17F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O3 | sing | 1.43Å | 1.38Å | |
| N1 | C2 | sing | 1.47Å | 1.43Å | |
| O1 | P1 | doub | 1.48Å | 1.51Å | |
| P1 | O6 | sing | 1.61Å | 1.60Å | |
| C2 | C1 | sing | 1.53Å | 1.48Å | |
| O2 | P1 | sing | 1.61Å | 1.51Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | O5 | sing | 1.34Å | 1.25Å | |
| O3 | P1 | sing | 1.61Å | 1.58Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| O4 | C3 | doub | 1.21Å | 1.26Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O9 | sing | 1.45Å | 1.41Å | |
| C6 | O7 | sing | 1.45Å | 1.38Å | |
| O6 | C4 | sing | 1.43Å | 1.41Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| O7 | C7 | sing | 1.34Å | 1.39Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| O8 | C7 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| O9 | C17 | sing | 1.34Å | 1.41Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C12 | C1X | sing | 1.53Å | 1.54Å | |
| C17 | O10 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| C20 | C1Y | sing | 1.53Å | 1.54Å | |
| C1Y | C1Z | sing | 1.53Å | 1.54Å | |
| C1X | C2X | sing | 1.53Å | 1.54Å | |
| C2X | C21 | sing | 1.51Å | 1.54Å | |
| C21 | C22 | doub | 1.31Å | 1.54Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C1Z | C31 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.51Å | 1.54Å | |
| C33 | C34 | doub | 1.31Å | 1.54Å | |
| C34 | C35 | sing | 1.51Å | 1.54Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C1X | H29 | sing | 1.09Å | 1.10Å | |
| C1X | H30 | sing | 1.09Å | 1.10Å | |
| C1Y | H31 | sing | 1.09Å | 1.10Å | |
| C1Y | H32 | sing | 1.09Å | 1.10Å | |
| C1Z | H33 | sing | 1.09Å | 1.10Å | |
| C1Z | H34 | sing | 1.09Å | 1.10Å | |
| C2X | H35 | sing | 1.09Å | 1.10Å | |
| C2X | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.08Å | 1.08Å | |
| C22 | H38 | sing | 1.08Å | 1.08Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H60 | sing | 1.08Å | 1.08Å | |
| C34 | H61 | sing | 1.08Å | 1.08Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| C39 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | H72 | sing | 1.09Å | 1.10Å | |
| C40 | H73 | sing | 1.09Å | 1.10Å | |
| C41 | H74 | sing | 1.09Å | 1.10Å | |
| C41 | H75 | sing | 1.09Å | 1.10Å | |
| C42 | H76 | sing | 1.09Å | 1.10Å | |
| C42 | H77 | sing | 1.09Å | 1.10Å | |
| C42 | H78 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C1 | C2 | 109.5° | 109.5° |
| C1 | O3 | P1 | 123.1° | 123.0° |
| O3 | C1 | H1 | 109.4° | 109.5° |
| O3 | C1 | H1A | 109.5° | 109.5° |
