PRD_002443
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | O4 | sing | 1.43Å | 1.42Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | O9 | sing | 1.43Å | 1.42Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | O6 | sing | 1.43Å | 1.44Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | O7 | sing | 1.43Å | 1.46Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | O8 | sing | 1.43Å | 1.46Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | O9 | sing | 1.43Å | 1.43Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | O10 | sing | 1.43Å | 1.44Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| O6 | H18 | sing | 0.97Å | 0.95Å | |
| O8 | H19 | sing | 0.97Å | 0.95Å | |
| O10 | H20 | sing | 0.97Å | 0.95Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C13 | O11 | doub | 1.21Å | 1.26Å | |
| C13 | O12 | sing | 1.34Å | 1.26Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | O14 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | O13 | sing | 1.43Å | 1.42Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | N1 | sing | 1.46Å | 1.48Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | O14 | sing | 1.43Å | 1.42Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | O15 | sing | 1.43Å | 1.42Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | O16 | sing | 1.43Å | 1.44Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | O17 | sing | 1.43Å | 1.43Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C22 | N1 | sing | 1.35Å | 1.35Å | |
| C22 | O18 | doub | 1.21Å | 1.24Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| N1 | H33 | sing | 0.97Å | 1.00Å | |
| O12 | H34 | sing | 0.97Å | 0.95Å | |
| O13 | H35 | sing | 0.97Å | 0.95Å | |
| O15 | H36 | sing | 0.97Å | 0.95Å | |
| O16 | H37 | sing | 0.97Å | 0.95Å | |
| O17 | H38 | sing | 0.97Å | 0.95Å | |
| S1 | C24 | sing | 1.81Å | 1.85Å | |
| C24 | C25 | sing | 1.51Å | 1.55Å | |
| N5 | C25 | doub | 1.29Å | 1.33Å | |
| C25 | N3 | sing | 1.37Å | 1.34Å | |
| N3 | C32 | sing | 1.46Å | 1.47Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C33 | sing | 1.51Å | 1.53Å | |
| C33 | O19 | doub | 1.21Å | 1.23Å | |
| C33 | N2 | sing | 1.35Å | 1.34Å | |
| C27 | N2 | sing | 1.47Å | 1.47Å | |
| C27 | C28 | sing | 1.51Å | 1.55Å | |
| C28 | N4 | sing | 1.35Å | 1.34Å | |
| C28 | O20 | doub | 1.21Å | 1.23Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| N2 | H44 | sing | 0.97Å | 1.00Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| N3 | H54 | sing | 0.97Å | 1.00Å | |
| N4 | H55 | sing | 0.97Å | 1.00Å | |
| N4 | H56 | sing | 0.97Å | 1.00Å | |
| N5 | H57 | sing | 0.97Å | 1.00Å | |
| O3 | C7 | sing | 1.43Å | 1.40Å | |
| O7 | C14 | sing | 1.43Å | 1.43Å | |
| C6 | S1 | sing | 1.81Å | 1.78Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 107.4° | 109.2° |
| C2 | C1 | O1 | 108.5° | 109.5° |
| C2 | C1 | H1 | 109.9° | 109.5° |
| C1 | C2 | C3 | 110.8° | 109.0° |
| C1 | C2 | O2 | 107.9° | 109.5° |
| C1 | C2 | H2 | 109.3° | 109.5° |
| C6 | C1 | O1 | 110.1° | 109.5° |
| C6 | C1 | H1 | 109.9° | 109.5° |
| C1 | C6 | O4 | 108.7° | 109.4° |
| C1 | C6 | H7 | 109.8° | 109.5° |
| C1 | C6 | S1 | 115.7° | 109.5° |
| O1 | C1 | H1 | 110.8° | 109.6° |
| C1 | O1 | H8 | 109.5° | 114.0° |
| C3 | C2 | O2 | 108.9° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.6° |
| C2 | C3 | C4 | 109.4° | 109.1° |
| C2 | C3 | O3 | 108.3° | 109.5° |
| C2 | C3 | H3 | 110.4° | 109.5° |
| O2 | C2 | H2 | 110.7° | 109.7° |
| C2 | O2 | H9 | 109.5° | 113.9° |
| C4 | C3 | O3 | 106.4° | 109.5° |
| C4 | C3 | H3 | 110.6° | 109.5° |
| C3 | C4 | C5 | 109.4° | 109.5° |
| C3 | C4 | O4 | 110.5° | 109.4° |
| C3 | C4 | H4 | 109.6° | 109.4° |
| O3 | C3 | H3 | 111.6° | 109.6° |
