PRD_002312
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| N1 | C6 | sing | 1.35Å | 1.34Å | |
| C1 | C6 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| O2 | C2 | doub | 1.21Å | 1.23Å | |
| C6 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.48Å | 1.46Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | O3 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.48Å | 1.47Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | O5 | doub | 1.21Å | 1.25Å | |
| C15 | O6 | sing | 1.34Å | 1.24Å | |
| O6 | H23 | sing | 0.97Å | 0.95Å | |
| N4 | C16 | sing | 1.48Å | 1.47Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C16 | C18 | sing | 1.53Å | 1.56Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | O7 | doub | 1.21Å | 1.24Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | C21 | sing | 1.53Å | 1.49Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| N5 | C22 | sing | 1.48Å | 1.45Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | O8 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | O9 | doub | 1.21Å | 1.24Å | |
| C25 | N6 | sing | 1.35Å | 1.31Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å | |
| N7 | C26 | sing | 1.48Å | 1.47Å | |
| N7 | H41 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.55Å | |
| C26 | C28 | sing | 1.53Å | 1.54Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | O10 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.51Å | 1.49Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | O11 | doub | 1.21Å | 1.24Å | |
| C29 | N8 | sing | 1.35Å | 1.32Å | |
| N8 | H45 | sing | 0.97Å | 1.00Å | |
| N8 | H46 | sing | 0.97Å | 1.00Å | |
| N9 | C30 | sing | 1.48Å | 1.45Å | |
| N9 | H47 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | O12 | doub | 1.21Å | 1.23Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | O13 | doub | 1.21Å | 1.21Å | |
| C33 | N10 | sing | 1.35Å | 1.31Å | |
| N10 | H51 | sing | 0.97Å | 1.00Å | |
| N10 | H52 | sing | 0.97Å | 1.00Å | |
| N11 | C34 | sing | 1.48Å | 1.47Å | |
| N11 | H53 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C35 | O14 | doub | 1.21Å | 1.23Å | |
| C35 | N12 | sing | 1.35Å | 1.32Å | |
| C36 | S1 | sing | 1.80Å | 1.80Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| N12 | H57 | sing | 0.97Å | 1.00Å | |
| N12 | H58 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.36Å | 1.30Å | |
| C5 | S1 | sing | 1.81Å | 1.69Å | |
| C8 | N3 | sing | 1.37Å | 1.34Å | |
| C13 | N4 | sing | 1.36Å | 1.34Å | |
| C17 | N5 | sing | 1.36Å | 1.34Å | |
| C23 | N7 | sing | 1.36Å | 1.34Å | |
| C27 | N9 | sing | 1.37Å | 1.33Å | |
| C31 | N11 | sing | 1.36Å | 1.41Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 113.1° | 109.4° |
| C5 | C4 | H6 | 108.6° | 109.5° |
| C5 | C4 | H7 | 108.5° | 109.5° |
| C4 | C5 | H8 | 106.6° | 109.5° |
| C4 | C5 | H9 | 106.5° | 109.5° |
| C4 | C5 | S1 | 121.0° | 109.5° |
| C4 | C3 | N1 | 110.5° | 109.5° |
| C4 | C3 | C2 | 112.3° | 109.5° |
| C4 | C3 | H5 | 108.2° | 109.5° |
| C3 | C4 | H6 | 108.5° | 109.5° |
| C3 | C4 | H7 | 108.6° | 109.4° |
| C3 | N1 | C6 | 122.7° | 120.0° |
| N1 | C3 | C2 | 108.3° | 109.4° |
| C3 | N1 | H4 | 118.6° | 120.0° |
| N1 | C3 | H5 | 109.2° | 109.4° |
| N1 | C6 | C1 | 115.8° | 120.0° |
| N1 | C6 | O1 | 122.3° | 120.0° |
| C6 | N1 | H4 | 118.7° | 120.0° |
| C1 | C6 | O1 | 121.9° | 120.0° |
| C6 | C1 | H1 | 109.5° | 109.4° |
| C6 | C1 | H2 | 109.5° | 109.5° |
| C6 | C1 | H3 | 109.5° | 109.5° |
| C3 | C2 | O2 | 120.9° | 120.5° |
| C2 | C3 | H5 | 108.2° | 109.5° |
| C3 | C2 | N2 | 117.2° | 119.0° |