| N1 | C2 | C1 | 108.1° | 109.5° |
| N1 | C2 | C3 | 113.5° | 109.5° |
| C2 | N1 | HN1 | 109.5° | 111.0° |
| C2 | N1 | HN1A | 109.5° | 111.0° |
| N1 | C2 | H2 | 108.9° | 109.4° |
| O1 | P1 | O6 | 112.6° | 109.5° |
| O1 | P1 | O2 | 102.3° | 109.5° |
| O1 | P1 | O3 | 107.8° | 109.5° |
| O6 | P1 | O2 | 109.4° | 109.5° |
| O6 | P1 | O3 | 112.9° | 109.5° |
| P1 | O6 | C4 | 125.4° | 123.0° |
| C1 | C2 | C3 | 110.2° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.4° |
| C2 | C1 | H1A | 109.4° | 109.4° |
| C1 | C2 | H2 | 108.1° | 109.4° |
| O2 | P1 | O3 | 111.4° | 109.5° |
| P1 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O5 | 120.9° | 120.0° |
| C2 | C3 | O4 | 120.9° | 120.0° |
| C3 | C2 | H2 | 107.9° | 109.5° |
| O5 | C3 | O4 | 118.1° | 120.0° |
| C3 | O5 | HO5 | 109.5° | 117.0° |
| C4 | C5 | C6 | 109.7° | 109.4° |
| C4 | C5 | O9 | 111.4° | 109.4° |
| C5 | C4 | O6 | 116.1° | 109.5° |
| C5 | C4 | H4 | 107.8° | 109.4° |
| C5 | C4 | H4A | 107.8° | 109.5° |
| C4 | C5 | H5 | 106.2° | 109.5° |
| C6 | C5 | O9 | 115.3° | 109.5° |
| C5 | C6 | O7 | 114.5° | 109.5° |
| C6 | C5 | H5 | 106.3° | 109.5° |
| C5 | C6 | H6 | 108.2° | 109.4° |
| C5 | C6 | H6A | 108.2° | 109.5° |
| C5 | O9 | C17 | 129.5° | 117.0° |
| O9 | C5 | H5 | 107.5° | 109.5° |
| C6 | O7 | C7 | 123.4° | 117.0° |
| O7 | C6 | H6 | 108.2° | 109.5° |
| O7 | C6 | H6A | 108.2° | 109.5° |
| O6 | C4 | H4 | 107.8° | 109.5° |
| O6 | C4 | H4A | 107.8° | 109.5° |
| C8 | C7 | O7 | 119.5° | 120.0° |
| C7 | C8 | C9 | 116.8° | 109.5° |
| C8 | C7 | O8 | 117.2° | 120.0° |
| C7 | C8 | H8 | 107.6° | 109.5° |
| C7 | C8 | H8A | 107.6° | 109.5° |
| O7 | C7 | O8 | 116.9° | 120.0° |
| C8 | C9 | C10 | 109.5° | 109.5° |
| C9 | C8 | H8 | 107.6° | 109.5° |
| C9 | C8 | H8A | 107.6° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.4° | 109.5° |
| C9 | C10 | C11 | 110.8° | 109.5° |
| C10 | C9 | H9 | 109.5° | 109.5° |
| C10 | C9 | H9A | 109.5° | 109.4° |
| C9 | C10 | H10 | 109.1° | 109.5° |
| C9 | C10 | H10A | 109.1° | 109.4° |
| O9 | C17 | O10 | 120.1° | 120.0° |
| O9 | C17 | C18 | 121.3° | 120.0° |
| C10 | C11 | C12 | 110.4° | 109.5° |
| C11 | C10 | H10 | 109.1° | 109.5° |
| C11 | C10 | H10A | 109.1° | 109.5° |
| C10 | C11 | H11 | 109.2° | 109.5° |
| C10 | C11 | H11A | 109.2° | 109.5° |
| C11 | C12 | C1X | 109.5° | 109.4° |
| C12 | C11 | H11 | 109.2° | 109.5° |
| C12 | C11 | H11A | 109.2° | 109.5° |
| C11 | C12 | H12 | 109.5° | 109.5° |
| C11 | C12 | H12A | 109.5° | 109.5° |
