 175.3° |
| H53 | C34 | H54 | H55 | 120.0° | 120.0° |
| C35 | N13 | H56 | C33 | 180.0° | 180.0° |
| N13 | C35 | C36 | C37 | 122.8° | 122.8° |
| N13 | C35 | C36 | H57 | 120.3° | 120.3° |
| N13 | C35 | C37 | H57 | 117.1° | 117.1° |
| N13 | C35 | C36 | O13 | 153.7° | 153.7° |
| N13 | C35 | C37 | C38 | 59.7° | 59.7° |
| N13 | C35 | C37 | H58 | 179.4° | 179.4° |
| N13 | C35 | C37 | H59 | 61.2° | 61.2° |
| N13 | C35 | C36 | N15 | 25.0° | 25.0° |
| H56 | N13 | C35 | C36 | 127.0° | 127.0° |
| H56 | N13 | C35 | C37 | 3.5° | 3.5° |
| H56 | N13 | C35 | H57 | 113.1° | 113.1° |
| C36 | C35 | C37 | H57 | 116.8° | 116.8° |
| C35 | C36 | O13 | N15 | 178.6° | 178.6° |
| C36 | C35 | C37 | C38 | 66.3° | 66.3° |
| C36 | C35 | C37 | H58 | 54.5° | 54.5° |
| C36 | C35 | C37 | H59 | 172.8° | 172.8° |
| C35 | C36 | N15 | C46 | 176.4° | 176.4° |
| C35 | C36 | N15 | H66 | 3.6° | 3.6° |
| C36 | C35 | N13 | C33 | 53.0° | 53.0° |
| C37 | C35 | C36 | O13 | 83.5° | 83.5° |
| C35 | C37 | C38 | H58 | 120.9° | 120.9° |
| C35 | C37 | C38 | H59 | 120.8° | 120.8° |
| C35 | C37 | H58 | H59 | 117.3° | 117.3° |
| C35 | C37 | C38 | C39 | 97.2° | 97.2° |
| C35 | C37 | C38 | C40 | 81.6° | 81.6° |
| C37 | C35 | N13 | C33 | 176.5° | 176.5° |
| C37 | C35 | C36 | N15 | 97.8° | 97.8° |
| H57 | C35 | C36 | O13 | 33.4° | 33.4° |
| H57 | C35 | C37 | C38 | 176.8° | 176.8° |
| H57 | C35 | C37 | H58 | 62.3° | 62.3° |
| H57 | C35 | C37 | H59 | 56.0° | 56.0° |
| H57 | C35 | N13 | C33 | 66.8° | 66.8° |
| H57 | C35 | C36 | N15 | 145.3° | 145.3° |
| O13 | C36 | N15 | C46 | 2.2° | 2.2° |
| O13 | C36 | N15 | H66 | 177.8° | 177.8° |
| C38 | C37 | H58 | H59 | 117.4° | 117.4° |
| C37 | C38 | C39 | C40 | 179.0° | 179.0° |
| C37 | C38 | C39 | N14 | 177.7° | 177.7° |
| C37 | C38 | C39 | H60 | 2.3° | 2.3° |
| C37 | C38 | C40 | C41 | 176.6° | 176.6° |
| C37 | C38 | C40 | C42 | 2.3° | 2.3° |
| H58 | C37 | C38 | C39 | 142.0° | 142.0° |
| H58 | C37 | C38 | C40 | 39.3° | 39.3° |
| H59 | C37 | C38 | C39 | 23.7° | 23.7° |
| H59 | C37 | C38 | C40 | 157.5° | 157.5° |
| C38 | C39 | N14 | H60 | 180.0° | 180.0° |
| C39 | C38 | C40 | C41 | 2.4° | 2.4° |
| C39 | C38 | C40 | C42 | 178.8° | 178.8° |
| C38 | C39 | N14 | C41 | 0.4° | 0.4° |
| C38 | C39 | N14 | H61 | 179.6° | 179.6° |
| C40 | C38 | C39 | N14 | 1.3° | 1.3° |
