PRD_002409
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.38Å | |
| N1 | C4 | sing | 1.37Å | 1.37Å | |
| N1 | C5 | sing | 1.46Å | 1.47Å | |
| C1 | N2 | sing | 1.35Å | 1.37Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| N2 | C2 | sing | 1.35Å | 1.38Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | C3 | sing | 1.42Å | 1.43Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C3 | C4 | doub | 1.35Å | 1.34Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.55Å | 1.52Å | |
| C5 | O4 | sing | 1.44Å | 1.40Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C7 | O5 | sing | 1.43Å | 1.42Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | sing | 1.44Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O5 | H9 | sing | 0.97Å | 0.95Å | |
| C9 | O6 | sing | 1.43Å | 1.44Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| O6 | P1 | sing | 1.61Å | 1.57Å | |
| P1 | O7 | doub | 1.48Å | 1.48Å | |
| P1 | O8 | sing | 1.61Å | 1.53Å | |
| P1 | O9 | sing | 1.61Å | 1.60Å | |
| O8 | H12 | sing | 0.97Å | 0.95Å | |
| O9 | P2 | sing | 1.61Å | 1.58Å | |
| P2 | O10 | doub | 1.48Å | 1.52Å | |
| P2 | O11 | sing | 1.61Å | 1.53Å | |
| O11 | H13 | sing | 0.97Å | 0.95Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| C10 | O12 | sing | 1.43Å | 1.39Å | |
| C12 | O13 | sing | 1.43Å | 1.43Å | |
| C18 | O13 | sing | 1.43Å | 1.43Å | |
| C13 | O14 | sing | 1.43Å | 1.43Å | |
| C10 | O15 | sing | 1.43Å | 1.42Å | |
| C14 | O15 | sing | 1.43Å | 1.44Å | |
| C15 | O16 | sing | 1.43Å | 1.41Å | |
| C16 | O17 | doub | 1.21Å | 1.23Å | |
| C19 | O18 | doub | 1.21Å | 1.26Å | |
| C11 | N3 | sing | 1.46Å | 1.45Å | |
| C16 | N3 | sing | 1.35Å | 1.33Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| O16 | H29 | sing | 0.97Å | 0.95Å | |
| O14 | H30 | sing | 0.97Å | 0.95Å | |
| N4 | C21 | sing | 1.46Å | 1.46Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | O19 | doub | 1.21Å | 1.23Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| N5 | C24 | sing | 1.47Å | 1.45Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | O20 | doub | 1.21Å | 1.23Å | |
| C25 | O22 | sing | 1.34Å | 1.33Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | O21 | doub | 1.21Å | 1.22Å | |
| O22 | H42 | sing | 0.97Å | 0.95Å | |
| N6 | C29 | sing | 1.46Å | 1.46Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | O23 | doub | 1.21Å | 1.23Å | |
| C31 | S1 | sing | 1.81Å | 1.81Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| S1 | H47 | sing | 1.34Å | 1.30Å | |
| N7 | C32 | sing | 1.46Å | 1.46Å | |
| N7 | H48 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | C34 | sing | 1.51Å | 1.52Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | O24 | doub | 1.21Å | 1.24Å | |
| N8 | C35 | sing | 1.47Å | 1.47Å | |
| N8 | H53 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C35 | C37 | sing | 1.51Å | 1.53Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | O25 | doub | 1.21Å | 1.24Å | |
| C37 | O26 | sing | 1.34Å | 1.23Å | |
| O26 | H58 | sing | 0.97Å | 0.95Å | |
| P2 | O12 | sing | 1.61Å | 1.56Å | |
| C19 | N4 | sing | 1.35Å | 1.43Å | |
| C22 | N5 | sing | 1.35Å | 1.33Å | |
| C28 | N6 | sing | 1.35Å | 1.43Å | |
| C30 | N7 | sing | 1.35Å | 1.33Å | |
| C34 | N8 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C4 | 121.6° | 120.6° |
| C1 | N1 | C5 | 117.3° | 119.7° |
| N1 | C1 | N2 | 115.1° | 120.9° |
| N1 | C1 | O1 | 123.0° | 119.5° |
| C4 | N1 | C5 | 121.1° | 119.7° |
| N1 | C4 | C3 | 122.0° | 119.7° |
| N1 | C4 | H3 | 119.0° | 120.2° |
| N1 | C5 | C6 | 113.4° | 110.6° |
| N1 | C5 | O4 | 109.2° | 110.7° |
| N1 | C5 | H4 | 109.9° | 110.5° |
| N2 | C1 | O1 | 121.9° | 119.6° |
| C1 | N2 | C2 | 126.7° | 120.3° |
| C1 | N2 | H1 | 116.7° | 119.8° |
| C2 | N2 | H1 | 116.6° | 119.9° |
| N2 | C2 | C3 | 114.8° | 119.4° |
| N2 | C2 | O2 | 119.5° | 120.3° |
| C3 | C2 | O2 | 125.6° | 120.3° |
| C2 | C3 | C4 | 119.8° | 119.1° |
| C2 | C3 | H2 | 120.1° | 120.4° |
| C4 | C3 | H2 | 120.1° | 120.4° |
| C3 | C4 | H3 | 119.0° | 120.1° |