| O2 | C2 | N2 | 115.6° | 120.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H8 | C5 | S1 | 106.5° | 109.5° |
| H9 | C5 | S1 | 106.5° | 109.5° |
| C7 | N2 | H10 | 110.8° | 121.7° |
| N2 | C7 | C8 | 109.9° | 108.8° |
| N2 | C7 | C9 | 110.1° | 109.5° |
| N2 | C7 | H11 | 108.5° | 109.6° |
| C7 | N2 | C2 | 138.4° | 116.6° |
| H10 | N2 | C2 | 110.8° | 121.7° |
| C8 | C7 | C9 | 113.4° | 109.6° |
| C8 | C7 | H11 | 107.5° | 109.6° |
| C7 | C8 | O3 | 119.7° | 120.6° |
| C7 | C8 | N3 | 117.1° | 118.8° |
| C9 | C7 | H11 | 107.4° | 109.7° |
| C7 | C9 | C10 | 112.0° | 109.5° |
| C7 | C9 | C11 | 110.4° | 109.5° |
| C7 | C9 | H12 | 107.7° | 109.5° |
| O3 | C8 | N3 | 123.2° | 120.6° |
| C10 | C9 | C11 | 110.8° | 109.5° |
| C10 | C9 | H12 | 107.9° | 109.5° |
| C9 | C10 | H13 | 109.5° | 109.5° |
| C9 | C10 | H14 | 109.5° | 109.5° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C11 | C9 | H12 | 107.9° | 109.4° |
| C9 | C11 | H16 | 109.5° | 109.5° |
| C9 | C11 | H17 | 109.5° | 109.5° |
| C9 | C11 | H18 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H15 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H18 | 109.4° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| C12 | N3 | H19 | 118.2° | 122.2° |
| N3 | C12 | C13 | 113.6° | 108.5° |
| N3 | C12 | C14 | 110.4° | 109.6° |
| N3 | C12 | H20 | 108.0° | 109.6° |
| C12 | N3 | C8 | 123.6° | 115.6° |
| H19 | N3 | C8 | 118.2° | 122.2° |
| C13 | C12 | C14 | 110.3° | 109.6° |
| C13 | C12 | H20 | 107.0° | 109.7° |
| C12 | C13 | O4 | 120.0° | 120.4° |
| C12 | C13 | N4 | 117.0° | 119.1° |
| C14 | C12 | H20 | 107.3° | 109.8° |
| C12 | C14 | C15 | 110.7° | 109.5° |
| C12 | C14 | H21 | 109.2° | 109.5° |
| C12 | C14 | H22 | 109.2° | 109.4° |
| O4 | C13 | N4 | 122.9° | 120.4° |
| C15 | C14 | H21 | 109.2° | 109.5° |
| C15 | C14 | H22 | 109.2° | 109.4° |
| C14 | C15 | O5 | 118.0° | 120.0° |
| C14 | C15 | O6 | 118.0° | 120.0° |
| H21 | C14 | H22 | 109.4° | 109.6° |
| O5 | C15 | O6 | 123.8° | 120.0° |
| C15 | O6 | H23 | 109.5° | 117.0° |
| C16 | N4 | H24 | 118.6° | 121.6° |
| N4 | C16 | C17 | 113.9° | 108.9° |
| N4 | C16 | C18 | 110.6° | 109.6° |
| N4 | C16 | H25 | 107.3° | 109.5° |
| C16 | N4 | C13 | 122.8° | 116.7° |
| H24 | N4 | C13 | 118.6° | 121.7° |
| C17 | C16 | C18 | 112.1° | 109.6° |
| C17 | C16 | H25 | 106.3° | 109.6° |
| C16 | C17 | O7 | 120.0° | 120.6° |
| C16 | C17 | N5 | 117.4° | 118.8° |
| C18 | C16 | H25 | 106.2° | 109.7° |
| C16 | C18 | C19 | 113.3° | 109.5° |
| C16 | C18 | C20 | 110.8° | 109.5° |
| C16 | C18 | H26 | 106.9° | 109.5° |
| O7 | C17 | N5 | 122.6° | 120.6° |
| C19 | C18 | C20 | 111.3° | 109.5° |
| C19 | C18 | H26 | 107.0° | 109.5° |
| C18 | C19 | C21 | 116.0° | 109.5° |
| C18 | C19 | H27 | 107.8° | 109.5° |
| C18 | C19 | H28 | 107.8° | 109.5° |
| C20 | C18 | H26 | 107.2° | 109.4° |
| C18 | C20 | H29 | 109.5° | 109.5° |
| C18 | C20 | H30 | 109.5° | 109.5° |
| C18 | C20 | H31 | 109.5° | 109.5° |
| C21 | C19 | H27 | 107.8° | 109.5° |
| C21 | C19 | H28 | 107.8° | 109.5° |
| C19 | C21 | H32 | 109.5° | 109.5° |
| C19 | C21 | H33 | 109.5° | 109.4° |
| C19 | C21 | H34 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.5° | 109.4° |
| H29 | C20 | H31 | 109.5° | 109.4° |
| H30 | C20 | H31 | 109.4° | 109.4° |
| H32 | C21 | H33 | 109.5° | 109.4° |
| H32 | C21 | H34 | 109.4° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.5° |
| C22 | N5 | H35 | 119.0° | 122.2° |
| N5 | C22 | C23 | 112.0° | 108.7° |
| N5 | C22 | C24 | 110.6° | 109.6° |
| N5 | C22 | H36 | 107.4° | 109.6° |
| C22 | N5 | C17 | 122.0° | 115.5° |