| C40 | C38 | C39 | H60 | 178.7° | 178.7° |
| C38 | C40 | C41 | C42 | 179.1° | 179.1° |
| C38 | C40 | C41 | N14 | 2.6° | 2.6° |
| C38 | C40 | C41 | C43 | 177.6° | 177.6° |
| C38 | C40 | C42 | C44 | 177.5° | 177.5° |
| C38 | C40 | C42 | H62 | 2.5° | 2.5° |
| C39 | N14 | C41 | C40 | 1.8° | 1.8° |
| C39 | N14 | C41 | H61 | 180.0° | 180.0° |
| C39 | N14 | C41 | C43 | 178.4° | 178.4° |
| H60 | C39 | N14 | C41 | 179.7° | 179.7° |
| H60 | C39 | N14 | H61 | 0.4° | 0.4° |
| C40 | C41 | N14 | C43 | 179.8° | 179.8° |
| C40 | C41 | N14 | H61 | 178.2° | 178.2° |
| C41 | C40 | C42 | C44 | 1.3° | 1.3° |
| C41 | C40 | C42 | H62 | 178.7° | 178.7° |
| C40 | C41 | C43 | C45 | 0.3° | 0.3° |
| C40 | C41 | C43 | H63 | 179.7° | 179.7° |
| C42 | C40 | C41 | N14 | 178.4° | 178.4° |
| C42 | C40 | C41 | C43 | 1.4° | 1.4° |
| C40 | C42 | C44 | H62 | 180.0° | 180.0° |
| C40 | C42 | C44 | C45 | 0.1° | 0.1° |
| C40 | C42 | C44 | H64 | 179.9° | 179.9° |
| N14 | C41 | C43 | C45 | 179.5° | 179.5° |
| N14 | C41 | C43 | H63 | 0.5° | 0.5° |
| H61 | N14 | C41 | C43 | 1.6° | 1.6° |
| C41 | C43 | C45 | H63 | 180.0° | 180.0° |
| C41 | C43 | C45 | C44 | 1.0° | 1.0° |
| C41 | C43 | C45 | H65 | 179.0° | 179.0° |
| C42 | C44 | C45 | C43 | 1.1° | 1.1° |
| C42 | C44 | C45 | H64 | 180.0° | 180.0° |
| C42 | C44 | C45 | H65 | 178.9° | 178.9° |
| H62 | C42 | C44 | C45 | 179.9° | 179.9° |
| H62 | C42 | C44 | H64 | 0.1° | 0.1° |
| C43 | C45 | C44 | H65 | 180.0° | 180.0° |
| C43 | C45 | C44 | H64 | 178.9° | 178.9° |
| H63 | C43 | C45 | C44 | 179.0° | 179.0° |
| H63 | C43 | C45 | H65 | 1.0° | 1.0° |
| H64 | C44 | C45 | H65 | 1.1° | 1.1° |
| C46 | N15 | H66 | C36 | 180.0° | 180.0° |
| N15 | C46 | C47 | C48 | 123.0° | 123.0° |
| N15 | C46 | C47 | H67 | 119.8° | 119.8° |
| N15 | C46 | C48 | H67 | 117.4° | 117.4° |
| N15 | C46 | C47 | O14 | 151.9° | 151.9° |
| N15 | C46 | C48 | C49 | 161.5° | 161.5° |
| N15 | C46 | C48 | H68 | 41.0° | 41.0° |
| N15 | C46 | C48 | H69 | 78.0° | 78.0° |
| N15 | C46 | C47 | N19 | 29.5° | 29.5° |
| H66 | N15 | C46 | C47 | 94.2° | 94.2° |
| H66 | N15 | C46 | C48 | 29.6° | 29.6° |
| H66 | N15 | C46 | H67 | 146.5° | 146.5° |
| C47 | C46 | C48 | H67 | 117.3° | 117.3° |
| C46 | C47 | O14 | N19 | 178.5° | 178.5° |
| C47 | C46 | C48 | C49 | 73.1° | 73.1° |