| C6 | C5 | O4 | 104.2° | 103.5° |
| C6 | C5 | H4 | 109.1° | 110.6° |
| C5 | C6 | O3 | 110.0° | 111.0° |
| C5 | C6 | C7 | 100.2° | 102.1° |
| C5 | C6 | H5 | 110.2° | 110.9° |
| O4 | C5 | H4 | 110.9° | 110.8° |
| C5 | O4 | C8 | 107.0° | 107.0° |
| O3 | C6 | C7 | 114.0° | 110.9° |
| O3 | C6 | H5 | 111.7° | 110.8° |
| C6 | O3 | H6 | 109.5° | 114.1° |
| C7 | C6 | H5 | 110.1° | 110.9° |
| C6 | C7 | C8 | 103.1° | 104.2° |
| C6 | C7 | O5 | 111.4° | 110.5° |
| C6 | C7 | H7 | 110.6° | 110.5° |
| C8 | C7 | O5 | 108.6° | 110.5° |
| C8 | C7 | H7 | 110.5° | 110.4° |
| C7 | C8 | O4 | 106.4° | 107.3° |
| C7 | C8 | C9 | 115.3° | 109.9° |
| C7 | C8 | H8 | 108.0° | 109.9° |
| O5 | C7 | H7 | 112.3° | 110.6° |
| C7 | O5 | H9 | 109.5° | 114.0° |
| O4 | C8 | C9 | 109.5° | 109.9° |
| O4 | C8 | H8 | 109.1° | 109.9° |
| C9 | C8 | H8 | 108.4° | 110.0° |
| C8 | C9 | O6 | 108.0° | 109.5° |
| C8 | C9 | H10 | 109.8° | 109.4° |
| C8 | C9 | H11 | 109.8° | 109.5° |
| O6 | C9 | H10 | 109.9° | 109.5° |
| O6 | C9 | H11 | 109.8° | 109.5° |
| C9 | O6 | P1 | 120.6° | 123.0° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| O6 | P1 | O7 | 107.3° | 109.5° |
| O6 | P1 | O8 | 110.5° | 109.5° |
| O6 | P1 | O9 | 104.3° | 109.4° |
| O7 | P1 | O8 | 117.4° | 109.5° |
| O7 | P1 | O9 | 109.8° | 109.5° |
| O8 | P1 | O9 | 106.9° | 109.5° |
| P1 | O8 | H12 | 109.5° | 114.0° |
| P1 | O9 | P2 | 127.6° | 134.0° |
| O9 | P2 | O10 | 104.1° | 109.5° |
| O9 | P2 | O11 | 103.8° | 109.5° |
| O9 | P2 | O12 | 110.9° | 109.5° |
| O10 | P2 | O11 | 110.5° | 109.5° |
| O10 | P2 | O12 | 110.6° | 109.5° |
| P2 | O11 | H13 | 109.5° | 114.0° |
| O11 | P2 | O12 | 116.1° | 109.4° |
| C10 | C11 | C12 | 109.8° | 109.2° |
| C11 | C10 | O12 | 105.9° | 109.5° |
| C11 | C10 | O15 | 113.0° | 109.5° |
| C10 | C11 | N3 | 108.8° | 109.5° |
| C11 | C10 | H14 | 109.7° | 109.5° |
| C10 | C11 | H15 | 108.6° | 109.5° |
| C11 | C12 | C13 | 110.9° | 109.0° |
| C11 | C12 | O13 | 108.3° | 109.5° |
| C12 | C11 | N3 | 111.4° | 109.5° |
| C12 | C11 | H15 | 108.6° | 109.5° |
| C11 | C12 | H20 | 108.7° | 109.6° |
| C12 | C13 | C14 | 109.8° | 109.1° |
| C13 | C12 | O13 | 110.3° | 109.5° |
| C12 | C13 | O14 | 110.6° | 109.5° |
| C13 | C12 | H20 | 108.7° | 109.5° |
| C12 | C13 | H25 | 108.8° | 109.5° |
| C13 | C14 | C15 | 113.9° | 109.5° |
| C14 | C13 | O14 | 108.6° | 109.5° |
| C13 | C14 | O15 | 108.5° | 109.4° |
| C14 | C13 | H25 | 108.8° | 109.5° |
| C13 | C14 | H26 | 108.8° | 109.5° |
| C15 | C14 | O15 | 106.7° | 109.5° |
| C14 | C15 | O16 | 110.3° | 109.5° |
| C15 | C14 | H26 | 109.0° | 109.5° |
| C14 | C15 | H27 | 109.3° | 109.5° |
| C14 | C15 | H28 | 109.3° | 109.4° |
| C17 | C16 | O17 | 122.1° | 120.0° |
| C17 | C16 | N3 | 116.0° | 120.1° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| C16 | C17 | H18 | 109.5° | 109.4° |
| C16 | C17 | H19 | 109.5° | 109.5° |
| C19 | C18 | C20 | 110.8° | 109.5° |
| C19 | C18 | O13 | 111.4° | 109.5° |
| C18 | C19 | O18 | 118.0° | 120.0° |
| C19 | C18 | H21 | 108.6° | 109.5° |
| C18 | C19 | N4 | 116.3° | 120.0° |
| C20 | C18 | O13 | 107.3° | 109.5° |
| C20 | C18 | H21 | 108.8° | 109.5° |
| C18 | C20 | H22 | 109.5° | 109.5° |
| C18 | C20 | H23 | 109.5° | 109.5° |
| C18 | C20 | H24 | 109.5° | 109.5° |
| O12 | C10 | O15 | 104.8° | 109.4° |
| O12 | C10 | H14 | 111.8° | 109.5° |
| C10 | O12 | P2 | 126.8° | 123.1° |
| C12 | O13 | C18 | 116.1° | 114.0° |
| O13 | C12 | H20 | 110.0° | 109.7° |
| O13 | C18 | H21 | 109.9° | 109.5° |
| O14 | C13 | H25 | 110.2° | 109.6° |
| C13 | O14 | H30 | 109.5° | 114.0° |
| C10 | O15 | C14 | 111.2° | 114.1° |
| O15 | C10 | H14 | 111.4° | 109.5° |
| O15 | C14 | H26 | 109.9° | 109.5° |
| O16 | C15 | H27 | 109.2° | 109.5° |
| O16 | C15 | H28 | 109.3° | 109.5° |
| C15 | O16 | H29 | 109.5° | 114.0° |
| O17 | C16 | N3 | 121.9° | 119.9° |
| O18 | C19 | N4 | 125.6° | 120.0° |
| C11 | N3 | C16 | 123.3° | 120.1° |
| N3 | C11 | H15 | 109.7° | 109.6° |
| C11 | N3 | H16 | 118.3° | 120.0° |