| H35 | N5 | C17 | 119.0° | 122.2° |
| C23 | C22 | C24 | 113.5° | 109.6° |
| C23 | C22 | H36 | 106.5° | 109.5° |
| C22 | C23 | O8 | 121.1° | 120.5° |
| C22 | C23 | N7 | 116.3° | 119.1° |
| C24 | C22 | H36 | 106.4° | 109.7° |
| C22 | C24 | C25 | 111.0° | 109.5° |
| C22 | C24 | H37 | 109.1° | 109.5° |
| C22 | C24 | H38 | 109.1° | 109.5° |
| O8 | C23 | N7 | 122.5° | 120.5° |
| C25 | C24 | H37 | 109.1° | 109.4° |
| C25 | C24 | H38 | 109.1° | 109.5° |
| C24 | C25 | O9 | 121.2° | 120.0° |
| C24 | C25 | N6 | 117.7° | 120.0° |
| H37 | C24 | H38 | 109.5° | 109.5° |
| O9 | C25 | N6 | 121.1° | 120.0° |
| C25 | N6 | H39 | 120.0° | 120.0° |
| C25 | N6 | H40 | 120.0° | 120.0° |
| H39 | N6 | H40 | 120.0° | 120.0° |
| C26 | N7 | H41 | 117.8° | 121.7° |
| N7 | C26 | C27 | 112.9° | 108.9° |
| N7 | C26 | C28 | 111.2° | 109.6° |
| N7 | C26 | H42 | 107.2° | 109.6° |
| C26 | N7 | C23 | 124.3° | 116.6° |
| H41 | N7 | C23 | 117.8° | 121.6° |
| C27 | C26 | C28 | 112.6° | 109.6° |
| C27 | C26 | H42 | 106.3° | 109.6° |
| C26 | C27 | O10 | 120.7° | 120.6° |
| C26 | C27 | N9 | 117.3° | 118.8° |
| C28 | C26 | H42 | 106.3° | 109.7° |
| C26 | C28 | C29 | 115.1° | 109.5° |
| C26 | C28 | H43 | 108.0° | 109.5° |
| C26 | C28 | H44 | 108.0° | 109.5° |
| O10 | C27 | N9 | 122.0° | 120.5° |
| C29 | C28 | H43 | 108.0° | 109.5° |
| C29 | C28 | H44 | 108.0° | 109.4° |
| C28 | C29 | O11 | 121.7° | 120.0° |
| C28 | C29 | N8 | 115.9° | 120.0° |
| H43 | C28 | H44 | 109.5° | 109.4° |
| O11 | C29 | N8 | 122.3° | 120.0° |
| C29 | N8 | H45 | 120.0° | 120.0° |
| C29 | N8 | H46 | 120.0° | 120.0° |
| H45 | N8 | H46 | 120.0° | 119.9° |
| C30 | N9 | H47 | 119.4° | 122.2° |
| N9 | C30 | C31 | 110.1° | 108.7° |
| N9 | C30 | C32 | 110.5° | 109.6° |
| N9 | C30 | H48 | 108.6° | 109.6° |
| C30 | N9 | C27 | 121.2° | 115.6° |
| H47 | N9 | C27 | 119.4° | 122.2° |
| C31 | C30 | C32 | 112.4° | 109.6° |
| C31 | C30 | H48 | 107.5° | 109.6° |
| C30 | C31 | O12 | 119.2° | 120.4° |
| C30 | C31 | N11 | 125.7° | 119.2° |
| C32 | C30 | H48 | 107.6° | 109.7° |
| C30 | C32 | C33 | 112.0° | 109.4° |
| C30 | C32 | H49 | 108.9° | 109.5° |
| C30 | C32 | H50 | 108.8° | 109.4° |
| O12 | C31 | N11 | 114.5° | 120.4° |
| C33 | C32 | H49 | 108.8° | 109.5° |
| C33 | C32 | H50 | 108.8° | 109.5° |
| C32 | C33 | O13 | 121.0° | 120.0° |
| C32 | C33 | N10 | 118.2° | 120.0° |
| H49 | C32 | H50 | 109.5° | 109.6° |
| O13 | C33 | N10 | 120.7° | 120.0° |
| C33 | N10 | H51 | 120.0° | 120.0° |
| C33 | N10 | H52 | 120.0° | 120.0° |
| H51 | N10 | H52 | 120.0° | 120.0° |
| C34 | N11 | H53 | 119.4° | 121.7° |
| N11 | C34 | C35 | 115.4° | 109.6° |
| N11 | C34 | C36 | 111.7° | 108.9° |
| N11 | C34 | H54 | 107.1° | 109.5° |
| C34 | N11 | C31 | 121.1° | 116.7° |
| H53 | N11 | C31 | 119.5° | 121.7° |
| C35 | C34 | C36 | 109.3° | 109.6° |
| C35 | C34 | H54 | 106.5° | 109.6° |
| C34 | C35 | O14 | 120.3° | 120.0° |
| C34 | C35 | N12 | 116.3° | 120.0° |
| C36 | C34 | H54 | 106.5° | 109.7° |
| C34 | C36 | S1 | 114.5° | 109.3° |
| C34 | C36 | H55 | 108.2° | 109.4° |
| C34 | C36 | H56 | 108.2° | 109.5° |
| O14 | C35 | N12 | 123.3° | 120.0° |
| C35 | N12 | H57 | 120.0° | 120.1° |
| C35 | N12 | H58 | 120.0° | 120.0° |
| S1 | C36 | H55 | 108.2° | 110.1° |
| S1 | C36 | H56 | 108.2° | 109.1° |
| C36 | S1 | C5 | 104.7° | 102.8° |
| H55 | C36 | H56 | 109.5° | 109.5° |
| H57 | N12 | H58 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H6 | 120.5° | 120.0° |
| C5 | C4 | C3 | H7 | 120.5° | 120.0° |
| C5 | C4 | C3 | N1 | 176.9° | 84.2° |
| C5 | C4 | C3 | C2 | 55.8° | 155.9° |