| C12 | C1X | C2X | 109.5° | 109.4° |
| C1X | C12 | H12 | 109.5° | 109.5° |
| C1X | C12 | H12A | 109.4° | 109.5° |
| C12 | C1X | H29 | 109.5° | 109.5° |
| C12 | C1X | H30 | 109.5° | 109.5° |
| O10 | C17 | C18 | 111.2° | 120.0° |
| C17 | C18 | C19 | 108.5° | 109.5° |
| C17 | C18 | H18 | 109.7° | 109.5° |
| C17 | C18 | H18A | 109.7° | 109.5° |
| C18 | C19 | C20 | 112.7° | 109.5° |
| C19 | C18 | H18 | 109.7° | 109.5° |
| C19 | C18 | H18A | 109.7° | 109.4° |
| C18 | C19 | H19 | 108.6° | 109.5° |
| C18 | C19 | H19A | 108.7° | 109.5° |
| C19 | C20 | C1Y | 109.4° | 109.5° |
| C20 | C19 | H19 | 108.7° | 109.4° |
| C20 | C19 | H19A | 108.7° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.4° |
| C19 | C20 | H20A | 109.5° | 109.5° |
| C20 | C1Y | C1Z | 109.5° | 109.4° |
| C1Y | C20 | H20 | 109.5° | 109.5° |
| C1Y | C20 | H20A | 109.5° | 109.5° |
| C20 | C1Y | H31 | 109.5° | 109.5° |
| C20 | C1Y | H32 | 109.4° | 109.4° |
| C1Y | C1Z | C31 | 120.0° | 109.4° |
| C1Z | C1Y | H31 | 109.4° | 109.5° |
| C1Z | C1Y | H32 | 109.5° | 109.4° |
| C1Y | C1Z | H33 | 106.8° | 109.5° |
| C1Y | C1Z | H34 | 106.8° | 109.4° |
| C1X | C2X | C21 | 109.5° | 109.4° |
| C2X | C1X | H29 | 109.5° | 109.5° |
| C2X | C1X | H30 | 109.5° | 109.5° |
| C1X | C2X | H35 | 109.5° | 109.5° |
| C1X | C2X | H36 | 109.5° | 109.5° |
| C2X | C21 | C22 | 109.4° | 120.0° |
| C21 | C2X | H35 | 109.5° | 109.5° |
| C21 | C2X | H36 | 109.5° | 109.5° |
| C2X | C21 | H37 | 125.3° | 120.0° |
| C21 | C22 | C23 | 120.0° | 120.0° |
| C22 | C21 | H37 | 125.3° | 120.0° |
| C21 | C22 | H38 | 120.0° | 120.0° |
| C22 | C23 | C24 | 109.4° | 109.5° |
| C23 | C22 | H38 | 120.0° | 120.0° |
| C22 | C23 | H39 | 109.5° | 109.4° |
| C22 | C23 | H40 | 109.5° | 109.5° |
| C23 | C24 | C25 | 120.0° | 109.5° |
| C24 | C23 | H39 | 109.5° | 109.4° |
| C24 | C23 | H40 | 109.4° | 109.5° |
| C23 | C24 | H41 | 106.8° | 109.4° |
| C23 | C24 | H42 | 106.8° | 109.5° |
| C24 | C25 | C26 | 120.0° | 109.5° |
| C25 | C24 | H41 | 106.8° | 109.5° |
| C25 | C24 | H42 | 106.8° | 109.5° |
| C24 | C25 | H43 | 106.8° | 109.5° |
| C24 | C25 | H44 | 106.8° | 109.5° |
| C25 | C26 | C27 | 120.0° | 109.5° |
| C26 | C25 | H43 | 106.8° | 109.5° |
| C26 | C25 | H44 | 106.8° | 109.5° |
| C25 | C26 | H45 | 106.8° | 109.5° |
| C25 | C26 | H46 | 106.8° | 109.5° |
| C26 | C27 | C28 | 120.0° | 109.5° |
| C27 | C26 | H45 | 106.8° | 109.5° |
| C27 | C26 | H46 | 106.7° | 109.5° |
| C26 | C27 | H47 | 106.8° | 109.5° |
| C26 | C27 | H48 | 106.7° | 109.5° |