| C3 | O3 | C7 | 115.5° | 114.0° |
| C5 | C4 | O4 | 107.3° | 109.5° |
| C5 | C4 | H4 | 109.2° | 109.5° |
| C4 | C5 | O5 | 108.1° | 109.4° |
| C4 | C5 | H5 | 109.8° | 109.5° |
| C4 | C5 | H6 | 109.8° | 109.4° |
| O4 | C4 | H4 | 110.8° | 109.5° |
| C4 | O4 | C6 | 111.3° | 114.1° |
| O5 | C5 | H5 | 109.8° | 109.5° |
| O5 | C5 | H6 | 109.8° | 109.5° |
| C5 | O5 | H10 | 109.5° | 113.9° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| O4 | C6 | H7 | 111.1° | 109.5° |
| O4 | C6 | S1 | 104.7° | 109.4° |
| H7 | C6 | S1 | 106.7° | 109.5° |
| C8 | C7 | O9 | 109.1° | 109.4° |
| C8 | C7 | H11 | 110.0° | 109.5° |
| C7 | C8 | C9 | 110.3° | 109.2° |
| C7 | C8 | O6 | 108.3° | 109.5° |
| C7 | C8 | H12 | 109.2° | 109.5° |
| C8 | C7 | O3 | 106.0° | 109.5° |
| O9 | C7 | H11 | 111.4° | 109.5° |
| C7 | O9 | C11 | 110.7° | 114.1° |
| O9 | C7 | O3 | 108.5° | 109.5° |
| H11 | C7 | O3 | 111.6° | 109.4° |
| C9 | C8 | O6 | 109.4° | 109.5° |
| C9 | C8 | H12 | 109.4° | 109.5° |
| C8 | C9 | C10 | 109.7° | 109.0° |
| C8 | C9 | O7 | 106.3° | 109.6° |
| C8 | C9 | H13 | 111.3° | 109.5° |
| O6 | C8 | H12 | 110.2° | 109.6° |
| C8 | O6 | H18 | 109.5° | 113.9° |
| C10 | C9 | O7 | 106.0° | 109.5° |
| C10 | C9 | H13 | 111.2° | 109.6° |
| C9 | C10 | C11 | 110.0° | 109.2° |
| C9 | C10 | O8 | 108.5° | 109.5° |
| C9 | C10 | H14 | 108.9° | 109.5° |
| O7 | C9 | H13 | 112.0° | 109.6° |
| C9 | O7 | C14 | 119.0° | 114.0° |
| C11 | C10 | O8 | 111.8° | 109.5° |
| C11 | C10 | H14 | 108.4° | 109.5° |
| C10 | C11 | C12 | 110.5° | 109.5° |
| C10 | C11 | O9 | 110.4° | 109.4° |
| C10 | C11 | H15 | 108.6° | 109.5° |
| O8 | C10 | H14 | 109.3° | 109.6° |
| C10 | O8 | H19 | 109.4° | 114.0° |
| C12 | C11 | O9 | 108.5° | 109.5° |
| C12 | C11 | H15 | 108.7° | 109.5° |
| C11 | C12 | O10 | 108.9° | 109.5° |
| C11 | C12 | H16 | 109.6° | 109.4° |
| C11 | C12 | H17 | 109.6° | 109.5° |
| O9 | C11 | H15 | 110.1° | 109.5° |
| O10 | C12 | H16 | 109.6° | 109.4° |
| O10 | C12 | H17 | 109.6° | 109.5° |
| C12 | O10 | H20 | 109.6° | 114.0° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| C14 | C13 | O11 | 118.6° | 120.0° |
| C14 | C13 | O12 | 116.4° | 120.0° |
| C13 | C14 | C15 | 115.1° | 109.4° |
| C13 | C14 | O14 | 113.1° | 109.5° |
| C13 | C14 | O7 | 106.7° | 109.5° |
| O11 | C13 | O12 | 124.5° | 120.0° |
| C13 | O12 | H34 | 109.5° | 117.0° |
| C15 | C14 | O14 | 108.9° | 109.4° |
| C14 | C15 | C16 | 112.7° | 109.2° |
| C14 | C15 | H21 | 108.6° | 109.5° |
| C14 | C15 | H22 | 108.6° | 109.5° |
| C15 | C14 | O7 | 104.9° | 109.5° |
| C14 | O14 | C18 | 115.2° | 114.1° |
| O14 | C14 | O7 | 107.6° | 109.5° |
| C16 | C15 | H21 | 108.7° | 109.5° |
| C16 | C15 | H22 | 108.7° | 109.5° |
| C15 | C16 | C17 | 109.2° | 109.0° |
| C15 | C16 | O13 | 106.9° | 109.5° |
| C15 | C16 | H23 | 109.7° | 109.6° |
| H21 | C15 | H22 | 109.4° | 109.6° |
| C17 | C16 | O13 | 110.4° | 109.5° |
| C17 | C16 | H23 | 109.5° | 109.5° |
| C16 | C17 | C18 | 106.2° | 109.1° |
| C16 | C17 | N1 | 114.6° | 109.5° |
| C16 | C17 | H24 | 109.2° | 109.5° |
| O13 | C16 | H23 | 111.1° | 109.7° |
| C16 | O13 | H35 | 109.5° | 113.9° |
| C18 | C17 | N1 | 108.0° | 109.6° |
| C18 | C17 | H24 | 109.0° | 109.5° |
| C17 | C18 | C19 | 114.2° | 109.5° |
| C17 | C18 | O14 | 109.3° | 109.4° |
| C17 | C18 | H25 | 108.4° | 109.5° |
| N1 | C17 | H24 | 109.7° | 109.6° |
| C17 | N1 | C22 | 122.6° | 120.0° |
| C17 | N1 | H33 | 118.7° | 120.0° |
| C19 | C18 | O14 | 106.4° | 109.5° |
| C19 | C18 | H25 | 108.5° | 109.5° |
| C18 | C19 | C20 | 106.8° | 109.5° |
| C18 | C19 | O15 | 108.1° | 109.5° |
| C18 | C19 | H26 | 110.4° | 109.5° |
| O14 | C18 | H25 | 110.0° | 109.5° |
| C20 | C19 | O15 | 109.2° | 109.5° |