| C47 | C46 | C48 | H68 | 166.4° | 166.4° |
| C47 | C46 | C48 | H69 | 47.3° | 47.3° |
| C46 | C47 | N19 | C52 | 163.6° | 163.6° |
| C46 | C47 | N19 | H79 | 16.4° | 16.4° |
| C47 | C46 | N15 | C36 | 85.7° | 85.7° |
| C48 | C46 | C47 | O14 | 85.1° | 85.1° |
| C46 | C48 | C49 | H68 | 120.5° | 120.5° |
| C46 | C48 | C49 | H69 | 120.5° | 120.5° |
| C46 | C48 | H68 | H69 | 118.5° | 118.5° |
| C46 | C48 | C49 | C50 | 170.9° | 170.9° |
| C46 | C48 | C49 | H70 | 50.6° | 50.6° |
| C46 | C48 | C49 | H71 | 68.8° | 68.8° |
| C48 | C46 | N15 | C36 | 150.4° | 150.4° |
| C48 | C46 | C47 | N19 | 93.5° | 93.5° |
| H67 | C46 | C47 | O14 | 32.1° | 32.1° |
| H67 | C46 | C48 | C49 | 44.1° | 44.1° |
| H67 | C46 | C48 | H68 | 76.3° | 76.3° |
| H67 | C46 | C48 | H69 | 164.6° | 164.6° |
| H67 | C46 | N15 | C36 | 33.5° | 33.5° |
| H67 | C46 | C47 | N19 | 149.3° | 149.3° |
| O14 | C47 | N19 | C52 | 14.9° | 14.9° |
| O14 | C47 | N19 | H79 | 165.1° | 165.1° |
| C49 | C48 | H68 | H69 | 118.5° | 118.5° |
| C48 | C49 | C50 | H70 | 120.3° | 120.3° |
| C48 | C49 | C50 | H71 | 120.3° | 120.3° |
| C48 | C49 | H70 | H71 | 119.1° | 119.1° |
| C48 | C49 | C50 | N16 | 173.9° | 173.9° |
| C48 | C49 | C50 | H72 | 53.5° | 53.5° |
| C48 | C49 | C50 | H73 | 65.7° | 65.7° |
| H68 | C48 | C49 | C50 | 68.6° | 68.6° |
| H68 | C48 | C49 | H70 | 171.1° | 171.1° |
| H68 | C48 | C49 | H71 | 51.6° | 51.6° |
| H69 | C48 | C49 | C50 | 50.4° | 50.4° |
| H69 | C48 | C49 | H70 | 69.9° | 69.9° |
| H69 | C48 | C49 | H71 | 170.7° | 170.7° |
| C50 | C49 | H70 | H71 | 119.1° | 119.1° |
| C49 | C50 | N16 | H72 | 120.4° | 120.4° |
| C49 | C50 | N16 | H73 | 120.4° | 120.4° |
| C49 | C50 | H72 | H73 | 118.9° | 118.9° |
| C49 | C50 | N16 | C51 | 145.5° | 145.5° |
| C49 | C50 | N16 | H74 | 34.5° | 34.5° |
| H70 | C49 | C50 | N16 | 65.8° | 65.8° |
| H70 | C49 | C50 | H72 | 173.8° | 173.8° |
| H70 | C49 | C50 | H73 | 54.5° | 54.5° |
| H71 | C49 | C50 | N16 | 53.6° | 53.6° |
| H71 | C49 | C50 | H72 | 66.7° | 66.7° |
| H71 | C49 | C50 | H73 | 174.0° | 174.0° |
| N16 | C50 | H72 | H73 | 118.8° | 118.8° |
| C50 | N16 | C51 | H74 | 180.0° | 180.0° |
| C50 | N16 | C51 | N17 | 9.4° | 9.4° |
| C50 | N16 | C51 | N18 | 170.8° | 170.8° |
| H72 | C50 | N16 | C51 | 94.1° | 94.1° |
| H72 | C50 | N16 | H74 | 85.9° | 85.9° |
| H73 | C50 | N16 | C51 | 25.1° | 25.1° |