| C16 | N3 | H16 | 118.4° | 119.9° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.4° | 109.5° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| H22 | C20 | H24 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.4° | 109.5° |
| H27 | C15 | H28 | 109.5° | 109.4° |
| C21 | N4 | H31 | 118.5° | 120.0° |
| N4 | C21 | C22 | 112.0° | 109.5° |
| N4 | C21 | C23 | 110.6° | 109.5° |
| N4 | C21 | H32 | 108.4° | 109.5° |
| C21 | N4 | C19 | 122.9° | 120.0° |
| H31 | N4 | C19 | 118.6° | 120.0° |
| C22 | C21 | C23 | 110.6° | 109.4° |
| C22 | C21 | H32 | 107.5° | 109.4° |
| C21 | C22 | O19 | 120.6° | 120.0° |
| C21 | C22 | N5 | 116.9° | 120.0° |
| C23 | C21 | H32 | 107.5° | 109.5° |
| C21 | C23 | H33 | 109.5° | 109.5° |
| C21 | C23 | H34 | 109.5° | 109.4° |
| C21 | C23 | H35 | 109.4° | 109.5° |
| O19 | C22 | N5 | 122.5° | 120.0° |
| H33 | C23 | H34 | 109.5° | 109.5° |
| H33 | C23 | H35 | 109.5° | 109.5° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| C24 | N5 | H36 | 119.8° | 120.0° |
| N5 | C24 | C25 | 109.3° | 109.4° |
| N5 | C24 | C26 | 110.2° | 109.5° |
| N5 | C24 | H37 | 109.5° | 109.5° |
| C24 | N5 | C22 | 120.5° | 120.0° |
| H36 | N5 | C22 | 119.8° | 120.0° |
| C25 | C24 | C26 | 110.5° | 109.5° |
| C25 | C24 | H37 | 108.7° | 109.5° |
| C24 | C25 | O20 | 121.2° | 120.0° |
| C24 | C25 | O22 | 119.5° | 120.0° |
| C26 | C24 | H37 | 108.5° | 109.5° |
| C24 | C26 | C27 | 112.3° | 109.5° |
| C24 | C26 | H38 | 108.8° | 109.5° |
| C24 | C26 | H39 | 108.8° | 109.5° |
| O20 | C25 | O22 | 119.3° | 120.0° |
| C25 | O22 | H42 | 109.5° | 117.0° |
| C27 | C26 | H38 | 108.8° | 109.5° |
| C27 | C26 | H39 | 108.8° | 109.5° |
| C26 | C27 | C28 | 112.8° | 109.5° |
| C26 | C27 | H40 | 108.7° | 109.5° |
| C26 | C27 | H41 | 108.6° | 109.5° |
| H38 | C26 | H39 | 109.4° | 109.4° |
| C28 | C27 | H40 | 108.6° | 109.5° |
| C28 | C27 | H41 | 108.6° | 109.4° |
| C27 | C28 | O21 | 121.9° | 120.0° |
| C27 | C28 | N6 | 99.8° | 120.0° |
| H40 | C27 | H41 | 109.5° | 109.5° |
| O21 | C28 | N6 | 135.0° | 120.0° |
| C29 | N6 | H43 | 130.4° | 120.0° |
| N6 | C29 | C30 | 108.8° | 109.5° |
| N6 | C29 | C31 | 109.7° | 109.5° |
| N6 | C29 | H44 | 109.5° | 109.4° |
| C29 | N6 | C28 | 99.2° | 120.0° |
| H43 | N6 | C28 | 130.4° | 119.9° |
| C30 | C29 | C31 | 111.9° | 109.5° |
| C30 | C29 | H44 | 108.5° | 109.4° |
| C29 | C30 | O23 | 121.3° | 120.0° |
| C29 | C30 | N7 | 116.0° | 120.0° |
| C31 | C29 | H44 | 108.5° | 109.5° |
| C29 | C31 | S1 | 115.4° | 109.5° |
| C29 | C31 | H45 | 108.0° | 109.4° |
| C29 | C31 | H46 | 108.0° | 109.5° |
| O23 | C30 | N7 | 122.8° | 120.0° |
| S1 | C31 | H45 | 108.0° | 109.5° |
| S1 | C31 | H46 | 108.0° | 109.5° |
| C31 | S1 | H47 | 102.0° | 103.0° |
| H45 | C31 | H46 | 109.5° | 109.5° |
| C32 | N7 | H48 | 119.0° | 120.0° |
| N7 | C32 | C33 | 110.5° | 109.5° |
| N7 | C32 | C34 | 109.6° | 109.5° |
| N7 | C32 | H49 | 109.4° | 109.5° |
| C32 | N7 | C30 | 122.0° | 120.0° |
| H48 | N7 | C30 | 119.0° | 120.0° |
| C33 | C32 | C34 | 110.2° | 109.5° |
| C33 | C32 | H49 | 108.5° | 109.5° |
| C32 | C33 | H50 | 109.5° | 109.4° |
| C32 | C33 | H51 | 109.4° | 109.5° |
| C32 | C33 | H52 | 109.5° | 109.5° |
| C34 | C32 | H49 | 108.5° | 109.5° |
| C32 | C34 | O24 | 120.3° | 120.0° |
| C32 | C34 | N8 | 116.2° | 120.0° |
| H50 | C33 | H51 | 109.5° | 109.5° |
| H50 | C33 | H52 | 109.5° | 109.5° |
| H51 | C33 | H52 | 109.4° | 109.5° |
| O24 | C34 | N8 | 123.5° | 120.0° |
| C35 | N8 | H53 | 119.0° | 120.0° |
| N8 | C35 | C36 | 110.7° | 109.5° |
| N8 | C35 | C37 | 112.2° | 109.5° |
| N8 | C35 | H54 | 108.4° | 109.5° |
| C35 | N8 | C34 | 122.0° | 120.0° |
| H53 | N8 | C34 | 119.0° | 120.0° |
| C36 | C35 | C37 | 109.9° | 109.5° |
| C36 | C35 | H54 | 107.8° | 109.5° |
| C35 | C36 | H55 | 109.5° | 109.5° |
| C35 | C36 | H56 | 109.5° | 109.5° |
| C35 | C36 | H57 | 109.5° | 109.5° |
| C37 | C35 | H54 | 107.6° | 109.5° |
| C35 | C37 | O25 | 120.4° | 120.0° |
| C35 | C37 | O26 | 120.7° | 120.0° |
| H55 | C36 | H56 | 109.4° | 109.4° |
| H55 | C36 | H57 | 109.5° | 109.5° |