| C20 | C19 | H26 | 110.1° | 109.5° |
| C19 | C20 | C21 | 112.4° | 109.5° |
| C19 | C20 | O16 | 109.4° | 109.5° |
| C19 | C20 | H27 | 108.6° | 109.5° |
| O15 | C19 | H26 | 112.1° | 109.5° |
| C19 | O15 | H36 | 109.5° | 114.0° |
| C21 | C20 | O16 | 107.6° | 109.5° |
| C21 | C20 | H27 | 108.9° | 109.4° |
| C20 | C21 | O17 | 108.1° | 109.5° |
| C20 | C21 | H28 | 109.8° | 109.5° |
| C20 | C21 | H29 | 109.8° | 109.4° |
| O16 | C20 | H27 | 110.0° | 109.4° |
| C20 | O16 | H37 | 109.5° | 114.0° |
| O17 | C21 | H28 | 109.9° | 109.5° |
| O17 | C21 | H29 | 109.8° | 109.5° |
| C21 | O17 | H38 | 109.5° | 114.0° |
| H28 | C21 | H29 | 109.4° | 109.4° |
| C23 | C22 | N1 | 114.9° | 120.0° |
| C23 | C22 | O18 | 121.4° | 120.0° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.5° | 109.4° |
| C22 | C23 | H32 | 109.5° | 109.5° |
| N1 | C22 | O18 | 123.7° | 120.0° |
| C22 | N1 | H33 | 118.7° | 119.9° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | H32 | 109.4° | 109.5° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| S1 | C24 | C25 | 111.7° | 109.5° |
| S1 | C24 | H39 | 108.9° | 109.5° |
| S1 | C24 | H40 | 108.9° | 109.5° |
| C24 | S1 | C6 | 97.8° | 103.0° |
| C24 | C25 | N5 | 118.8° | 119.9° |
| C24 | C25 | N3 | 118.3° | 120.0° |
| C25 | C24 | H39 | 108.9° | 109.5° |
| C25 | C24 | H40 | 108.9° | 109.5° |
| N5 | C25 | N3 | 122.8° | 120.0° |
| C25 | N5 | H57 | 112.0° | 120.0° |
| C25 | N3 | C32 | 122.5° | 120.0° |
| C25 | N3 | H54 | 118.8° | 120.0° |
| N3 | C32 | C31 | 109.1° | 109.5° |
| N3 | C32 | H52 | 109.6° | 109.5° |
| N3 | C32 | H53 | 109.6° | 109.5° |
| C32 | N3 | H54 | 118.7° | 120.0° |
| C32 | C31 | C30 | 109.6° | 109.4° |
| C32 | C31 | H50 | 109.5° | 109.5° |
| C32 | C31 | H51 | 109.4° | 109.5° |
| C31 | C32 | H52 | 109.6° | 109.4° |
| C31 | C32 | H53 | 109.6° | 109.5° |
| C31 | C30 | C29 | 109.5° | 109.4° |
| C31 | C30 | H48 | 109.5° | 109.4° |
| C31 | C30 | H49 | 109.5° | 109.5° |
| C30 | C31 | H50 | 109.5° | 109.4° |
| C30 | C31 | H51 | 109.5° | 109.5° |
| C30 | C29 | C27 | 109.4° | 109.5° |
| C30 | C29 | H46 | 109.5° | 109.4° |
| C30 | C29 | H47 | 109.5° | 109.5° |
| C29 | C30 | H48 | 109.4° | 109.5° |
| C29 | C30 | H49 | 109.4° | 109.5° |
| C29 | C27 | N2 | 109.0° | 109.5° |
| C29 | C27 | C28 | 110.6° | 109.5° |
| C29 | C27 | H45 | 109.0° | 109.4° |
| C27 | C29 | H46 | 109.5° | 109.5° |
| C27 | C29 | H47 | 109.4° | 109.5° |
| C26 | C33 | O19 | 120.8° | 120.0° |
| C26 | C33 | N2 | 116.0° | 120.0° |
| C33 | C26 | H41 | 109.4° | 109.5° |
| C33 | C26 | H42 | 109.5° | 109.5° |
| C33 | C26 | H43 | 109.5° | 109.4° |
| O19 | C33 | N2 | 123.2° | 120.0° |
| C33 | N2 | C27 | 124.0° | 120.0° |
| C33 | N2 | H44 | 118.0° | 120.0° |
| N2 | C27 | C28 | 109.4° | 109.5° |
| C27 | N2 | H44 | 118.0° | 120.0° |
| N2 | C27 | H45 | 109.9° | 109.5° |
| C27 | C28 | N4 | 115.1° | 120.0° |
| C27 | C28 | O20 | 121.6° | 120.0° |
| C28 | C27 | H45 | 108.9° | 109.5° |
| N4 | C28 | O20 | 123.4° | 120.0° |
| C28 | N4 | H55 | 120.0° | 120.0° |
| C28 | N4 | H56 | 120.0° | 120.0° |
| H39 | C24 | H40 | 109.5° | 109.4° |
| H41 | C26 | H42 | 109.5° | 109.4° |
| H41 | C26 | H43 | 109.5° | 109.5° |
| H42 | C26 | H43 | 109.5° | 109.5° |
| H46 | C29 | H47 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.5° | 109.5° |
| H50 | C31 | H51 | 109.4° | 109.5° |
| H52 | C32 | H53 | 109.4° | 109.5° |
| H55 | N4 | H56 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 118.0° | 119.9° |
| C2 | C1 | C6 | H1 | 119.6° | 119.9° |
| C2 | C1 | O1 | H1 | 120.8° | 120.1° |
| C1 | C2 | C3 | O2 | 118.6° | 119.8° |
| C1 | C2 | C3 | H2 | 120.4° | 119.8° |
| C1 | C2 | O2 | H2 | 119.6° | 120.2° |
| C1 | C2 | C3 | C4 | 53.5° | 57.0° |