| H73 | C50 | N16 | H74 | 154.9° | 154.9° |
| N16 | C51 | N17 | N18 | 179.7° | 179.7° |
| N16 | C51 | N17 | H75 | 179.7° | 179.7° |
| N16 | C51 | N17 | H76 | 0.3° | 0.3° |
| N16 | C51 | N18 | H77 | 179.7° | 179.7° |
| N16 | C51 | N18 | H78 | 0.3° | 0.3° |
| H74 | N16 | C51 | N17 | 170.5° | 170.5° |
| H74 | N16 | C51 | N18 | 9.2° | 9.2° |
| C51 | N17 | H75 | H76 | 180.0° | 179.9° |
| N17 | C51 | N18 | H77 | 0.0° | 0.0° |
| N17 | C51 | N18 | H78 | 180.0° | 180.0° |
| N18 | C51 | N17 | H75 | 0.0° | 0.0° |
| N18 | C51 | N17 | H76 | 180.0° | 180.0° |
| C51 | N18 | H77 | H78 | 180.0° | 180.0° |
| C52 | N19 | H79 | C47 | 180.0° | 180.0° |
| N19 | C52 | C53 | C54 | 122.6° | 122.6° |
| N19 | C52 | C53 | H80 | 120.8° | 120.8° |
| N19 | C52 | C54 | H80 | 116.9° | 116.9° |
| N19 | C52 | C53 | O15 | 19.5° | 19.5° |
| N19 | C52 | C54 | S4 | 56.1° | 56.1° |
| N19 | C52 | C54 | H81 | 64.7° | 64.7° |
| N19 | C52 | C54 | H82 | 176.9° | 176.9° |
| N19 | C52 | C53 | N20 | 163.9° | 163.9° |
| H79 | N19 | C52 | C53 | 65.0° | 65.0° |
| H79 | N19 | C52 | C54 | 58.2° | 58.3° |
| H79 | N19 | C52 | H80 | 174.7° | 174.7° |
| C53 | C52 | C54 | H80 | 116.5° | 116.5° |
| C52 | C53 | O15 | N20 | 176.6° | 176.6° |
| C53 | C52 | C54 | S4 | 177.3° | 177.3° |
| C53 | C52 | C54 | H81 | 61.9° | 61.9° |
| C53 | C52 | C54 | H82 | 56.5° | 56.5° |
| C52 | C53 | N20 | H83 | 176.8° | 176.8° |
| C52 | C53 | N20 | H84 | 3.3° | 3.3° |
| C53 | C52 | N19 | C47 | 115.0° | 115.0° |
| C54 | C52 | C53 | O15 | 103.1° | 103.1° |
| C52 | C54 | S4 | H81 | 120.8° | 120.8° |
| C52 | C54 | S4 | H82 | 120.8° | 120.8° |
| C52 | C54 | H81 | H82 | 117.5° | 117.5° |
| C52 | C54 | S4 | S2 | 180.0° | 180.0° |
| C54 | C52 | N19 | C47 | 121.8° | 121.8° |
| C54 | C52 | C53 | N20 | 73.5° | 73.5° |
| H80 | C52 | C53 | O15 | 140.3° | 140.3° |
| H80 | C52 | C54 | S4 | 60.8° | 60.8° |
| H80 | C52 | C54 | H81 | 178.4° | 178.4° |
| H80 | C52 | C54 | H82 | 60.0° | 60.0° |
| H80 | C52 | N19 | C47 | 5.3° | 5.3° |
| H80 | C52 | C53 | N20 | 43.1° | 43.1° |
| O15 | C53 | N20 | H83 | 0.0° | 0.0° |
| O15 | C53 | N20 | H84 | 180.0° | 180.0° |
| S4 | C54 | H81 | H82 | 117.6° | 117.6° |
| H81 | C54 | S4 | S2 | 59.2° | 59.2° |
| H82 | C54 | S4 | S2 | 59.2° | 59.2° |
| H83 | N20 | H84 | C53 | 179.9° | 179.9° |