| H56 | C36 | H57 | 109.5° | 109.4° |
| O25 | C37 | O26 | 118.9° | 119.9° |
| C37 | O26 | H58 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C4 | C5 | 177.4° | 179.7° |
| N1 | C1 | N2 | O1 | 179.7° | 179.9° |
| N1 | C1 | N2 | C2 | 0.2° | 0.0° |
| N1 | C1 | N2 | H1 | 179.8° | 180.0° |
| C1 | N1 | C4 | C3 | 0.7° | 0.0° |
| C1 | N1 | C4 | H3 | 179.2° | 180.0° |
| C1 | N1 | C5 | C6 | 124.9° | 115.0° |
| C1 | N1 | C5 | O4 | 119.4° | 130.9° |
| C1 | N1 | C5 | H4 | 2.5° | 7.8° |
| C4 | N1 | C1 | N2 | 0.8° | 0.1° |
| C4 | N1 | C1 | O1 | 179.5° | 180.0° |
| N1 | C4 | C3 | C2 | 0.0° | 0.1° |
| N1 | C4 | C3 | H3 | 180.0° | 179.9° |
| N1 | C4 | C3 | H2 | 180.0° | 179.9° |
| C4 | N1 | C5 | C6 | 52.6° | 65.3° |
| C4 | N1 | C5 | O4 | 63.1° | 48.8° |
| C4 | N1 | C5 | H4 | 175.0° | 171.9° |
| C5 | N1 | C1 | N2 | 178.3° | 179.8° |
| C5 | N1 | C1 | O1 | 2.1° | 0.3° |
| C5 | N1 | C4 | C3 | 178.1° | 179.7° |
| C5 | N1 | C4 | H3 | 1.8° | 0.3° |
| N1 | C5 | C6 | O4 | 118.7° | 118.5° |
| N1 | C5 | C6 | H4 | 122.8° | 122.8° |
| N1 | C5 | O4 | H4 | 121.3° | 122.9° |
| N1 | C5 | C6 | O3 | 77.4° | 86.3° |
| N1 | C5 | C6 | C7 | 162.2° | 155.6° |
| N1 | C5 | C6 | H5 | 46.2° | 37.3° |
| N1 | C5 | O4 | C8 | 161.6° | 158.6° |
| C1 | N2 | C2 | H1 | 180.0° | 180.0° |
| C1 | N2 | C2 | C3 | 0.4° | 0.0° |
| C1 | N2 | C2 | O2 | 179.8° | 180.0° |
| O1 | C1 | N2 | C2 | 179.9° | 180.0° |
| O1 | C1 | N2 | H1 | 0.1° | 0.0° |
| N2 | C2 | C3 | O2 | 179.3° | 179.9° |
| N2 | C2 | C3 | C4 | 0.5° | 0.1° |
| N2 | C2 | C3 | H2 | 179.5° | 179.9° |
| H1 | N2 | C2 | C3 | 179.6° | 180.0° |
| H1 | N2 | C2 | O2 | 0.2° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.8° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| O2 | C2 | C3 | C4 | 179.8° | 180.0° |
| O2 | C2 | C3 | H2 | 0.2° | 0.1° |
| H2 | C3 | C4 | H3 | 0.1° | 0.1° |
| C6 | C5 | O4 | H4 | 117.2° | 118.5° |
| C5 | C6 | O3 | C7 | 111.7° | 112.7° |
| C5 | C6 | O3 | H5 | 122.7° | 123.7° |
| C5 | C6 | C7 | H5 | 116.1° | 118.2° |
| C5 | C6 | O3 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 30.0° | 20.9° |
| C5 | C6 | C7 | O5 | 86.3° | 97.8° |
| C5 | C6 | C7 | H7 | 148.1° | 139.5° |
| C6 | C5 | O4 | C8 | 40.1° | 40.0° |
| O4 | C5 | C6 | O3 | 163.9° | 155.2° |
| O4 | C5 | C6 | C7 | 43.5° | 37.0° |
| O4 | C5 | C6 | H5 | 72.5° | 81.2° |
| C5 | O4 | C8 | C7 | 19.8° | 26.4° |
| C5 | O4 | C8 | C9 | 145.0° | 145.9° |
| C5 | O4 | C8 | H8 | 96.5° | 92.9° |
| H4 | C5 | C6 | O3 | 45.4° | 36.6° |
| H4 | C5 | C6 | C7 | 75.0° | 81.6° |
| H4 | C5 | C6 | H5 | 169.0° | 160.2° |
| H4 | C5 | O4 | C8 | 77.1° | 78.5° |
| O3 | C6 | C7 | H5 | 126.4° | 123.6° |
| O3 | C6 | C7 | C8 | 147.4° | 139.2° |
| O3 | C6 | C7 | O5 | 31.1° | 20.4° |
| O3 | C6 | C7 | H7 | 94.4° | 102.3° |
| C7 | C6 | O3 | H6 | 68.3° | 67.3° |
| C6 | C7 | C8 | O5 | 118.3° | 118.7° |
| C6 | C7 | C8 | H7 | 118.2° | 118.6° |
| C6 | C7 | O5 | H7 | 124.6° | 122.6° |
| C6 | C7 | C8 | O4 | 8.1° | 2.0° |
| C6 | C7 | C8 | C9 | 113.6° | 121.4° |
| C6 | C7 | C8 | H8 | 125.1° | 117.4° |
| C6 | C7 | O5 | H9 | 180.0° | 61.5° |
| H5 | C6 | O3 | H6 | 57.3° | 56.4° |
| H5 | C6 | C7 | C8 | 86.2° | 97.3° |
| H5 | C6 | C7 | O5 | 157.6° | 144.0° |
| H5 | C6 | C7 | H7 | 32.0° | 21.3° |
| C8 | C7 | O5 | H7 | 122.5° | 122.6° |
| C7 | C8 | O4 | C9 | 125.2° | 119.5° |
| C7 | C8 | O4 | H8 | 116.3° | 119.4° |
| C7 | C8 | C9 | H8 | 121.1° | 121.1° |
| C8 | C7 | O5 | H9 | 67.1° | 176.2° |
| C7 | C8 | C9 | O6 | 67.2° | 175.0° |
| C7 | C8 | C9 | H10 | 52.6° | 55.0° |
| C7 | C8 | C9 | H11 | 173.1° | 65.0° |
| O5 | C7 | C8 | O4 | 110.2° | 120.7° |
| O5 | C7 | C8 | C9 | 128.1° | 119.8° |
| O5 | C7 | C8 | H8 | 6.8° | 1.3° |
| H7 | C7 | C8 | O4 | 126.2° | 116.6° |
| H7 | C7 | C8 | C9 | 4.6° | 2.8° |
| H7 | C7 | C8 | H8 | 116.7° | 124.0° |
| H7 | C7 | O5 | H9 | 55.4° | 61.2° |
| O4 | C8 | C9 | H8 | 118.9° | 121.1° |
| O4 | C8 | C9 | O6 | 172.9° | 67.2° |
| O4 | C8 | C9 | H10 | 67.3° | 172.8° |
| O4 | C8 | C9 | H11 | 53.1° | 52.8° |