| C27 | C28 | C29 | 120.0° | 109.5° |
| C28 | C27 | H47 | 106.8° | 109.5° |
| C28 | C27 | H48 | 106.8° | 109.4° |
| C27 | C28 | H49 | 106.8° | 109.5° |
| C27 | C28 | H50 | 106.8° | 109.5° |
| C28 | C29 | C30 | 120.0° | 109.5° |
| C29 | C28 | H49 | 106.8° | 109.4° |
| C29 | C28 | H50 | 106.8° | 109.4° |
| C28 | C29 | H51 | 106.8° | 109.5° |
| C28 | C29 | H52 | 106.8° | 109.4° |
| C30 | C29 | H51 | 106.8° | 109.5° |
| C30 | C29 | H52 | 106.8° | 109.5° |
| C29 | C30 | H53 | 109.5° | 109.4° |
| C29 | C30 | H54 | 109.4° | 109.4° |
| C29 | C30 | H55 | 109.4° | 109.4° |
| C1Z | C31 | C32 | 120.0° | 109.4° |
| C31 | C1Z | H33 | 106.8° | 109.5° |
| C31 | C1Z | H34 | 106.8° | 109.5° |
| C1Z | C31 | H56 | 106.8° | 109.5° |
| C1Z | C31 | H57 | 106.8° | 109.5° |
| C31 | C32 | C33 | 120.0° | 109.5° |
| C32 | C31 | H56 | 106.8° | 109.5° |
| C32 | C31 | H57 | 106.8° | 109.4° |
| C31 | C32 | H58 | 106.8° | 109.5° |
| C31 | C32 | H59 | 106.8° | 109.4° |
| C32 | C33 | C34 | 120.0° | 120.0° |
| C33 | C32 | H58 | 106.8° | 109.5° |
| C33 | C32 | H59 | 106.8° | 109.5° |
| C32 | C33 | H60 | 120.0° | 120.0° |
| C33 | C34 | C35 | 109.5° | 120.0° |
| C34 | C33 | H60 | 120.0° | 120.0° |
| C33 | C34 | H61 | 125.3° | 120.0° |
| C34 | C35 | C36 | 120.0° | 109.5° |
| C35 | C34 | H61 | 125.3° | 120.0° |
| C34 | C35 | H62 | 106.8° | 109.5° |
| C34 | C35 | H63 | 106.8° | 109.5° |
| C35 | C36 | C37 | 120.0° | 109.5° |
| C36 | C35 | H62 | 106.8° | 109.5° |
| C36 | C35 | H63 | 106.8° | 109.5° |
| C35 | C36 | H64 | 106.8° | 109.5° |
| C35 | C36 | H65 | 106.8° | 109.5° |
| C36 | C37 | C38 | 120.1° | 109.5° |
| C37 | C36 | H64 | 106.8° | 109.4° |
| C37 | C36 | H65 | 106.8° | 109.5° |
| C36 | C37 | H66 | 106.8° | 109.5° |
| C36 | C37 | H67 | 106.8° | 109.5° |
| C37 | C38 | C39 | 120.0° | 109.5° |
| C38 | C37 | H66 | 106.8° | 109.5° |
| C38 | C37 | H67 | 106.8° | 109.5° |
| C37 | C38 | H68 | 106.8° | 109.5° |
| C37 | C38 | H69 | 106.8° | 109.5° |
| C38 | C39 | C40 | 120.0° | 109.5° |
| C39 | C38 | H68 | 106.8° | 109.4° |
| C39 | C38 | H69 | 106.8° | 109.5° |
| C38 | C39 | H70 | 106.8° | 109.4° |
| C38 | C39 | H71 | 106.8° | 109.5° |
| C39 | C40 | C41 | 120.0° | 109.5° |
| C40 | C39 | H70 | 106.8° | 109.5° |
| C40 | C39 | H71 | 106.8° | 109.5° |
| C39 | C40 | H72 | 106.8° | 109.5° |
| C39 | C40 | H73 | 106.8° | 109.5° |
| C40 | C41 | C42 | 120.0° | 109.5° |
| C41 | C40 | H72 | 106.8° | 109.4° |
| C41 | C40 | H73 | 106.8° | 109.4° |
| C40 | C41 | H74 | 106.8° | 109.5° |