| C5 | C4 | C3 | H5 | 63.6° | 35.8° |
| C5 | C4 | H6 | H7 | 118.3° | 120.0° |
| C4 | C5 | H8 | H9 | 114.8° | 120.0° |
| C4 | C5 | H8 | S1 | 130.4° | 120.0° |
| C4 | C5 | H9 | S1 | 130.4° | 120.0° |
| C4 | C5 | S1 | C36 | 46.0° | 121.6° |
| C4 | C3 | N1 | C2 | 123.5° | 120.0° |
| C4 | C3 | N1 | H5 | 118.9° | 120.0° |
| C4 | C3 | N1 | C6 | 153.3° | 155.0° |
| C4 | C3 | C2 | H5 | 119.4° | 120.1° |
| C4 | C3 | C2 | O2 | 25.2° | 72.5° |
| C4 | C3 | N1 | H4 | 26.7° | 25.0° |
| C3 | C4 | H6 | H7 | 118.3° | 120.0° |
| C3 | C4 | C5 | H8 | 89.5° | 48.5° |
| C3 | C4 | C5 | H9 | 27.3° | 71.5° |
| C4 | C3 | C2 | N2 | 125.8° | 107.1° |
| C3 | C4 | C5 | S1 | 148.9° | 168.5° |
| C3 | N1 | C6 | H4 | 180.0° | 180.0° |
| C3 | N1 | C6 | C1 | 174.0° | 180.0° |
| N1 | C3 | C2 | H5 | 118.2° | 119.9° |
| N1 | C3 | C2 | O2 | 97.2° | 47.5° |
| C3 | N1 | C6 | O1 | 5.4° | 0.0° |
| N1 | C3 | C4 | H6 | 56.3° | 35.9° |
| N1 | C3 | C4 | H7 | 62.6° | 155.9° |
| N1 | C3 | C2 | N2 | 111.8° | 132.9° |
| N1 | C6 | C1 | O1 | 179.4° | 179.9° |
| C6 | N1 | C3 | C2 | 83.2° | 85.0° |
| N1 | C6 | C1 | H1 | 179.4° | 90.0° |
| N1 | C6 | C1 | H2 | 59.4° | 150.0° |
| N1 | C6 | C1 | H3 | 60.6° | 29.9° |
| C6 | N1 | C3 | H5 | 34.4° | 35.0° |
| C6 | C1 | H1 | H2 | 120.0° | 120.0° |
| C6 | C1 | H1 | H3 | 120.0° | 120.0° |
| C6 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C6 | N1 | H4 | 6.0° | 0.0° |
| C3 | C2 | O2 | N2 | 151.4° | 179.7° |
| C2 | C3 | N1 | H4 | 96.8° | 95.0° |
| C2 | C3 | C4 | H6 | 64.8° | 84.1° |
| C2 | C3 | C4 | H7 | 176.3° | 35.9° |
| C3 | C2 | N2 | C7 | 170.6° | 180.0° |
| C3 | C2 | N2 | H10 | 9.4° | 0.0° |
| O2 | C2 | C3 | H5 | 144.5° | 167.4° |
| O2 | C2 | N2 | C7 | 18.1° | 0.3° |
| O2 | C2 | N2 | H10 | 161.9° | 179.7° |
| O1 | C6 | C1 | H1 | 0.0° | 90.0° |
| O1 | C6 | C1 | H2 | 120.0° | 30.0° |
| O1 | C6 | C1 | H3 | 120.0° | 150.0° |
| O1 | C6 | N1 | H4 | 174.6° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | N1 | C3 | H5 | 145.6° | 145.0° |
| H5 | C3 | C4 | H6 | 175.9° | 155.9° |
| H5 | C3 | C4 | H7 | 56.9° | 84.1° |
| H5 | C3 | C2 | N2 | 6.5° | 12.9° |
| H6 | C4 | C5 | H8 | 31.0° | 168.5° |
| H6 | C4 | C5 | H9 | 147.9° | 48.5° |
| H6 | C4 | C5 | S1 | 90.5° | 71.5° |
| H7 | C4 | C5 | H8 | 150.0° | 71.4° |
| H7 | C4 | C5 | H9 | 93.2° | 168.5° |
| H7 | C4 | C5 | S1 | 28.4° | 48.6° |
| H8 | C5 | H9 | S1 | 114.8° | 120.0° |
| H8 | C5 | S1 | C36 | 167.6° | 1.6° |
| H9 | C5 | S1 | C36 | 75.6° | 118.4° |
| C7 | N2 | H10 | C2 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 123.6° | 119.7° |
| N2 | C7 | C8 | H11 | 117.8° | 119.8° |
| N2 | C7 | C9 | H11 | 117.9° | 120.3° |
| N2 | C7 | C8 | O3 | 136.6° | 56.2° |
| N2 | C7 | C9 | C10 | 169.1° | 55.4° |
| N2 | C7 | C9 | C11 | 66.9° | 175.4° |
| N2 | C7 | C9 | H12 | 50.6° | 64.7° |
| N2 | C7 | C8 | N3 | 41.6° | 123.8° |
| H10 | N2 | C7 | C8 | 100.9° | 7.5° |
| H10 | N2 | C7 | C9 | 24.7° | 127.2° |
| H10 | N2 | C7 | H11 | 141.9° | 112.4° |
| C8 | C7 | C9 | H11 | 118.6° | 120.4° |
| C7 | C8 | O3 | N3 | 178.2° | 180.0° |
| C8 | C7 | C9 | C10 | 45.6° | 63.9° |
| C8 | C7 | C9 | C11 | 169.5° | 56.1° |
| C8 | C7 | C9 | H12 | 72.9° | 176.1° |
| C7 | C8 | N3 | C12 | 179.5° | 179.7° |
| C7 | C8 | N3 | H19 | 0.5° | 0.3° |
| C8 | C7 | N2 | C2 | 79.1° | 172.5° |
| C9 | C7 | C8 | O3 | 99.7° | 63.5° |
| C7 | C9 | C10 | C11 | 123.8° | 120.0° |
| C7 | C9 | C10 | H12 | 118.3° | 120.1° |
| C7 | C9 | C11 | H12 | 117.4° | 120.0° |
| C7 | C9 | C10 | H13 | 180.0° | 60.0° |
| C7 | C9 | C10 | H14 | 60.0° | 180.0° |
| C7 | C9 | C10 | H15 | 60.0° | 60.0° |