| C8 | C9 | O6 | H10 | 119.8° | 119.9° |
| C8 | C9 | O6 | H11 | 119.8° | 120.0° |
| C8 | C9 | H10 | H11 | 120.7° | 120.0° |
| C8 | C9 | O6 | P1 | 160.6° | 180.0° |
| H8 | C8 | C9 | O6 | 53.9° | 53.9° |
| H8 | C8 | C9 | H10 | 173.7° | 66.1° |
| H8 | C8 | C9 | H11 | 65.8° | 173.9° |
| O6 | C9 | H10 | H11 | 120.7° | 120.0° |
| C9 | O6 | P1 | O7 | 61.8° | 55.0° |
| C9 | O6 | P1 | O8 | 169.1° | 65.0° |
| C9 | O6 | P1 | O9 | 54.6° | 175.0° |
| H10 | C9 | O6 | P1 | 79.7° | 60.1° |
| H11 | C9 | O6 | P1 | 40.8° | 60.0° |
| O6 | P1 | O7 | O8 | 125.0° | 120.0° |
| O6 | P1 | O7 | O9 | 112.7° | 120.0° |
| O6 | P1 | O8 | O9 | 112.9° | 120.0° |
| O6 | P1 | O8 | H12 | 123.4° | 60.0° |
| O6 | P1 | O9 | P2 | 129.1° | 165.0° |
| O7 | P1 | O8 | O9 | 123.8° | 120.0° |
| O7 | P1 | O8 | H12 | 0.0° | 180.0° |
| O7 | P1 | O9 | P2 | 116.2° | 45.0° |
| O8 | P1 | O9 | P2 | 12.1° | 75.0° |
| O9 | P1 | O8 | H12 | 123.8° | 60.0° |
| P1 | O9 | P2 | O10 | 61.3° | 45.0° |
| P1 | O9 | P2 | O11 | 177.0° | 75.1° |
| P1 | O9 | P2 | O12 | 57.7° | 165.0° |
| O9 | P2 | O10 | O11 | 110.8° | 120.0° |
| O9 | P2 | O10 | O12 | 119.2° | 120.0° |
| O9 | P2 | O11 | O12 | 121.9° | 120.0° |
| O9 | P2 | O11 | H13 | 111.1° | 59.9° |
| O9 | P2 | O12 | C10 | 72.2° | 175.0° |
| O10 | P2 | O11 | O12 | 127.0° | 120.0° |
| O10 | P2 | O11 | H13 | 0.0° | 180.0° |
| O10 | P2 | O12 | C10 | 172.8° | 55.0° |
| O11 | P2 | O12 | C10 | 45.8° | 65.0° |
| H13 | O11 | P2 | O12 | 127.0° | 60.1° |
| C10 | C11 | C12 | N3 | 120.6° | 119.9° |
| C10 | C11 | C12 | H15 | 118.5° | 119.9° |
| C10 | C11 | C12 | C13 | 49.0° | 57.0° |
| C11 | C10 | O12 | O15 | 119.7° | 120.0° |
| C11 | C10 | O12 | H14 | 119.5° | 120.0° |
| C10 | C11 | C12 | O13 | 170.1° | 176.8° |
| C11 | C10 | O15 | H14 | 124.0° | 120.0° |
| C11 | C10 | O15 | C14 | 61.2° | 61.1° |
| C10 | C11 | N3 | H15 | 118.6° | 120.1° |
| C10 | C11 | N3 | C16 | 111.0° | 88.7° |
| C10 | C11 | N3 | H16 | 69.0° | 91.3° |
| C10 | C11 | C12 | H20 | 70.5° | 62.9° |
| C11 | C10 | O12 | P2 | 150.0° | 150.0° |
| C11 | C12 | C13 | O13 | 120.0° | 119.8° |
| C11 | C12 | C13 | H20 | 119.4° | 119.9° |
| C11 | C12 | C13 | C14 | 54.2° | 57.0° |
| C12 | C11 | C10 | O12 | 61.7° | 62.4° |
| C11 | C12 | O13 | H20 | 118.6° | 120.3° |
| C11 | C12 | O13 | C18 | 97.9° | 98.7° |
| C11 | C12 | C13 | O14 | 174.0° | 176.9° |
| C12 | C11 | C10 | O15 | 52.5° | 57.6° |
| C12 | C11 | N3 | H15 | 120.2° | 120.2° |
| C12 | C11 | N3 | C16 | 127.9° | 151.6° |
| C12 | C11 | C10 | H14 | 177.4° | 177.6° |
| C12 | C11 | N3 | H16 | 52.1° | 28.4° |
| C11 | C12 | C13 | H25 | 64.8° | 62.9° |
| C12 | C13 | C14 | O14 | 121.0° | 119.9° |
| C12 | C13 | C14 | H25 | 119.1° | 119.9° |
| C12 | C13 | C14 | C15 | 179.2° | 177.6° |
| C13 | C12 | O13 | H20 | 119.9° | 120.2° |
| C13 | C12 | O13 | C18 | 140.6° | 141.7° |
| C12 | C13 | O14 | H25 | 120.4° | 120.2° |
| C12 | C13 | C14 | O15 | 60.6° | 57.6° |
| C13 | C12 | C11 | N3 | 169.6° | 176.9° |
| C13 | C12 | C11 | H15 | 69.6° | 62.9° |
| C12 | C13 | C14 | H26 | 59.0° | 62.4° |
| C12 | C13 | O14 | H30 | 180.0° | 180.0° |
| C13 | C14 | C15 | O15 | 119.7° | 119.9° |
| C13 | C14 | C15 | H26 | 121.7° | 120.0° |
| C14 | C13 | C12 | O13 | 174.2° | 176.8° |
| C14 | C13 | O14 | H25 | 119.1° | 120.2° |
| C13 | C14 | O15 | C10 | 64.2° | 61.1° |
| C13 | C14 | O15 | H26 | 118.9° | 120.0° |
| C13 | C14 | C15 | O16 | 65.2° | 175.0° |
| C14 | C13 | C12 | H20 | 65.2° | 62.9° |
| C13 | C14 | C15 | H27 | 174.7° | 55.0° |
| C13 | C14 | C15 | H28 | 54.9° | 65.0° |
| C14 | C13 | O14 | H30 | 59.4° | 60.3° |
| C15 | C14 | C13 | O14 | 59.8° | 62.5° |
| C15 | C14 | O15 | C10 | 172.7° | 178.9° |
| C15 | C14 | O15 | H26 | 118.0° | 120.0° |
| C14 | C15 | O16 | H27 | 120.1° | 120.0° |
| C14 | C15 | O16 | H28 | 120.1° | 120.0° |
| C15 | C14 | C13 | H25 | 60.2° | 57.7° |
| C14 | C15 | H27 | H28 | 119.6° | 119.9° |
| C14 | C15 | O16 | H29 | 180.0° | 180.0° |
| C17 | C16 | O17 | N3 | 179.7° | 180.0° |
| C17 | C16 | N3 | C11 | 179.9° | 180.0° |