| C40 | C41 | H75 | 106.8° | 109.5° |
| C42 | C41 | H74 | 106.8° | 109.4° |
| C42 | C41 | H75 | 106.8° | 109.5° |
| C41 | C42 | H76 | 109.5° | 109.5° |
| C41 | C42 | H77 | 109.5° | 109.5° |
| C41 | C42 | H78 | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| HN1 | N1 | HN1A | 109.4° | 111.0° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.4° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H29 | C1X | H30 | 109.5° | 109.5° |
| H31 | C1Y | H32 | 109.5° | 109.5° |
| H33 | C1Z | H34 | 109.5° | 109.5° |
| H35 | C2X | H36 | 109.4° | 109.5° |
| H39 | C23 | H40 | 109.5° | 109.5° |
| H41 | C24 | H42 | 109.5° | 109.5° |
| H43 | C25 | H44 | 109.5° | 109.4° |
| H45 | C26 | H46 | 109.5° | 109.4° |
| H47 | C27 | H48 | 109.5° | 109.5° |
| H49 | C28 | H50 | 109.5° | 109.5° |
| H51 | C29 | H52 | 109.5° | 109.4° |
| H53 | C30 | H54 | 109.5° | 109.5° |
| H53 | C30 | H55 | 109.5° | 109.5° |
| H54 | C30 | H55 | 109.5° | 109.5° |
| H56 | C31 | H57 | 109.5° | 109.5° |
| H58 | C32 | H59 | 109.5° | 109.5° |
| H62 | C35 | H63 | 109.5° | 109.5° |
| H64 | C36 | H65 | 109.5° | 109.5° |
| H66 | C37 | H67 | 109.4° | 109.4° |
| H68 | C38 | H69 | 109.4° | 109.5° |
| H70 | C39 | H71 | 109.5° | 109.5° |
| H72 | C40 | H73 | 109.4° | 109.5° |
| H74 | C41 | H75 | 109.4° | 109.5° |
| H76 | C42 | H77 | 109.4° | 109.5° |
| H76 | C42 | H78 | 109.5° | 109.4° |
| H77 | C42 | H78 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C1 | C2 | N1 | 68.6° | 64.9° |
| C1 | O3 | P1 | O1 | 143.2° | 55.0° |
| C1 | O3 | P1 | O6 | 91.8° | 174.9° |
| O3 | C1 | C2 | H1 | 120.0° | 120.0° |
| O3 | C1 | C2 | H1A | 120.0° | 120.1° |
| C1 | O3 | P1 | O2 | 31.7° | 65.0° |
| O3 | C1 | C2 | C3 | 166.9° | 175.0° |
| O3 | C1 | H1 | H1A | 120.0° | 120.1° |
| O3 | C1 | C2 | H2 | 49.2° | 55.0° |
| N1 | C2 | C1 | C3 | 124.5° | 120.0° |
| N1 | C2 | C1 | H2 | 117.7° | 119.9° |
| N1 | C2 | C3 | H2 | 120.8° | 120.0° |
| N1 | C2 | C3 | O5 | 105.4° | 160.0° |
| N1 | C2 | C3 | O4 | 78.5° | 20.0° |
| N1 | C2 | C1 | H1 | 171.4° | 55.1° |
| N1 | C2 | C1 | H1A | 51.5° | 175.0° |
| C2 | N1 | HN1 | HN1A | 120.0° | 124.0° |
| O1 | P1 | O6 | O2 | 113.1° | 120.0° |
| O1 | P1 | O6 | O3 | 122.3° | 120.0° |
| O1 | P1 | O2 | O3 | 114.9° | 120.0° |
| O1 | P1 | O6 | C4 | 76.8° | 55.0° |
| O1 | P1 | O2 | HO2 | 0.0° | 180.0° |
| O6 | P1 | O2 | O3 | 125.5° | 120.0° |
| P1 | O6 | C4 | C5 | 168.8° | 180.0° |
| O6 | P1 | O2 | HO2 | 119.6° | 60.0° |
| P1 | O6 | C4 | H4 | 47.8° | 60.1° |
| P1 | O6 | C4 | H4A | 70.3° | 60.0° |