| C7 | C9 | C11 | H16 | 180.0° | 64.4° |
| C7 | C9 | C11 | H17 | 60.0° | 175.6° |
| C7 | C9 | C11 | H18 | 60.0° | 55.6° |
| C9 | C7 | N2 | C2 | 155.3° | 52.7° |
| C9 | C7 | C8 | N3 | 82.0° | 116.5° |
| H11 | C7 | C8 | O3 | 18.8° | 176.0° |
| H11 | C7 | C9 | C10 | 73.0° | 175.7° |
| H11 | C7 | C9 | C11 | 51.0° | 64.3° |
| H11 | C7 | C9 | H12 | 168.5° | 55.7° |
| H11 | C7 | N2 | C2 | 38.1° | 67.7° |
| H11 | C7 | C8 | N3 | 159.5° | 4.0° |
| O3 | C8 | N3 | C12 | 1.3° | 0.3° |
| O3 | C8 | N3 | H19 | 178.7° | 179.7° |
| C10 | C9 | C11 | H12 | 118.0° | 120.0° |
| C9 | C10 | H13 | H14 | 120.0° | 120.0° |
| C9 | C10 | H13 | H15 | 120.0° | 120.0° |
| C9 | C10 | H14 | H15 | 120.0° | 120.0° |
| C10 | C9 | C11 | H16 | 55.4° | 175.6° |
| C10 | C9 | C11 | H17 | 64.6° | 55.5° |
| C10 | C9 | C11 | H18 | 175.3° | 64.4° |
| C11 | C9 | C10 | H13 | 56.2° | 60.0° |
| C11 | C9 | C10 | H14 | 176.3° | 60.0° |
| C11 | C9 | C10 | H15 | 63.8° | 180.0° |
| C9 | C11 | H16 | H17 | 120.0° | 120.0° |
| C9 | C11 | H16 | H18 | 120.0° | 120.0° |
| C9 | C11 | H17 | H18 | 120.0° | 119.9° |
| H12 | C9 | C10 | H13 | 61.7° | 180.0° |
| H12 | C9 | C10 | H14 | 58.3° | 60.0° |
| H12 | C9 | C10 | H15 | 178.3° | 60.0° |
| H12 | C9 | C11 | H16 | 62.6° | 55.6° |
| H12 | C9 | C11 | H17 | 177.4° | 64.4° |
| H12 | C9 | C11 | H18 | 57.4° | 175.6° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
| H16 | C11 | H17 | H18 | 120.0° | 120.0° |
| C12 | N3 | H19 | C8 | 180.0° | 180.0° |
| N3 | C12 | C13 | C14 | 124.6° | 119.7° |
| N3 | C12 | C13 | H20 | 119.1° | 119.7° |
| N3 | C12 | C14 | H20 | 117.4° | 120.5° |
| N3 | C12 | C13 | O4 | 51.9° | 55.2° |
| N3 | C12 | C14 | C15 | 167.7° | 52.9° |
| N3 | C12 | C14 | H21 | 47.5° | 172.9° |
| N3 | C12 | C14 | H22 | 72.1° | 67.0° |
| N3 | C12 | C13 | N4 | 129.0° | 124.8° |
| H19 | N3 | C12 | C13 | 129.0° | 26.6° |
| H19 | N3 | C12 | C14 | 4.5° | 146.3° |
| H19 | N3 | C12 | H20 | 112.4° | 93.2° |
| C13 | C12 | C14 | H20 | 116.2° | 120.5° |
| C12 | C13 | O4 | N4 | 179.1° | 179.9° |
| C13 | C12 | C14 | C15 | 65.9° | 66.1° |
| C13 | C12 | C14 | H21 | 173.9° | 53.9° |
| C13 | C12 | C14 | H22 | 54.3° | 173.9° |
| C12 | C13 | N4 | C16 | 177.3° | 179.6° |
| C12 | C13 | N4 | H24 | 2.7° | 0.4° |
| C13 | C12 | N3 | C8 | 51.0° | 153.4° |
| C14 | C12 | C13 | O4 | 72.7° | 175.0° |
| C12 | C14 | C15 | H21 | 120.2° | 120.0° |
| C12 | C14 | C15 | H22 | 120.2° | 119.9° |
| C12 | C14 | H21 | H22 | 119.5° | 120.0° |
| C12 | C14 | C15 | O5 | 87.5° | 0.1° |
| C12 | C14 | C15 | O6 | 87.0° | 179.8° |
| C14 | C12 | N3 | C8 | 175.5° | 33.7° |
| C14 | C12 | C13 | N4 | 106.5° | 5.1° |
| H20 | C12 | C13 | O4 | 171.0° | 64.5° |
| H20 | C12 | C14 | C15 | 50.3° | 173.4° |
| H20 | C12 | C14 | H21 | 69.9° | 66.6° |
| H20 | C12 | C14 | H22 | 170.5° | 53.5° |
| H20 | C12 | N3 | C8 | 67.6° | 86.8° |
| H20 | C12 | C13 | N4 | 9.9° | 115.4° |
| O4 | C13 | N4 | C16 | 3.6° | 0.4° |
| O4 | C13 | N4 | H24 | 176.4° | 179.5° |
| C15 | C14 | H21 | H22 | 119.4° | 120.0° |
| C14 | C15 | O5 | O6 | 174.1° | 180.0° |
| C14 | C15 | O6 | H23 | 174.1° | 179.9° |
| H21 | C14 | C15 | O5 | 152.3° | 120.2° |
| H21 | C14 | C15 | O6 | 33.2° | 59.8° |
| H22 | C14 | C15 | O5 | 32.7° | 119.8° |
| H22 | C14 | C15 | O6 | 152.8° | 60.3° |
| O5 | C15 | O6 | H23 | 0.0° | 0.0° |
| C16 | N4 | H24 | C13 | 180.0° | 179.9° |
| N4 | C16 | C17 | C18 | 126.5° | 119.8° |
| N4 | C16 | C17 | H25 | 117.9° | 119.8° |
| N4 | C16 | C18 | H25 | 116.0° | 120.3° |
| N4 | C16 | C17 | O7 | 173.3° | 40.6° |
| N4 | C16 | C18 | C19 | 46.4° | 174.1° |