| C1 | C2 | C3 | O3 | 169.1° | 176.9° |
| C1 | C2 | C3 | H3 | 68.4° | 62.9° |
| C2 | C1 | C6 | O4 | 61.7° | 57.6° |
| C2 | C1 | C6 | H7 | 60.1° | 62.3° |
| C2 | C1 | O1 | H8 | 180.0° | 180.0° |
| C1 | C2 | O2 | H9 | 180.0° | 60.0° |
| C2 | C1 | C6 | S1 | 179.1° | 177.6° |
| C6 | C1 | O1 | H1 | 121.8° | 120.2° |
| C6 | C1 | C2 | C3 | 56.4° | 57.0° |
| C6 | C1 | C2 | O2 | 175.6° | 176.8° |
| C6 | C1 | C2 | H2 | 63.9° | 62.9° |
| C1 | C6 | O4 | C4 | 66.1° | 61.2° |
| C1 | C6 | O4 | H7 | 121.0° | 120.0° |
| C1 | C6 | O4 | S1 | 124.2° | 120.0° |
| C1 | C6 | H7 | S1 | 126.1° | 120.1° |
| C6 | C1 | O1 | H8 | 62.7° | 60.3° |
| C1 | C6 | S1 | C24 | 170.9° | 175.0° |
| O1 | C1 | C2 | C3 | 175.5° | 176.9° |
| O1 | C1 | C2 | O2 | 65.4° | 63.3° |
| O1 | C1 | C2 | H2 | 55.1° | 57.0° |
| O1 | C1 | C6 | O4 | 179.7° | 177.5° |
| O1 | C1 | C6 | H7 | 58.0° | 57.6° |
| O1 | C1 | C6 | S1 | 62.9° | 62.5° |
| H1 | C1 | C2 | C3 | 63.2° | 62.9° |
| H1 | C1 | C2 | O2 | 55.9° | 56.9° |
| H1 | C1 | C2 | H2 | 176.4° | 177.2° |
| H1 | C1 | C6 | O4 | 57.9° | 62.3° |
| H1 | C1 | C6 | H7 | 179.7° | 177.8° |
| H1 | C1 | O1 | H8 | 59.1° | 59.9° |
| H1 | C1 | C6 | S1 | 59.5° | 57.7° |
| C3 | C2 | O2 | H2 | 120.1° | 120.3° |
| C2 | C3 | C4 | O3 | 116.8° | 119.9° |
| C2 | C3 | C4 | H3 | 121.8° | 119.9° |
| C2 | C3 | O3 | H3 | 121.7° | 120.2° |
| C2 | C3 | C4 | C5 | 172.9° | 177.6° |
| C2 | C3 | C4 | O4 | 55.0° | 57.6° |
| C2 | C3 | C4 | H4 | 67.3° | 62.4° |
| C3 | C2 | O2 | H9 | 59.7° | 179.5° |
| C2 | C3 | O3 | C7 | 104.8° | 90.0° |
| O2 | C2 | C3 | C4 | 172.1° | 176.8° |
| O2 | C2 | C3 | O3 | 72.3° | 63.3° |
| O2 | C2 | C3 | H3 | 50.1° | 56.9° |
| H2 | C2 | C3 | C4 | 66.9° | 62.9° |
| H2 | C2 | C3 | O3 | 48.6° | 57.0° |
| H2 | C2 | C3 | H3 | 171.1° | 177.2° |
| H2 | C2 | O2 | H9 | 60.4° | 60.2° |
| C4 | C3 | O3 | H3 | 120.8° | 120.2° |
| C3 | C4 | C5 | O4 | 119.9° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 119.9° |
| C3 | C4 | O4 | H4 | 121.7° | 120.0° |
| C3 | C4 | C5 | O5 | 177.3° | 175.0° |
| C3 | C4 | C5 | H5 | 62.9° | 55.0° |
| C3 | C4 | C5 | H6 | 57.6° | 65.1° |
| C3 | C4 | O4 | C6 | 62.7° | 61.1° |
| C4 | C3 | O3 | C7 | 137.7° | 150.3° |
| O3 | C3 | C4 | C5 | 70.3° | 62.5° |
| O3 | C3 | C4 | O4 | 171.8° | 177.5° |
| O3 | C3 | C4 | H4 | 49.4° | 57.5° |
| C3 | O3 | C7 | C8 | 156.4° | 175.0° |
| C3 | O3 | C7 | O9 | 86.5° | 65.0° |
| C3 | O3 | C7 | H11 | 36.6° | 55.0° |
| H3 | C3 | C4 | C5 | 51.1° | 57.7° |
| H3 | C3 | C4 | O4 | 66.8° | 62.3° |
| H3 | C3 | C4 | H4 | 170.8° | 177.7° |
| H3 | C3 | O3 | C7 | 16.9° | 30.2° |
| C5 | C4 | O4 | H4 | 119.1° | 120.1° |
| C4 | C5 | O5 | H5 | 119.8° | 120.0° |
| C4 | C5 | O5 | H6 | 119.8° | 119.9° |
| C4 | C5 | H5 | H6 | 120.6° | 120.0° |
| C5 | C4 | O4 | C6 | 178.1° | 178.9° |
| C4 | C5 | O5 | H10 | 180.0° | 180.0° |
| O4 | C4 | C5 | O5 | 57.4° | 65.0° |
| O4 | C4 | C5 | H5 | 177.2° | 175.0° |
| O4 | C4 | C5 | H6 | 62.3° | 54.9° |
| C4 | O4 | C6 | H7 | 54.9° | 58.8° |
| C4 | O4 | C6 | S1 | 169.7° | 178.9° |
| H4 | C4 | C5 | O5 | 62.7° | 55.0° |
| H4 | C4 | C5 | H5 | 57.1° | 64.9° |
| H4 | C4 | C5 | H6 | 177.6° | 175.0° |
| H4 | C4 | O4 | C6 | 59.0° | 58.8° |
| O5 | C5 | H5 | H6 | 120.6° | 120.1° |
| H5 | C5 | O5 | H10 | 60.2° | 60.1° |
| H6 | C5 | O5 | H10 | 60.2° | 60.0° |
| O4 | C6 | H7 | S1 | 113.5° | 120.0° |
| O4 | C6 | S1 | C24 | 69.5° | 65.1° |
| H7 | C6 | S1 | C24 | 48.4° | 54.9° |
| C8 | C7 | O9 | H11 | 121.6° | 120.0° |
| C8 | C7 | O9 | O3 | 115.1° | 120.0° |
| C8 | C7 | H11 | O3 | 117.4° | 120.0° |
| C7 | C8 | C9 | O6 | 119.1° | 119.9° |
| C7 | C8 | C9 | H12 | 120.1° | 119.8° |
| C7 | C8 | O6 | H12 | 119.4° | 120.1° |