| C17 | C16 | N3 | H16 | 0.2° | 0.0° |
| C16 | C17 | H17 | H18 | 120.0° | 120.0° |
| C16 | C17 | H17 | H19 | 120.0° | 120.0° |
| C16 | C17 | H18 | H19 | 120.0° | 120.0° |
| C19 | C18 | C20 | O13 | 121.8° | 120.0° |
| C19 | C18 | C20 | H21 | 119.3° | 120.0° |
| C19 | C18 | O13 | C12 | 113.3° | 148.4° |
| C19 | C18 | O13 | H21 | 120.4° | 120.0° |
| C18 | C19 | O18 | N4 | 176.6° | 180.0° |
| C19 | C18 | C20 | H22 | 180.0° | 64.6° |
| C19 | C18 | C20 | H23 | 60.0° | 175.5° |
| C19 | C18 | C20 | H24 | 60.0° | 55.5° |
| C18 | C19 | N4 | C21 | 170.4° | 180.0° |
| C18 | C19 | N4 | H31 | 9.6° | 0.0° |
| C20 | C18 | O13 | C12 | 125.3° | 91.6° |
| C20 | C18 | O13 | H21 | 118.2° | 120.0° |
| C20 | C18 | C19 | O18 | 96.6° | 115.0° |
| C18 | C20 | H22 | H23 | 120.0° | 120.0° |
| C18 | C20 | H22 | H24 | 120.0° | 120.0° |
| C18 | C20 | H23 | H24 | 120.0° | 120.0° |
| C20 | C18 | C19 | N4 | 80.3° | 65.0° |
| O12 | C10 | O15 | H14 | 121.1° | 120.0° |
| O12 | C10 | O15 | C14 | 53.7° | 58.9° |
| O12 | C10 | C11 | N3 | 60.5° | 57.6° |
| O12 | C10 | C11 | H15 | 179.8° | 177.7° |
| O13 | C12 | C13 | O14 | 66.0° | 63.3° |
| O13 | C12 | C11 | N3 | 69.3° | 63.3° |
| O13 | C12 | C11 | H15 | 51.6° | 56.9° |
| C12 | O13 | C18 | H21 | 7.1° | 28.4° |
| O13 | C12 | C13 | H25 | 55.1° | 56.9° |
| O13 | C18 | C19 | O18 | 144.0° | 5.0° |
| C18 | O13 | C12 | H20 | 20.7° | 21.5° |
| O13 | C18 | C20 | H22 | 58.2° | 55.4° |
| O13 | C18 | C20 | H23 | 178.2° | 64.6° |
| O13 | C18 | C20 | H24 | 61.8° | 175.4° |
| O13 | C18 | C19 | N4 | 39.1° | 175.0° |
| O14 | C13 | C14 | O15 | 178.4° | 177.5° |
| O14 | C13 | C12 | H20 | 54.6° | 57.0° |
| O14 | C13 | C14 | H26 | 62.0° | 57.5° |
| O15 | C10 | C11 | N3 | 174.7° | 177.5° |
| O15 | C10 | C11 | H15 | 66.0° | 62.3° |
| C10 | O15 | C14 | H26 | 54.7° | 58.8° |
| O15 | C10 | O12 | P2 | 90.3° | 90.0° |
| O15 | C14 | C15 | O16 | 54.5° | 65.1° |
| C14 | O15 | C10 | H14 | 174.7° | 178.8° |
| O15 | C14 | C13 | H25 | 58.5° | 62.3° |
| O15 | C14 | C15 | H27 | 65.6° | 174.9° |
| O15 | C14 | C15 | H28 | 174.6° | 55.0° |
| O16 | C15 | C14 | H26 | 173.1° | 55.0° |
| O16 | C15 | H27 | H28 | 119.6° | 120.0° |
| O17 | C16 | N3 | C11 | 0.5° | 0.0° |
| O17 | C16 | N3 | H16 | 179.5° | 180.0° |
| O17 | C16 | C17 | H17 | 0.0° | 0.0° |
| O17 | C16 | C17 | H18 | 120.0° | 120.0° |
| O17 | C16 | C17 | H19 | 120.0° | 120.0° |
| O18 | C19 | C18 | H21 | 22.8° | 125.0° |
| O18 | C19 | N4 | C21 | 13.0° | 0.0° |
| O18 | C19 | N4 | H31 | 167.1° | 180.0° |
| C11 | N3 | C16 | H16 | 180.0° | 180.0° |
| N3 | C11 | C10 | H14 | 60.4° | 62.5° |
| N3 | C11 | C12 | H20 | 50.2° | 57.0° |
| C16 | N3 | C11 | H15 | 7.6° | 31.4° |
| N3 | C16 | C17 | H17 | 179.7° | 180.0° |
| N3 | C16 | C17 | H18 | 59.7° | 60.0° |
| N3 | C16 | C17 | H19 | 60.3° | 60.0° |
| H14 | C10 | C11 | H15 | 58.9° | 57.7° |
| H14 | C10 | O12 | P2 | 30.5° | 29.9° |
| H15 | C11 | N3 | H16 | 172.3° | 148.6° |
| H15 | C11 | C12 | H20 | 171.0° | 177.2° |
| H17 | C17 | H18 | H19 | 120.0° | 120.0° |
| H20 | C12 | C13 | H25 | 175.8° | 177.2° |
| H21 | C18 | C20 | H22 | 60.7° | 175.4° |
| H21 | C18 | C20 | H23 | 59.3° | 55.4° |
| H21 | C18 | C20 | H24 | 179.3° | 64.6° |
| H21 | C18 | C19 | N4 | 160.3° | 55.0° |
| H22 | C20 | H23 | H24 | 120.0° | 120.0° |
| H25 | C13 | C14 | H26 | 178.0° | 177.7° |
| H25 | C13 | O14 | H30 | 59.6° | 59.9° |
| H26 | C14 | C15 | H27 | 53.0° | 65.1° |
| H26 | C14 | C15 | H28 | 66.8° | 175.0° |
| H27 | C15 | O16 | H29 | 59.9° | 60.0° |
| H28 | C15 | O16 | H29 | 59.9° | 60.0° |
| C21 | N4 | H31 | C19 | 180.0° | 180.0° |
| N4 | C21 | C22 | C23 | 123.9° | 120.0° |
| N4 | C21 | C22 | H32 | 119.0° | 120.0° |
| N4 | C21 | C23 | H32 | 118.2° | 120.1° |
| N4 | C21 | C22 | O19 | 150.9° | 0.0° |
| N4 | C21 | C23 | H33 | 180.0° | 180.0° |
| N4 | C21 | C23 | H34 | 60.0° | 60.0° |
| N4 | C21 | C23 | H35 | 60.0° | 60.0° |
| N4 | C21 | C22 | N5 | 29.0° | 180.0° |
| H31 | N4 | C21 | C22 | 111.4° | 25.0° |
| H31 | N4 | C21 | C23 | 12.5° | 95.0° |
| H31 | N4 | C21 | H32 | 130.1° | 144.9° |