| C1 | C2 | C3 | H2 | 117.9° | 120.0° |
| C1 | C2 | C3 | O5 | 16.0° | 80.0° |
| C2 | C1 | O3 | P1 | 82.4° | 180.0° |
| C1 | C2 | C3 | O4 | 160.1° | 100.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C1 | C2 | N1 | HN1 | 180.0° | 60.1° |
| C1 | C2 | N1 | HN1A | 60.0° | 63.9° |
| O2 | P1 | O6 | C4 | 36.3° | 65.0° |
| C2 | C3 | O5 | O4 | 176.2° | 180.0° |
| C3 | C2 | C1 | H1 | 46.9° | 65.0° |
| C3 | C2 | C1 | H1A | 73.1° | 55.0° |
| C3 | C2 | N1 | HN1 | 57.5° | 60.0° |
| C3 | C2 | N1 | HN1A | 62.5° | 176.0° |
| C2 | C3 | O5 | HO5 | 176.2° | 180.0° |
| O5 | C3 | C2 | H2 | 133.8° | 40.0° |
| O3 | P1 | O6 | C4 | 160.9° | 175.0° |
| P1 | O3 | C1 | H1 | 37.6° | 60.1° |
| P1 | O3 | C1 | H1A | 157.6° | 60.0° |
| O3 | P1 | O2 | HO2 | 114.9° | 60.0° |
| C4 | C5 | C6 | O9 | 126.7° | 120.0° |
| C4 | C5 | C6 | H5 | 114.4° | 120.0° |
| C4 | C5 | O9 | H5 | 115.9° | 120.0° |
| C4 | C5 | C6 | O7 | 106.6° | 55.0° |
| C5 | C4 | O6 | H4 | 121.0° | 120.0° |
| C5 | C4 | O6 | H4A | 120.9° | 120.0° |
| C4 | C5 | O9 | C17 | 175.8° | 90.0° |
| C5 | C4 | H4 | H4A | 117.0° | 120.0° |
| C4 | C5 | C6 | H6 | 132.6° | 174.9° |
| C4 | C5 | C6 | H6A | 14.1° | 65.0° |
| O4 | C3 | C2 | H2 | 42.2° | 140.0° |
| O4 | C3 | O5 | HO5 | 0.0° | 0.0° |
| C6 | C5 | O9 | H5 | 118.3° | 120.1° |
| C5 | C6 | O7 | H6 | 120.7° | 120.0° |
| C5 | C6 | O7 | H6A | 120.8° | 120.0° |
| C6 | C5 | C4 | O6 | 80.3° | 55.0° |
| C5 | C6 | O7 | C7 | 144.9° | 180.0° |
| C6 | C5 | O9 | C17 | 49.9° | 150.0° |
| C6 | C5 | C4 | H4 | 158.8° | 65.0° |
| C6 | C5 | C4 | H4A | 40.7° | 175.0° |
| C5 | C6 | H6 | H6A | 117.7° | 120.0° |
| O9 | C5 | C6 | O7 | 20.1° | 65.0° |
| O9 | C5 | C4 | O6 | 150.9° | 65.0° |
| C5 | O9 | C17 | O10 | 81.8° | 0.0° |
| C5 | O9 | C17 | C18 | 131.0° | 180.0° |
| O9 | C5 | C4 | H4 | 29.9° | 175.0° |
| O9 | C5 | C4 | H4A | 88.2° | 55.0° |
| O9 | C5 | C6 | H6 | 100.7° | 55.0° |
| O9 | C5 | C6 | H6A | 140.8° | 175.0° |
| C6 | O7 | C7 | C8 | 167.0° | 180.0° |
| C6 | O7 | C7 | O8 | 41.8° | 0.0° |
| O7 | C6 | C5 | H5 | 139.0° | 175.0° |
| O7 | C6 | H6 | H6A | 117.7° | 120.0° |
| O6 | C4 | H4 | H4A | 117.0° | 120.0° |
| O6 | C4 | C5 | H5 | 34.2° | 175.0° |
| C8 | C7 | O7 | O8 | 151.2° | 180.0° |
| C7 | C8 | C9 | H8 | 121.1° | 120.0° |
| C7 | C8 | C9 | H8A | 121.1° | 120.0° |
| C7 | C8 | C9 | C10 | 173.8° | 180.0° |
| C7 | C8 | H8 | H8A | 116.7° | 120.0° |
| C7 | C8 | C9 | H9 | 66.2° | 60.0° |
| C7 | C8 | C9 | H9A | 53.8° | 60.0° |
| O7 | C7 | C8 | C9 | 135.2° | 180.0° |