| C7 | C8 | C9 | C10 | 55.0° | 57.0° |
| C7 | C8 | C9 | O7 | 169.2° | 176.8° |
| C7 | C8 | C9 | H13 | 68.6° | 62.9° |
| C8 | C7 | O9 | C11 | 64.3° | 61.1° |
| C7 | C8 | O6 | H18 | 179.9° | 60.0° |
| O9 | C7 | H11 | O3 | 121.5° | 120.0° |
| O9 | C7 | C8 | C9 | 60.5° | 57.6° |
| O9 | C7 | C8 | O6 | 179.8° | 177.5° |
| O9 | C7 | C8 | H12 | 59.8° | 62.3° |
| C7 | O9 | C11 | C10 | 62.4° | 61.1° |
| C7 | O9 | C11 | C12 | 176.3° | 178.9° |
| C7 | O9 | C11 | H15 | 57.5° | 58.8° |
| H11 | C7 | C8 | C9 | 62.0° | 62.4° |
| H11 | C7 | C8 | O6 | 57.8° | 57.5° |
| H11 | C7 | C8 | H12 | 177.8° | 177.7° |
| H11 | C7 | O9 | C11 | 57.3° | 58.8° |
| C9 | C8 | O6 | H12 | 120.3° | 120.2° |
| C8 | C9 | C10 | O7 | 114.5° | 119.9° |
| C8 | C9 | C10 | H13 | 123.6° | 119.8° |
| C8 | C9 | O7 | H13 | 121.8° | 120.2° |
| C8 | C9 | C10 | C11 | 52.3° | 57.0° |
| C8 | C9 | C10 | O8 | 70.2° | 62.9° |
| C8 | C9 | C10 | H14 | 170.9° | 176.9° |
| C9 | C8 | O6 | H18 | 59.6° | 179.7° |
| C9 | C8 | C7 | O3 | 177.2° | 177.6° |
| C8 | C9 | O7 | C14 | 119.0° | 110.6° |
| O6 | C8 | C9 | C10 | 174.1° | 176.9° |
| O6 | C8 | C9 | O7 | 71.7° | 63.3° |
| O6 | C8 | C9 | H13 | 50.5° | 57.0° |
| O6 | C8 | C7 | O3 | 63.1° | 62.5° |
| H12 | C8 | C9 | C10 | 65.2° | 62.9° |
| H12 | C8 | C9 | O7 | 49.1° | 57.0° |
| H12 | C8 | C9 | H13 | 171.3° | 177.3° |
| H12 | C8 | O6 | H18 | 60.7° | 60.1° |
| H12 | C8 | C7 | O3 | 57.0° | 57.7° |
| C10 | C9 | O7 | H13 | 121.5° | 120.2° |
| C9 | C10 | C11 | O8 | 120.5° | 120.0° |
| C9 | C10 | C11 | H14 | 118.9° | 119.9° |
| C9 | C10 | O8 | H14 | 118.6° | 120.1° |
| C9 | C10 | C11 | C12 | 176.0° | 177.6° |
| C9 | C10 | C11 | O9 | 56.0° | 57.6° |
| C9 | C10 | C11 | H15 | 64.8° | 62.3° |
| C9 | C10 | O8 | H19 | 180.0° | 180.0° |
| C10 | C9 | O7 | C14 | 124.3° | 129.8° |
| O7 | C9 | C10 | C11 | 166.7° | 176.9° |
| O7 | C9 | C10 | O8 | 44.2° | 56.9° |
| O7 | C9 | C10 | H14 | 74.6° | 63.2° |
| C9 | O7 | C14 | C13 | 51.3° | 66.0° |
| C9 | O7 | C14 | C15 | 173.8° | 174.0° |
| C9 | O7 | C14 | O14 | 70.3° | 54.1° |
| H13 | C9 | C10 | C11 | 71.3° | 62.8° |
| H13 | C9 | C10 | O8 | 166.2° | 177.2° |
| H13 | C9 | C10 | H14 | 47.3° | 57.1° |
| H13 | C9 | O7 | C14 | 2.8° | 9.6° |
| C11 | C10 | O8 | H14 | 120.0° | 120.1° |
| C10 | C11 | C12 | O9 | 121.2° | 119.9° |
| C10 | C11 | C12 | H15 | 119.1° | 120.1° |
| C10 | C11 | O9 | H15 | 119.9° | 120.0° |
| C10 | C11 | C12 | O10 | 174.6° | 175.0° |
| C10 | C11 | C12 | H16 | 54.7° | 55.1° |
| C10 | C11 | C12 | H17 | 65.4° | 64.9° |
| C11 | C10 | O8 | H19 | 58.6° | 60.3° |
| O8 | C10 | C11 | C12 | 55.5° | 57.6° |
| O8 | C10 | C11 | O9 | 64.6° | 62.3° |
| O8 | C10 | C11 | H15 | 174.7° | 177.7° |
| H14 | C10 | C11 | C12 | 65.1° | 62.5° |
| H14 | C10 | C11 | O9 | 174.9° | 177.5° |
| H14 | C10 | C11 | H15 | 54.1° | 57.5° |
| H14 | C10 | O8 | H19 | 61.4° | 59.9° |
| C12 | C11 | O9 | H15 | 118.8° | 120.0° |
| C11 | C12 | O10 | H16 | 119.9° | 119.9° |
| C11 | C12 | O10 | H17 | 120.0° | 120.1° |
| C11 | C12 | H16 | H17 | 120.3° | 120.0° |
| C11 | C12 | O10 | H20 | 180.0° | 180.0° |
| O9 | C11 | C12 | O10 | 64.2° | 65.1° |
| O9 | C11 | C12 | H16 | 175.9° | 175.0° |
| O9 | C11 | C12 | H17 | 55.8° | 55.0° |
| C11 | O9 | C7 | O3 | 179.4° | 178.8° |
| H15 | C11 | C12 | O10 | 55.5° | 54.9° |
| H15 | C11 | C12 | H16 | 64.4° | 65.0° |
| H15 | C11 | C12 | H17 | 175.5° | 175.0° |
| O10 | C12 | H16 | H17 | 120.3° | 120.0° |
| H16 | C12 | O10 | H20 | 60.1° | 60.1° |
| H17 | C12 | O10 | H20 | 60.1° | 59.9° |
| C14 | C13 | O11 | O12 | 172.5° | 180.0° |
| C13 | C14 | C15 | O14 | 128.1° | 120.0° |
| C13 | C14 | C15 | O7 | 116.9° | 120.0° |
| C13 | C14 | O14 | O7 | 117.5° | 120.1° |
| C13 | C14 | C15 | C16 | 78.6° | 62.4° |