| C22 | C21 | C23 | H32 | 117.1° | 119.9° |
| C21 | C22 | O19 | N5 | 179.9° | 180.0° |
| C22 | C21 | C23 | H33 | 55.3° | 60.0° |
| C22 | C21 | C23 | H34 | 175.3° | 180.0° |
| C22 | C21 | C23 | H35 | 64.7° | 60.0° |
| C21 | C22 | N5 | C24 | 177.9° | 180.0° |
| C21 | C22 | N5 | H36 | 2.1° | 0.0° |
| C22 | C21 | N4 | C19 | 68.6° | 155.0° |
| C23 | C21 | C22 | O19 | 85.2° | 120.0° |
| C21 | C23 | H33 | H34 | 120.0° | 120.0° |
| C21 | C23 | H33 | H35 | 120.0° | 120.0° |
| C21 | C23 | H34 | H35 | 120.0° | 120.0° |
| C23 | C21 | N4 | C19 | 167.5° | 85.0° |
| C23 | C21 | C22 | N5 | 94.9° | 60.0° |
| H32 | C21 | C22 | O19 | 32.0° | 120.0° |
| H32 | C21 | C23 | H33 | 61.8° | 59.9° |
| H32 | C21 | C23 | H34 | 58.2° | 60.1° |
| H32 | C21 | C23 | H35 | 178.2° | 180.0° |
| H32 | C21 | N4 | C19 | 49.8° | 35.0° |
| H32 | C21 | C22 | N5 | 147.9° | 60.0° |
| O19 | C22 | N5 | C24 | 2.2° | 0.0° |
| O19 | C22 | N5 | H36 | 177.8° | 180.0° |
| H33 | C23 | H34 | H35 | 120.0° | 120.0° |
| C24 | N5 | H36 | C22 | 180.0° | 180.0° |
| N5 | C24 | C25 | C26 | 121.5° | 120.0° |
| N5 | C24 | C25 | H37 | 119.5° | 120.0° |
| N5 | C24 | C26 | H37 | 119.9° | 120.0° |
| N5 | C24 | C25 | O20 | 26.8° | 0.0° |
| N5 | C24 | C25 | O22 | 153.6° | 180.0° |
| N5 | C24 | C26 | C27 | 62.6° | 65.0° |
| N5 | C24 | C26 | H38 | 177.0° | 175.0° |
| N5 | C24 | C26 | H39 | 57.9° | 55.0° |
| H36 | N5 | C24 | C25 | 79.3° | 95.0° |
| H36 | N5 | C24 | C26 | 42.4° | 25.0° |
| H36 | N5 | C24 | H37 | 161.7° | 145.0° |
| C25 | C24 | C26 | H37 | 119.1° | 120.0° |
| C24 | C25 | O20 | O22 | 179.6° | 180.0° |
| C25 | C24 | C26 | C27 | 176.5° | 175.0° |
| C25 | C24 | C26 | H38 | 56.0° | 55.0° |
| C25 | C24 | C26 | H39 | 63.1° | 64.9° |
| C24 | C25 | O22 | H42 | 179.5° | 180.0° |
| C25 | C24 | N5 | C22 | 100.6° | 85.0° |
| C26 | C24 | C25 | O20 | 94.7° | 120.0° |
| C26 | C24 | C25 | O22 | 84.9° | 60.1° |
| C24 | C26 | C27 | H38 | 120.4° | 120.0° |
| C24 | C26 | C27 | H39 | 120.4° | 120.1° |
| C24 | C26 | H38 | H39 | 118.7° | 120.1° |
| C24 | C26 | C27 | C28 | 77.5° | 180.0° |
| C24 | C26 | C27 | H40 | 162.0° | 60.0° |
| C24 | C26 | C27 | H41 | 43.0° | 60.0° |
| C26 | C24 | N5 | C22 | 137.7° | 155.0° |
| H37 | C24 | C25 | O20 | 146.3° | 120.0° |
| H37 | C24 | C25 | O22 | 34.2° | 60.0° |
| H37 | C24 | C26 | C27 | 57.3° | 55.0° |
| H37 | C24 | C26 | H38 | 63.1° | 65.0° |
| H37 | C24 | C26 | H39 | 177.8° | 175.0° |
| H37 | C24 | N5 | C22 | 18.4° | 35.0° |
| O20 | C25 | O22 | H42 | 0.0° | 0.0° |
| C27 | C26 | H38 | H39 | 118.7° | 119.9° |
| C26 | C27 | C28 | H40 | 120.5° | 120.0° |
| C26 | C27 | C28 | H41 | 120.5° | 120.0° |
| C26 | C27 | H40 | H41 | 118.5° | 120.0° |
| C26 | C27 | C28 | O21 | 19.5° | 0.0° |
| C26 | C27 | C28 | N6 | 178.4° | 180.0° |
| H38 | C26 | C27 | C28 | 43.0° | 60.0° |
| H38 | C26 | C27 | H40 | 77.6° | 180.0° |
| H38 | C26 | C27 | H41 | 163.4° | 60.0° |
| H39 | C26 | C27 | C28 | 162.1° | 60.0° |
| H39 | C26 | C27 | H40 | 41.6° | 60.1° |
| H39 | C26 | C27 | H41 | 77.5° | 179.9° |
| C28 | C27 | H40 | H41 | 118.5° | 120.0° |
| C27 | C28 | O21 | N6 | 154.6° | 180.0° |
| C27 | C28 | N6 | C29 | 173.1° | 180.0° |
| C27 | C28 | N6 | H43 | 6.9° | 0.1° |
| H40 | C27 | C28 | O21 | 140.1° | 120.0° |
| H40 | C27 | C28 | N6 | 57.9° | 59.9° |
| H41 | C27 | C28 | O21 | 101.0° | 120.0° |
| H41 | C27 | C28 | N6 | 61.1° | 60.1° |
| O21 | C28 | N6 | C29 | 14.8° | 0.0° |
| O21 | C28 | N6 | H43 | 165.3° | 179.9° |
| C29 | N6 | H43 | C28 | 180.0° | 179.9° |
| N6 | C29 | C30 | C31 | 121.4° | 120.1° |
| N6 | C29 | C30 | H44 | 119.0° | 120.0° |
| N6 | C29 | C31 | H44 | 119.5° | 120.0° |
| N6 | C29 | C30 | O23 | 121.0° | 0.1° |
| N6 | C29 | C31 | S1 | 172.2° | 60.0° |
| N6 | C29 | C31 | H45 | 51.3° | 60.0° |
| N6 | C29 | C31 | H46 | 67.0° | 180.0° |
| N6 | C29 | C30 | N7 | 58.3° | 180.0° |
| H43 | N6 | C29 | C30 | 25.5° | 25.0° |
| H43 | N6 | C29 | C31 | 97.2° | 95.1° |
| H43 | N6 | C29 | H44 | 143.8° | 144.9° |
| C30 | C29 | C31 | H44 | 119.6° | 119.9° |