| C7 | O7 | C6 | H6 | 24.2° | 60.0° |
| C7 | O7 | C6 | H6A | 94.3° | 60.0° |
| O7 | C7 | C8 | H8 | 103.8° | 60.0° |
| O7 | C7 | C8 | H8A | 14.1° | 60.0° |
| C9 | C8 | C7 | O8 | 73.7° | 0.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 95.8° | 180.0° |
| C9 | C8 | H8 | H8A | 116.7° | 120.0° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C8 | C9 | C10 | H10 | 24.4° | 60.0° |
| C8 | C9 | C10 | H10A | 144.0° | 60.0° |
| O8 | C7 | C8 | H8 | 47.3° | 120.0° |
| O8 | C7 | C8 | H8A | 165.2° | 120.0° |
| C9 | C10 | C11 | H10 | 120.2° | 120.0° |
| C9 | C10 | C11 | H10A | 120.2° | 120.0° |
| C9 | C10 | C11 | C12 | 164.1° | 180.0° |
| C10 | C9 | C8 | H8 | 52.7° | 60.0° |
| C10 | C9 | C8 | H8A | 65.2° | 60.0° |
| C10 | C9 | H9 | H9A | 120.0° | 120.0° |
| C9 | C10 | H10 | H10A | 119.4° | 120.0° |
| C9 | C10 | C11 | H11 | 75.8° | 60.0° |
| C9 | C10 | C11 | H11A | 43.9° | 60.0° |
| O9 | C17 | O10 | C18 | 150.3° | 180.0° |
| O9 | C17 | C18 | C19 | 152.9° | 180.0° |
| C17 | O9 | C5 | H5 | 68.3° | 30.0° |
| O9 | C17 | C18 | H18 | 33.1° | 59.9° |
| O9 | C17 | C18 | H18A | 87.2° | 60.1° |
| C10 | C11 | C12 | H11 | 120.1° | 120.0° |
| C10 | C11 | C12 | H11A | 120.1° | 120.0° |
| C10 | C11 | C12 | C1X | 179.8° | 180.0° |
| C11 | C10 | C9 | H9 | 144.2° | 60.0° |
| C11 | C10 | C9 | H9A | 24.2° | 60.0° |
| C11 | C10 | H10 | H10A | 119.3° | 120.0° |
| C10 | C11 | H11 | H11A | 119.5° | 120.0° |
| C10 | C11 | C12 | H12 | 60.2° | 60.0° |
| C10 | C11 | C12 | H12A | 59.8° | 60.0° |
| C11 | C12 | C1X | H12 | 120.0° | 120.0° |
| C11 | C12 | C1X | H12A | 120.0° | 120.0° |
| C11 | C12 | C1X | C2X | 114.1° | 180.0° |
| C12 | C11 | C10 | H10 | 43.8° | 60.0° |
| C12 | C11 | C10 | H10A | 75.7° | 60.0° |
| C12 | C11 | H11 | H11A | 119.6° | 120.0° |
| C11 | C12 | H12 | H12A | 120.0° | 120.0° |
| C11 | C12 | C1X | H29 | 5.9° | 60.0° |
| C11 | C12 | C1X | H30 | 125.9° | 60.0° |
| C12 | C1X | C2X | H29 | 120.0° | 120.0° |
| C12 | C1X | C2X | H30 | 120.0° | 120.0° |
| C12 | C1X | C2X | C21 | 124.3° | 180.0° |
| C1X | C12 | C11 | H11 | 59.6° | 60.0° |
| C1X | C12 | C11 | H11A | 60.1° | 60.0° |
| C1X | C12 | H12 | H12A | 120.0° | 120.0° |
| C12 | C1X | H29 | H30 | 120.0° | 120.0° |
| C12 | C1X | C2X | H35 | 4.3° | 60.0° |
| C12 | C1X | C2X | H36 | 115.7° | 60.0° |
| O10 | C17 | C18 | C19 | 3.1° | 0.0° |
| O10 | C17 | C18 | H18 | 116.7° | 120.0° |
| O10 | C17 | C18 | H18A | 123.0° | 120.0° |
| C17 | C18 | C19 | H18 | 119.8° | 120.0° |
| C17 | C18 | C19 | H18A | 119.8° | 119.9° |