| N4 | C16 | C18 | C20 | 79.5° | 65.9° |
| N4 | C16 | C18 | H26 | 164.0° | 54.1° |
| N4 | C16 | C17 | N5 | 4.3° | 139.4° |
| H24 | N4 | C16 | C17 | 83.8° | 28.1° |
| H24 | N4 | C16 | C18 | 43.4° | 91.7° |
| H24 | N4 | C16 | H25 | 158.8° | 147.9° |
| C17 | C16 | C18 | H25 | 115.7° | 120.3° |
| C16 | C17 | O7 | N5 | 177.5° | 180.0° |
| C17 | C16 | C18 | C19 | 81.8° | 66.6° |
| C17 | C16 | C18 | C20 | 152.2° | 53.5° |
| C17 | C16 | C18 | H26 | 35.8° | 173.4° |
| C16 | C17 | N5 | C22 | 178.9° | 180.0° |
| C16 | C17 | N5 | H35 | 1.1° | 0.0° |
| C17 | C16 | N4 | C13 | 96.2° | 151.9° |
| C18 | C16 | C17 | O7 | 46.8° | 79.2° |
| C16 | C18 | C19 | C20 | 125.6° | 120.0° |
| C16 | C18 | C19 | H26 | 117.5° | 120.0° |
| C16 | C18 | C20 | H26 | 116.3° | 120.0° |
| C16 | C18 | C19 | C21 | 71.5° | 66.5° |
| C16 | C18 | C19 | H27 | 167.6° | 173.5° |
| C16 | C18 | C19 | H28 | 49.5° | 53.4° |
| C16 | C18 | C20 | H29 | 180.0° | 60.0° |
| C16 | C18 | C20 | H30 | 60.0° | 180.0° |
| C16 | C18 | C20 | H31 | 60.0° | 60.0° |
| C18 | C16 | N4 | C13 | 136.6° | 88.3° |
| C18 | C16 | C17 | N5 | 130.8° | 100.8° |
| H25 | C16 | C17 | O7 | 68.8° | 160.4° |
| H25 | C16 | C18 | C19 | 162.4° | 53.8° |
| H25 | C16 | C18 | C20 | 36.5° | 173.8° |
| H25 | C16 | C18 | H26 | 79.9° | 66.2° |
| H25 | C16 | N4 | C13 | 21.2° | 32.1° |
| H25 | C16 | C17 | N5 | 113.6° | 19.6° |
| O7 | C17 | N5 | C22 | 3.5° | 0.0° |
| O7 | C17 | N5 | H35 | 176.5° | 180.0° |
| C19 | C18 | C20 | H26 | 116.7° | 120.0° |
| C18 | C19 | C21 | H27 | 121.0° | 120.0° |
| C18 | C19 | C21 | H28 | 121.0° | 120.0° |
| C18 | C19 | H27 | H28 | 117.0° | 120.0° |
| C19 | C18 | C20 | H29 | 53.0° | 60.0° |
| C19 | C18 | C20 | H30 | 173.0° | 60.0° |
| C19 | C18 | C20 | H31 | 67.0° | 180.0° |
| C18 | C19 | C21 | H32 | 180.0° | 64.1° |
| C18 | C19 | C21 | H33 | 60.0° | 176.0° |
| C18 | C19 | C21 | H34 | 60.0° | 56.0° |
| C20 | C18 | C19 | C21 | 162.9° | 173.4° |
| C20 | C18 | C19 | H27 | 42.0° | 53.4° |
| C20 | C18 | C19 | H28 | 76.1° | 66.6° |
| C18 | C20 | H29 | H30 | 120.0° | 120.1° |
| C18 | C20 | H29 | H31 | 120.0° | 120.0° |
| C18 | C20 | H30 | H31 | 120.0° | 120.0° |
| H26 | C18 | C19 | C21 | 46.1° | 53.5° |
| H26 | C18 | C19 | H27 | 74.9° | 66.5° |
| H26 | C18 | C19 | H28 | 167.0° | 173.4° |
| H26 | C18 | C20 | H29 | 63.7° | 180.0° |
| H26 | C18 | C20 | H30 | 56.3° | 60.0° |
| H26 | C18 | C20 | H31 | 176.2° | 60.0° |
| C21 | C19 | H27 | H28 | 117.0° | 120.0° |
| C19 | C21 | H32 | H33 | 120.0° | 120.0° |
| C19 | C21 | H32 | H34 | 120.0° | 120.0° |
| C19 | C21 | H33 | H34 | 120.0° | 120.0° |
| H27 | C19 | C21 | H32 | 59.0° | 56.0° |
| H27 | C19 | C21 | H33 | 179.0° | 64.0° |
| H27 | C19 | C21 | H34 | 60.9° | 176.0° |
| H28 | C19 | C21 | H32 | 59.0° | 176.0° |
| H28 | C19 | C21 | H33 | 60.9° | 56.0° |
| H28 | C19 | C21 | H34 | 179.0° | 64.0° |
| H29 | C20 | H30 | H31 | 120.0° | 119.9° |
| H32 | C21 | H33 | H34 | 120.0° | 120.0° |
| C22 | N5 | H35 | C17 | 180.0° | 180.0° |
| N5 | C22 | C23 | C24 | 126.1° | 119.8° |
| N5 | C22 | C23 | H36 | 117.2° | 119.8° |
| N5 | C22 | C24 | H36 | 116.4° | 120.4° |
| N5 | C22 | C23 | O8 | 154.0° | 37.1° |
| N5 | C22 | C24 | C25 | 87.2° | 54.6° |
| N5 | C22 | C24 | H37 | 33.0° | 174.6° |
| N5 | C22 | C24 | H38 | 152.6° | 65.4° |
| N5 | C22 | C23 | N7 | 27.0° | 142.9° |
| H35 | N5 | C22 | C23 | 65.5° | 38.5° |
| H35 | N5 | C22 | C24 | 62.1° | 158.4° |
| H35 | N5 | C22 | H36 | 177.8° | 81.2° |
| C23 | C22 | C24 | H36 | 116.8° | 120.3° |
| C22 | C23 | O8 | N7 | 178.9° | 180.0° |