| C29 | C30 | O23 | N7 | 179.3° | 179.9° |
| C30 | C29 | C31 | S1 | 67.0° | 179.9° |
| C30 | C29 | C31 | H45 | 172.2° | 60.0° |
| C30 | C29 | C31 | H46 | 53.9° | 59.9° |
| C29 | C30 | N7 | C32 | 173.4° | 180.0° |
| C29 | C30 | N7 | H48 | 6.6° | 0.0° |
| C30 | C29 | N6 | C28 | 154.5° | 154.9° |
| C31 | C29 | C30 | O23 | 0.4° | 120.0° |
| C29 | C31 | S1 | H45 | 120.9° | 120.0° |
| C29 | C31 | S1 | H46 | 120.9° | 120.0° |
| C29 | C31 | H45 | H46 | 117.3° | 120.0° |
| C29 | C31 | S1 | H47 | 180.0° | 180.0° |
| C31 | C29 | N6 | C28 | 82.7° | 85.0° |
| C31 | C29 | C30 | N7 | 179.8° | 60.0° |
| H44 | C29 | C30 | O23 | 120.0° | 120.0° |
| H44 | C29 | C31 | S1 | 52.6° | 60.0° |
| H44 | C29 | C31 | H45 | 68.2° | 180.0° |
| H44 | C29 | C31 | H46 | 173.5° | 60.0° |
| H44 | C29 | N6 | C28 | 36.2° | 35.0° |
| H44 | C29 | C30 | N7 | 60.6° | 60.0° |
| O23 | C30 | N7 | C32 | 6.0° | 0.0° |
| O23 | C30 | N7 | H48 | 174.0° | 180.0° |
| S1 | C31 | H45 | H46 | 117.3° | 120.0° |
| H45 | C31 | S1 | H47 | 59.2° | 60.0° |
| H46 | C31 | S1 | H47 | 59.1° | 60.0° |
| C32 | N7 | H48 | C30 | 180.0° | 180.0° |
| N7 | C32 | C33 | C34 | 121.3° | 120.0° |
| N7 | C32 | C33 | H49 | 120.0° | 120.0° |
| N7 | C32 | C34 | H49 | 119.4° | 120.0° |
| N7 | C32 | C33 | H50 | 180.0° | 60.0° |
| N7 | C32 | C33 | H51 | 60.0° | 180.0° |
| N7 | C32 | C33 | H52 | 60.0° | 60.0° |
| N7 | C32 | C34 | O24 | 43.3° | 0.0° |
| N7 | C32 | C34 | N8 | 136.4° | 180.0° |
| H48 | N7 | C32 | C33 | 2.6° | 95.0° |
| H48 | N7 | C32 | C34 | 119.1° | 25.0° |
| H48 | N7 | C32 | H49 | 122.1° | 145.0° |
| C33 | C32 | C34 | H49 | 118.7° | 120.0° |
| C32 | C33 | H50 | H51 | 120.0° | 120.0° |
| C32 | C33 | H50 | H52 | 120.0° | 120.0° |
| C32 | C33 | H51 | H52 | 120.0° | 120.0° |
| C33 | C32 | C34 | O24 | 78.6° | 120.0° |
| C33 | C32 | N7 | C30 | 177.4° | 85.0° |
| C33 | C32 | C34 | N8 | 101.8° | 60.0° |
| C34 | C32 | C33 | H50 | 58.7° | 180.0° |
| C34 | C32 | C33 | H51 | 61.3° | 60.0° |
| C34 | C32 | C33 | H52 | 178.7° | 60.0° |
| C32 | C34 | O24 | N8 | 179.6° | 180.0° |
| C32 | C34 | N8 | C35 | 176.5° | 180.0° |
| C32 | C34 | N8 | H53 | 3.5° | 0.0° |
| C34 | C32 | N7 | C30 | 61.0° | 155.0° |
| H49 | C32 | C33 | H50 | 60.0° | 60.0° |
| H49 | C32 | C33 | H51 | 179.9° | 60.0° |
| H49 | C32 | C33 | H52 | 60.0° | 180.0° |
| H49 | C32 | C34 | O24 | 162.7° | 120.0° |
| H49 | C32 | N7 | C30 | 57.9° | 35.0° |
| H49 | C32 | C34 | N8 | 17.0° | 60.0° |
| H50 | C33 | H51 | H52 | 120.0° | 120.0° |
| O24 | C34 | N8 | C35 | 3.1° | 0.0° |
| O24 | C34 | N8 | H53 | 176.8° | 180.0° |
| C35 | N8 | H53 | C34 | 180.0° | 180.0° |
| N8 | C35 | C36 | C37 | 124.6° | 120.0° |
| N8 | C35 | C36 | H54 | 118.4° | 120.0° |
| N8 | C35 | C37 | H54 | 119.2° | 120.0° |
| N8 | C35 | C36 | H55 | 180.0° | 179.9° |
| N8 | C35 | C36 | H56 | 60.0° | 60.0° |
| N8 | C35 | C36 | H57 | 60.0° | 60.0° |
| N8 | C35 | C37 | O25 | 140.1° | 0.0° |
| N8 | C35 | C37 | O26 | 40.1° | 180.0° |
| H53 | N8 | C35 | C36 | 3.2° | 95.0° |
| H53 | N8 | C35 | C37 | 120.1° | 25.0° |
| H53 | N8 | C35 | H54 | 121.2° | 145.0° |
| C36 | C35 | C37 | H54 | 117.2° | 120.0° |
| C35 | C36 | H55 | H56 | 120.0° | 120.0° |
| C35 | C36 | H55 | H57 | 120.0° | 120.1° |
| C35 | C36 | H56 | H57 | 120.0° | 120.0° |
| C36 | C35 | C37 | O25 | 96.2° | 120.0° |
| C36 | C35 | C37 | O26 | 83.6° | 60.0° |
| C36 | C35 | N8 | C34 | 176.9° | 85.0° |
| C37 | C35 | C36 | H55 | 55.4° | 60.0° |
| C37 | C35 | C36 | H56 | 64.6° | 60.0° |
| C37 | C35 | C36 | H57 | 175.5° | 180.0° |
| C35 | C37 | O25 | O26 | 179.8° | 179.9° |
| C35 | C37 | O26 | H58 | 179.8° | 180.0° |
| C37 | C35 | N8 | C34 | 59.9° | 155.0° |
| H54 | C35 | C36 | H55 | 61.6° | 60.0° |
| H54 | C35 | C36 | H56 | 178.4° | 180.0° |
| H54 | C35 | C36 | H57 | 58.4° | 60.1° |
| H54 | C35 | C37 | O25 | 20.9° | 120.0° |
| H54 | C35 | C37 | O26 | 159.3° | 60.0° |
| H54 | C35 | N8 | C34 | 58.8° | 35.0° |
| H55 | C36 | H56 | H57 | 120.0° | 120.0° |
| O25 | C37 | O26 | H58 | 0.0° | 0.1° |