| C13 | C14 | C15 | H21 | 160.9° | 177.7° |
| C13 | C14 | C15 | H22 | 42.0° | 57.5° |
| C13 | C14 | O14 | C18 | 73.7° | 58.8° |
| C14 | C13 | O12 | H34 | 172.6° | 180.0° |
| O11 | C13 | C14 | C15 | 135.4° | 125.0° |
| O11 | C13 | C14 | O14 | 9.4° | 115.0° |
| O11 | C13 | O12 | H34 | 0.1° | 0.0° |
| O11 | C13 | C14 | O7 | 108.7° | 5.1° |
| O12 | C13 | C14 | C15 | 51.5° | 55.0° |
| O12 | C13 | C14 | O14 | 177.4° | 64.9° |
| O12 | C13 | C14 | O7 | 64.5° | 175.0° |
| C15 | C14 | O14 | O7 | 113.2° | 120.0° |
| C14 | C15 | C16 | H21 | 120.5° | 119.9° |
| C14 | C15 | C16 | H22 | 120.5° | 119.9° |
| C14 | C15 | H21 | H22 | 118.5° | 120.2° |
| C14 | C15 | C16 | C17 | 53.9° | 57.0° |
| C14 | C15 | C16 | O13 | 173.4° | 176.8° |
| C14 | C15 | C16 | H23 | 66.1° | 62.9° |
| C15 | C14 | O14 | C18 | 55.5° | 61.2° |
| O14 | C14 | C15 | C16 | 49.5° | 57.6° |
| O14 | C14 | C15 | H21 | 71.0° | 62.3° |
| O14 | C14 | C15 | H22 | 170.1° | 177.5° |
| C14 | O14 | C18 | C17 | 64.7° | 61.2° |
| C14 | O14 | C18 | C19 | 171.5° | 178.8° |
| C14 | O14 | C18 | H25 | 54.2° | 58.8° |
| C16 | C15 | H21 | H22 | 118.5° | 120.1° |
| C15 | C16 | C17 | O13 | 117.2° | 119.8° |
| C15 | C16 | C17 | H23 | 120.1° | 119.9° |
| C15 | C16 | O13 | H23 | 119.6° | 120.3° |
| C15 | C16 | C17 | C18 | 58.9° | 57.0° |
| C15 | C16 | C17 | N1 | 178.0° | 176.9° |
| C15 | C16 | C17 | H24 | 58.5° | 62.9° |
| C15 | C16 | O13 | H35 | 180.0° | 60.1° |
| C16 | C15 | C14 | O7 | 164.5° | 177.6° |
| H21 | C15 | C16 | C17 | 66.5° | 63.0° |
| H21 | C15 | C16 | O13 | 52.9° | 56.9° |
| H21 | C15 | C16 | H23 | 173.4° | 177.2° |
| H21 | C15 | C14 | O7 | 44.0° | 57.7° |
| H22 | C15 | C16 | C17 | 174.5° | 176.9° |
| H22 | C15 | C16 | O13 | 66.1° | 63.3° |
| H22 | C15 | C16 | H23 | 54.4° | 57.1° |
| H22 | C15 | C14 | O7 | 74.9° | 62.5° |
| C17 | C16 | O13 | H23 | 121.7° | 120.2° |
| C16 | C17 | C18 | N1 | 123.3° | 119.9° |
| C16 | C17 | C18 | H24 | 117.5° | 119.9° |
| C16 | C17 | N1 | H24 | 123.2° | 120.1° |
| C16 | C17 | C18 | C19 | 177.4° | 177.6° |
| C16 | C17 | C18 | O14 | 63.5° | 57.6° |
| C16 | C17 | C18 | H25 | 56.4° | 62.4° |
| C16 | C17 | N1 | C22 | 112.4° | 85.0° |
| C16 | C17 | N1 | H33 | 67.6° | 95.0° |
| C17 | C16 | O13 | H35 | 61.3° | 179.6° |
| O13 | C16 | C17 | C18 | 176.1° | 176.8° |
| O13 | C16 | C17 | N1 | 64.8° | 63.3° |
| O13 | C16 | C17 | H24 | 58.7° | 56.9° |
| H23 | C16 | C17 | C18 | 61.2° | 62.9° |
| H23 | C16 | C17 | N1 | 57.8° | 57.0° |
| H23 | C16 | C17 | H24 | 178.6° | 177.2° |
| H23 | C16 | O13 | H35 | 60.4° | 60.2° |
| C18 | C17 | N1 | H24 | 118.7° | 120.2° |
| C17 | C18 | C19 | O14 | 120.7° | 119.9° |
| C17 | C18 | C19 | H25 | 121.0° | 120.0° |
| C17 | C18 | O14 | H25 | 118.9° | 120.0° |
| C17 | C18 | C19 | C20 | 171.6° | 177.0° |
| C17 | C18 | C19 | O15 | 54.2° | 57.0° |
| C17 | C18 | C19 | H26 | 68.7° | 63.0° |
| C18 | C17 | N1 | C22 | 129.6° | 155.3° |
| C18 | C17 | N1 | H33 | 50.5° | 24.6° |
| N1 | C17 | C18 | C19 | 54.1° | 62.5° |
| N1 | C17 | C18 | O14 | 173.2° | 177.5° |
| N1 | C17 | C18 | H25 | 67.0° | 57.5° |
| C17 | N1 | C22 | C23 | 174.4° | 180.0° |
| C17 | N1 | C22 | H33 | 180.0° | 180.0° |
| C17 | N1 | C22 | O18 | 6.4° | 0.0° |
| H24 | C17 | C18 | C19 | 65.1° | 57.7° |
| H24 | C17 | C18 | O14 | 54.0° | 62.3° |
| H24 | C17 | C18 | H25 | 173.9° | 177.7° |
| H24 | C17 | N1 | C22 | 10.8° | 35.1° |
| H24 | C17 | N1 | H33 | 169.2° | 144.9° |
| C19 | C18 | O14 | H25 | 117.3° | 120.0° |
| C18 | C19 | C20 | O15 | 116.6° | 120.0° |
| C18 | C19 | C20 | H26 | 119.9° | 120.0° |
| C18 | C19 | O15 | H26 | 121.9° | 120.0° |
| C18 | C19 | C20 | C21 | 174.0° | 176.3° |
| C18 | C19 | C20 | O16 | 54.6° | 63.6° |