| C23 | C22 | C24 | C25 | 146.0° | 64.6° |
| C23 | C22 | C24 | H37 | 93.8° | 55.4° |
| C23 | C22 | C24 | H38 | 25.7° | 175.4° |
| C22 | C23 | N7 | C26 | 179.9° | 179.9° |
| C22 | C23 | N7 | H41 | 0.1° | 0.1° |
| C23 | C22 | N5 | C17 | 114.5° | 141.5° |
| C24 | C22 | C23 | O8 | 27.9° | 156.9° |
| C22 | C24 | C25 | H37 | 120.2° | 120.0° |
| C22 | C24 | C25 | H38 | 120.2° | 120.0° |
| C22 | C24 | H37 | H38 | 119.3° | 120.0° |
| C22 | C24 | C25 | O9 | 42.8° | 4.8° |
| C22 | C24 | C25 | N6 | 139.0° | 175.2° |
| C24 | C22 | N5 | C17 | 117.9° | 21.6° |
| C24 | C22 | C23 | N7 | 153.1° | 23.1° |
| H36 | C22 | C23 | O8 | 88.8° | 82.6° |
| H36 | C22 | C24 | C25 | 29.2° | 175.1° |
| H36 | C22 | C24 | H37 | 149.4° | 65.0° |
| H36 | C22 | C24 | H38 | 91.1° | 55.0° |
| H36 | C22 | N5 | C17 | 2.2° | 98.8° |
| H36 | C22 | C23 | N7 | 90.1° | 97.4° |
| O8 | C23 | N7 | C26 | 0.9° | 0.1° |
| O8 | C23 | N7 | H41 | 179.1° | 179.9° |
| C25 | C24 | H37 | H38 | 119.3° | 120.0° |
| C24 | C25 | O9 | N6 | 178.2° | 180.0° |
| C24 | C25 | N6 | H39 | 178.3° | 0.0° |
| C24 | C25 | N6 | H40 | 1.7° | 180.0° |
| H37 | C24 | C25 | O9 | 163.0° | 115.2° |
| H37 | C24 | C25 | N6 | 18.7° | 64.8° |
| H38 | C24 | C25 | O9 | 77.5° | 124.8° |
| H38 | C24 | C25 | N6 | 100.8° | 55.2° |
| O9 | C25 | N6 | H39 | 0.0° | 180.0° |
| O9 | C25 | N6 | H40 | 180.0° | 0.0° |
| C25 | N6 | H39 | H40 | 180.0° | 180.0° |
| C26 | N7 | H41 | C23 | 180.0° | 180.0° |
| N7 | C26 | C27 | C28 | 126.9° | 119.8° |
| N7 | C26 | C27 | H42 | 117.2° | 119.8° |
| N7 | C26 | C28 | H42 | 116.3° | 120.3° |
| N7 | C26 | C27 | O10 | 146.0° | 25.2° |
| N7 | C26 | C28 | C29 | 158.0° | 55.5° |
| N7 | C26 | C28 | H43 | 37.2° | 175.6° |
| N7 | C26 | C28 | H44 | 81.2° | 64.5° |
| N7 | C26 | C27 | N9 | 36.8° | 154.9° |
| H41 | N7 | C26 | C27 | 122.6° | 38.4° |
| H41 | N7 | C26 | C28 | 109.8° | 81.4° |
| H41 | N7 | C26 | H42 | 6.0° | 158.2° |
| C27 | C26 | C28 | H42 | 115.9° | 120.3° |
| C26 | C27 | O10 | N9 | 177.1° | 179.9° |
| C27 | C26 | C28 | C29 | 74.2° | 63.9° |
| C27 | C26 | C28 | H43 | 165.0° | 56.2° |
| C27 | C26 | C28 | H44 | 46.6° | 176.2° |
| C26 | C27 | N9 | C30 | 178.1° | 179.9° |
| C26 | C27 | N9 | H47 | 1.9° | 0.0° |
| C27 | C26 | N7 | C23 | 57.4° | 141.7° |
| C28 | C26 | C27 | O10 | 19.1° | 94.6° |
| C26 | C28 | C29 | H43 | 120.8° | 120.1° |
| C26 | C28 | C29 | H44 | 120.8° | 120.0° |
| C26 | C28 | H43 | H44 | 117.5° | 120.0° |
| C26 | C28 | C29 | O11 | 48.2° | 0.2° |
| C26 | C28 | C29 | N8 | 132.9° | 179.8° |
| C28 | C26 | N7 | C23 | 70.2° | 98.5° |
| C28 | C26 | C27 | N9 | 163.7° | 85.3° |
| H42 | C26 | C27 | O10 | 96.8° | 145.0° |
| H42 | C26 | C28 | C29 | 41.7° | 175.8° |
| H42 | C26 | C28 | H43 | 79.1° | 64.1° |
| H42 | C26 | C28 | H44 | 162.5° | 55.9° |
| H42 | C26 | N7 | C23 | 174.0° | 21.9° |
| H42 | C26 | C27 | N9 | 80.4° | 35.1° |
| O10 | C27 | N9 | C30 | 0.9° | 0.2° |
| O10 | C27 | N9 | H47 | 179.0° | 179.9° |
| C29 | C28 | H43 | H44 | 117.4° | 119.9° |
| C28 | C29 | O11 | N8 | 178.8° | 180.0° |
| C28 | C29 | N8 | H45 | 178.9° | 0.0° |
| C28 | C29 | N8 | H46 | 1.1° | 180.0° |
| H43 | C28 | C29 | O11 | 72.6° | 120.2° |
| H43 | C28 | C29 | N8 | 106.3° | 59.8° |
| H44 | C28 | C29 | O11 | 169.0° | 119.8° |
| H44 | C28 | C29 | N8 | 12.1° | 60.2° |
| O11 | C29 | N8 | H45 | 0.0° | 180.0° |
| O11 | C29 | N8 | H46 | 180.0° | 0.0° |
| C29 | N8 | H45 | H46 | 180.0° | 179.9° |
| C30 | N9 | H47 | C27 | 180.0° | 179.8° |
| N9 | C30 | C31 | C32 | 123.6° | 119.7° |
| N9 | C30 | C31 | H48 | 118.1° | 119.8° |
| N9 | C30 | C32 | H48 | 118.4° | 120.4° |
| N9 | C30 | C31 | O12 | 101.8° | 15.7° |
| N9 | C30 | C32 | C33 | 60.1° | 67.3° |
| N9 | C30 | C32 | H49 | 60.2° | 172.7° |
| N9 | C30 | C32 | H50 | 179.5° | 52.6° |
| N9 | C30 | C31 | N11 | 87.0° | 164.3° |
| H47 | N9 | C30 | C31 | 67.2° | 58.0° |
| H47 | N9 | C30 | C32 | 57.5° | 177.7° |
| H47 | N9 | C30 | H48 | 175.3° | 61.8° |
| C31 | C30 | C32 | H48 | 118.2° | 120.4° |
| C30 | C31 | O12 | N11 | 172.2° | 180.0° |
| C31 | C30 | C32 | C33 | 176.4° | 51.9° |
| C31 | C30 | C32 | H49 | 63.2° | 68.1° |
| C31 | C30 | C32 | H50 | 56.1° | 171.8° |
| C30 | C31 | N11 | C34 | 155.9° | 179.7° |
| C30 | C31 | N11 | H53 | 24.1° | 0.3° |
| C31 | C30 | N9 | C27 | 112.7° | 121.9° |
| C32 | C30 | C31 | O12 | 21.9° | 135.5° |
| C30 | C32 | C33 | H49 | 120.4° | 120.0° |
| C30 | C32 | C33 | H50 | 120.4° | 119.9° |
| C30 | C32 | H49 | H50 | 118.9° | 120.0° |
| C30 | C32 | C33 | O13 | 57.6° | 0.0° |
| C30 | C32 | C33 | N10 | 125.8° | 179.9° |
| C32 | C30 | N9 | C27 | 122.5° | 2.1° |
| C32 | C30 | C31 | N11 | 149.4° | 44.5° |
| H48 | C30 | C31 | O12 | 140.1° | 104.0° |
| H48 | C30 | C32 | C33 | 58.2° | 172.3° |
| H48 | C30 | C32 | H49 | 178.6° | 52.3° |
| H48 | C30 | C32 | H50 | 62.1° | 67.8° |
| H48 | C30 | N9 | C27 | 4.7° | 118.4° |
| H48 | C30 | C31 | N11 | 31.2° | 76.0° |
| O12 | C31 | N11 | C34 | 32.4° | 0.3° |
| O12 | C31 | N11 | H53 | 147.6° | 179.7° |
| C33 | C32 | H49 | H50 | 118.9° | 120.0° |
| C32 | C33 | O13 | N10 | 176.5° | 179.9° |
| C32 | C33 | N10 | H51 | 176.6° | 0.1° |
| C32 | C33 | N10 | H52 | 3.4° | 180.0° |
| H49 | C32 | C33 | O13 | 178.0° | 120.0° |
| H49 | C32 | C33 | N10 | 5.4° | 60.1° |
| H50 | C32 | C33 | O13 | 62.7° | 119.9° |
| H50 | C32 | C33 | N10 | 113.9° | 60.0° |
| O13 | C33 | N10 | H51 | 0.0° | 180.0° |
| O13 | C33 | N10 | H52 | 180.0° | 0.1° |
| C33 | N10 | H51 | H52 | 180.0° | 179.9° |
| C34 | N11 | H53 | C31 | 180.0° | 180.0° |
| N11 | C34 | C35 | C36 | 126.7° | 119.4° |
| N11 | C34 | C35 | H54 | 118.6° | 120.2° |
| N11 | C34 | C36 | H54 | 116.6° | 119.9° |
| N11 | C34 | C35 | O14 | 17.1° | 109.7° |
| N11 | C34 | C35 | N12 | 164.1° | 70.3° |
| N11 | C34 | C36 | S1 | 59.2° | 178.4° |
| N11 | C34 | C36 | H55 | 61.5° | 61.0° |
| N11 | C34 | C36 | H56 | 179.9° | 59.0° |
| H53 | N11 | C34 | C35 | 53.5° | 165.7° |
| H53 | N11 | C34 | C36 | 72.1° | 74.5° |
| H53 | N11 | C34 | H54 | 171.8° | 45.5° |
| C35 | C34 | C36 | H54 | 114.6° | 120.3° |
| C34 | C35 | O14 | N12 | 178.6° | 180.0° |
| C35 | C34 | C36 | S1 | 172.0° | 58.6° |
| C35 | C34 | C36 | H55 | 67.3° | 179.2° |
| C35 | C34 | C36 | H56 | 51.3° | 60.8° |
| C34 | C35 | N12 | H57 | 178.7° | 0.0° |
| C34 | C35 | N12 | H58 | 1.3° | 180.0° |
| C35 | C34 | N11 | C31 | 126.5° | 14.3° |
| C36 | C34 | C35 | O14 | 109.6° | 9.7° |
| C36 | C34 | C35 | N12 | 69.1° | 170.3° |
| C34 | C36 | S1 | H55 | 120.7° | 120.2° |
| C34 | C36 | S1 | H56 | 120.7° | 119.7° |
| C34 | C36 | H55 | H56 | 117.7° | 119.9° |
| C34 | C36 | S1 | C5 | 105.2° | 173.6° |
| C36 | C34 | N11 | C31 | 108.0° | 105.5° |
| H54 | C34 | C35 | O14 | 135.8° | 130.1° |
| H54 | C34 | C35 | N12 | 45.5° | 49.9° |
| H54 | C34 | C36 | S1 | 57.4° | 61.7° |
| H54 | C34 | C36 | H55 | 178.1° | 58.9° |
| H54 | C34 | C36 | H56 | 63.4° | 178.8° |
| H54 | C34 | N11 | C31 | 8.2° | 134.5° |
| O14 | C35 | N12 | H57 | 0.0° | 180.0° |
| O14 | C35 | N12 | H58 | 180.0° | 0.0° |
| C35 | N12 | H57 | H58 | 180.0° | 179.9° |
| S1 | C36 | H55 | H56 | 117.7° | 119.9° |
| H55 | C36 | S1 | C5 | 134.0° | 53.4° |
| H56 | C36 | S1 | C5 | 15.5° | 66.8° |