| C18 | C19 | C20 | H27 | 65.5° | 56.4° |
| C18 | C19 | O15 | H36 | 180.0° | 60.0° |
| O14 | C18 | C19 | C20 | 50.9° | 57.1° |
| O14 | C18 | C19 | O15 | 66.5° | 62.9° |
| O14 | C18 | C19 | H26 | 170.6° | 177.1° |
| C18 | O14 | C14 | O7 | 168.8° | 178.8° |
| H25 | C18 | C19 | C20 | 67.4° | 63.0° |
| H25 | C18 | C19 | O15 | 175.3° | 177.0° |
| H25 | C18 | C19 | H26 | 52.3° | 57.0° |
| C20 | C19 | O15 | H26 | 122.3° | 120.0° |
| C19 | C20 | C21 | O16 | 120.5° | 120.0° |
| C19 | C20 | C21 | H27 | 120.3° | 120.0° |
| C19 | C20 | O16 | H27 | 119.2° | 120.0° |
| C19 | C20 | C21 | O17 | 70.8° | 175.0° |
| C19 | C20 | C21 | H28 | 169.4° | 54.9° |
| C19 | C20 | C21 | H29 | 48.9° | 65.0° |
| C20 | C19 | O15 | H36 | 64.2° | 60.0° |
| C19 | C20 | O16 | H37 | 74.6° | 60.0° |
| O15 | C19 | C20 | C21 | 69.4° | 56.3° |
| O15 | C19 | C20 | O16 | 171.2° | 176.4° |
| O15 | C19 | C20 | H27 | 51.1° | 63.6° |
| H26 | C19 | C20 | C21 | 54.1° | 63.6° |
| H26 | C19 | C20 | O16 | 65.3° | 56.4° |
| H26 | C19 | C20 | H27 | 174.6° | 176.4° |
| H26 | C19 | O15 | H36 | 58.1° | 180.0° |
| C21 | C20 | O16 | H27 | 118.5° | 119.9° |
| C20 | C21 | O17 | H28 | 119.8° | 120.0° |
| C20 | C21 | O17 | H29 | 119.8° | 120.0° |
| C20 | C21 | H28 | H29 | 120.6° | 119.9° |
| C21 | C20 | O16 | H37 | 163.1° | 60.1° |
| C20 | C21 | O17 | H38 | 180.0° | 180.0° |
| O16 | C20 | C21 | O17 | 49.7° | 64.9° |
| O16 | C20 | C21 | H28 | 70.1° | 175.0° |
| O16 | C20 | C21 | H29 | 169.4° | 55.1° |
| H27 | C20 | C21 | O17 | 168.9° | 55.0° |
| H27 | C20 | C21 | H28 | 49.1° | 65.1° |
| H27 | C20 | C21 | H29 | 71.3° | 175.0° |
| H27 | C20 | O16 | H37 | 44.6° | 180.0° |
| O17 | C21 | H28 | H29 | 120.6° | 120.0° |
| H28 | C21 | O17 | H38 | 60.2° | 60.0° |
| H29 | C21 | O17 | H38 | 60.2° | 60.0° |
| C23 | C22 | N1 | O18 | 179.2° | 180.0° |
| C22 | C23 | H30 | H31 | 120.1° | 120.0° |
| C22 | C23 | H30 | H32 | 120.0° | 120.0° |
| C22 | C23 | H31 | H32 | 120.0° | 120.0° |
| C23 | C22 | N1 | H33 | 5.6° | 0.0° |
| N1 | C22 | C23 | H30 | 179.2° | 90.0° |
| N1 | C22 | C23 | H31 | 59.2° | 150.0° |
| N1 | C22 | C23 | H32 | 60.8° | 30.0° |
| O18 | C22 | C23 | H30 | 0.0° | 90.0° |
| O18 | C22 | C23 | H31 | 120.0° | 30.0° |
| O18 | C22 | C23 | H32 | 120.0° | 150.0° |
| O18 | C22 | N1 | H33 | 173.6° | 180.0° |
| H30 | C23 | H31 | H32 | 119.9° | 120.0° |
| S1 | C24 | C25 | H39 | 120.3° | 120.0° |
| S1 | C24 | C25 | H40 | 120.3° | 120.0° |
| S1 | C24 | C25 | N5 | 119.8° | 0.0° |
| S1 | C24 | C25 | N3 | 59.9° | 180.0° |
| S1 | C24 | H39 | H40 | 118.9° | 120.0° |
| C24 | C25 | N5 | N3 | 179.7° | 180.0° |
| C24 | C25 | N3 | C32 | 178.9° | 180.0° |
| C25 | C24 | H39 | H40 | 119.0° | 119.9° |
| C24 | C25 | N3 | H54 | 1.2° | 0.0° |
| C24 | C25 | N5 | H57 | 179.8° | 180.0° |
| C25 | C24 | S1 | C6 | 79.2° | 180.0° |
| N5 | C25 | N3 | C32 | 0.8° | 0.0° |
| N5 | C25 | C24 | H39 | 0.6° | 120.1° |
| N5 | C25 | C24 | H40 | 119.9° | 120.0° |
| N5 | C25 | N3 | H54 | 179.2° | 180.0° |
| C25 | N3 | C32 | H54 | 179.9° | 180.0° |
| C25 | N3 | C32 | C31 | 155.5° | 180.0° |
| N3 | C25 | C24 | H39 | 179.7° | 59.9° |
| N3 | C25 | C24 | H40 | 60.4° | 60.0° |
| C25 | N3 | C32 | H52 | 35.6° | 60.0° |
| C25 | N3 | C32 | H53 | 84.5° | 60.0° |
| N3 | C25 | N5 | H57 | 0.1° | 0.0° |
| N3 | C32 | C31 | H52 | 120.0° | 120.0° |
| N3 | C32 | C31 | H53 | 120.0° | 120.0° |
| N3 | C32 | C31 | C30 | 35.8° | 180.0° |
| N3 | C32 | C31 | H50 | 155.8° | 60.0° |
| N3 | C32 | C31 | H51 | 84.2° | 60.0° |
| N3 | C32 | H52 | H53 | 120.2° | 120.0° |
| C32 | C31 | C30 | H50 | 120.1° | 120.0° |
| C32 | C31 | C30 | H51 | 120.0° | 120.0° |
| C32 | C31 | C30 | C29 | 137.1° | 180.0° |
| C32 | C31 | C30 | H48 | 17.1° | 60.0° |
| C32 | C31 | C30 | H49 | 102.9° | 60.0° |
| C32 | C31 | H50 | H51 | 119.9° | 120.0° |
| C31 | C32 | H52 | H53 | 120.2° | 120.0° |
| C31 | C32 | N3 | H54 | 24.6° | 0.0° |
| C31 | C30 | C29 | H48 | 120.0° | 119.9° |
| C31 | C30 | C29 | H49 | 120.1° | 120.1° |
| C31 | C30 | C29 | C27 | 71.9° | 180.0° |
| C31 | C30 | C29 | H46 | 48.2° | 60.0° |
| C31 | C30 | C29 | H47 | 168.2° | 60.0° |
| C31 | C30 | H48 | H49 | 120.1° | 120.0° |
| C30 | C31 | H50 | H51 | 120.0° | 120.0° |
| C30 | C31 | C32 | H52 | 84.2° | 60.0° |
| C30 | C31 | C32 | H53 | 155.8° | 59.9° |
| C30 | C29 | C27 | H46 | 120.0° | 120.0° |
| C30 | C29 | C27 | H47 | 120.0° | 120.0° |
| C30 | C29 | C27 | N2 | 79.4° | 65.0° |
| C30 | C29 | C27 | C28 | 160.3° | 175.0° |
| C30 | C29 | C27 | H45 | 40.6° | 55.0° |
| C30 | C29 | H46 | H47 | 120.1° | 120.0° |
| C29 | C30 | H48 | H49 | 119.9° | 120.0° |
| C29 | C30 | C31 | H50 | 102.9° | 60.0° |
| C29 | C30 | C31 | H51 | 17.1° | 60.0° |
| C29 | C27 | N2 | C33 | 134.3° | 155.0° |
| C29 | C27 | N2 | C28 | 121.1° | 120.0° |
| C29 | C27 | N2 | H45 | 119.5° | 119.9° |
| C29 | C27 | C28 | H45 | 119.8° | 120.0° |
| C29 | C27 | C28 | N4 | 141.1° | 60.0° |
| C29 | C27 | C28 | O20 | 39.7° | 120.0° |
| C29 | C27 | N2 | H44 | 45.8° | 25.0° |
| C27 | C29 | H46 | H47 | 120.0° | 120.0° |
| C27 | C29 | C30 | H48 | 168.2° | 60.0° |
| C27 | C29 | C30 | H49 | 48.2° | 60.0° |
| C26 | C33 | O19 | N2 | 180.0° | 180.0° |
| C26 | C33 | N2 | C27 | 0.4° | 180.0° |
| C33 | C26 | H41 | H42 | 119.9° | 120.1° |
| C33 | C26 | H41 | H43 | 120.0° | 120.0° |
| C33 | C26 | H42 | H43 | 120.0° | 120.0° |
| C26 | C33 | N2 | H44 | 179.7° | 0.0° |
| O19 | C33 | N2 | C27 | 179.6° | 0.0° |
| O19 | C33 | C26 | H41 | 0.0° | 90.0° |
| O19 | C33 | C26 | H42 | 120.0° | 150.0° |
| O19 | C33 | C26 | H43 | 120.0° | 30.0° |
| O19 | C33 | N2 | H44 | 0.4° | 180.0° |
| C33 | N2 | C27 | H44 | 180.0° | 180.0° |
| C33 | N2 | C27 | C28 | 104.6° | 85.0° |
| N2 | C33 | C26 | H41 | 180.0° | 90.0° |
| N2 | C33 | C26 | H42 | 60.0° | 30.0° |
| N2 | C33 | C26 | H43 | 60.0° | 150.0° |
| C33 | N2 | C27 | H45 | 14.8° | 35.1° |
| N2 | C27 | C28 | H45 | 120.1° | 120.0° |
| N2 | C27 | C28 | N4 | 98.8° | 180.0° |
| N2 | C27 | C28 | O20 | 80.5° | 0.0° |
| N2 | C27 | C29 | H46 | 160.6° | 55.0° |
| N2 | C27 | C29 | H47 | 40.6° | 175.1° |
| C27 | C28 | N4 | O20 | 179.3° | 180.0° |
| C28 | C27 | N2 | H44 | 75.3° | 95.0° |
| C28 | C27 | C29 | H46 | 40.3° | 65.0° |
| C28 | C27 | C29 | H47 | 79.7° | 55.1° |
| C27 | C28 | N4 | H55 | 179.3° | 0.0° |
| C27 | C28 | N4 | H56 | 0.7° | 180.0° |
| N4 | C28 | C27 | H45 | 21.2° | 59.9° |
| C28 | N4 | H55 | H56 | 179.9° | 179.9° |
| O20 | C28 | C27 | H45 | 159.5° | 120.0° |
| O20 | C28 | N4 | H55 | 0.1° | 180.0° |
| O20 | C28 | N4 | H56 | 180.0° | 0.1° |
| H39 | C24 | S1 | C6 | 41.2° | 60.0° |
| H40 | C24 | S1 | C6 | 160.5° | 59.9° |
| H41 | C26 | H42 | H43 | 120.0° | 120.0° |
| H44 | N2 | C27 | H45 | 165.2° | 145.0° |
| H45 | C27 | C29 | H46 | 79.4° | 175.0° |
| H45 | C27 | C29 | H47 | 160.6° | 65.0° |
| H46 | C29 | C30 | H48 | 71.8° | 180.0° |
| H46 | C29 | C30 | H49 | 168.2° | 60.0° |
| H47 | C29 | C30 | H48 | 48.2° | 59.9° |
| H47 | C29 | C30 | H49 | 71.7° | 180.0° |
| H48 | C30 | C31 | H50 | 137.2° | 180.0° |
| H48 | C30 | C31 | H51 | 102.9° | 60.0° |
| H49 | C30 | C31 | H50 | 17.1° | 60.0° |
| H49 | C30 | C31 | H51 | 137.1° | 180.0° |
| H50 | C31 | C32 | H52 | 35.9° | 180.0° |
| H50 | C31 | C32 | H53 | 84.2° | 60.0° |
| H51 | C31 | C32 | H52 | 155.8° | 60.0° |
| H51 | C31 | C32 | H53 | 35.7° | 180.0° |
| H52 | C32 | N3 | H54 | 144.5° | 120.0° |
| H53 | C32 | N3 | H54 | 95.4° | 120.0° |