| C17 | C18 | C19 | C20 | 174.9° | 180.0° |
| C17 | C18 | H18 | H18A | 120.4° | 120.0° |
| C17 | C18 | C19 | H19 | 54.5° | 60.0° |
| C17 | C18 | C19 | H19A | 64.6° | 60.0° |
| C18 | C19 | C20 | H19 | 120.5° | 120.0° |
| C18 | C19 | C20 | H19A | 120.5° | 120.0° |
| C18 | C19 | C20 | C1Y | 109.7° | NaN° |
| C19 | C18 | H18 | H18A | 120.5° | 120.0° |
| C18 | C19 | H19 | H19A | 118.5° | 120.0° |
| C18 | C19 | C20 | H20 | 130.3° | 60.0° |
| C18 | C19 | C20 | H20A | 10.3° | 60.0° |
| C19 | C20 | C1Y | H20 | 120.0° | 120.0° |
| C19 | C20 | C1Y | H20A | 120.0° | 120.0° |
| C19 | C20 | C1Y | C1Z | 136.0° | 180.0° |
| C20 | C19 | C18 | H18 | 65.2° | 60.0° |
| C20 | C19 | C18 | H18A | 55.1° | 60.0° |
| C20 | C19 | H19 | H19A | 118.5° | 120.0° |
| C19 | C20 | H20 | H20A | 120.0° | 120.0° |
| C19 | C20 | C1Y | H31 | 16.0° | 60.0° |
| C19 | C20 | C1Y | H32 | 104.0° | 60.0° |
| C20 | C1Y | C1Z | H31 | 120.0° | 120.0° |
| C20 | C1Y | C1Z | H32 | 120.0° | 119.9° |
| C20 | C1Y | C1Z | C31 | 180.0° | 180.0° |
| C1Y | C20 | C19 | H19 | 10.7° | 60.0° |
| C1Y | C20 | C19 | H19A | 129.8° | 60.0° |
| C1Y | C20 | H20 | H20A | 120.0° | 120.0° |
| C20 | C1Y | H31 | H32 | 120.0° | 120.0° |
| C20 | C1Y | C1Z | H33 | 58.5° | 60.0° |
| C20 | C1Y | C1Z | H34 | 58.6° | 60.0° |
| C1Y | C1Z | C31 | H33 | 121.5° | 120.0° |
| C1Y | C1Z | C31 | H34 | 121.5° | 119.9° |
| C1Y | C1Z | C31 | C32 | 180.0° | 180.0° |
| C1Z | C1Y | C20 | H20 | 104.1° | 60.0° |
| C1Z | C1Y | C20 | H20A | 15.9° | 60.1° |
| C1Z | C1Y | H31 | H32 | 120.0° | 120.0° |
| C1Y | C1Z | H33 | H34 | 115.3° | 119.9° |
| C1Y | C1Z | C31 | H56 | 58.5° | 60.0° |
| C1Y | C1Z | C31 | H57 | 58.5° | 60.1° |
| C1X | C2X | C21 | H35 | 120.0° | 120.0° |
| C1X | C2X | C21 | H36 | 120.0° | 120.0° |
| C1X | C2X | C21 | C22 | 61.5° | 127.6° |
| C2X | C1X | C12 | H12 | 125.9° | 60.0° |
| C2X | C1X | C12 | H12A | 5.9° | 60.0° |
| C2X | C1X | H29 | H30 | 120.0° | 120.0° |
| C1X | C2X | H35 | H36 | 120.0° | 120.0° |
| C1X | C2X | C21 | H37 | 118.5° | 52.3° |
| C2X | C21 | C22 | H37 | 180.0° | 180.0° |
| C2X | C21 | C22 | C23 | 29.2° | 7.5° |
| C21 | C2X | C1X | H29 | 115.7° | 60.0° |
| C21 | C2X | C1X | H30 | 4.3° | 60.0° |
| C21 | C2X | H35 | H36 | 120.0° | 120.0° |
| C2X | C21 | C22 | H38 | 150.9° | 172.5° |
| C21 | C22 | C23 | H38 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 47.5° | 126.4° |
| C22 | C21 | C2X | H35 | 178.5° | 7.6° |
| C22 | C21 | C2X | H36 | 58.6° | 112.4° |
| C21 | C22 | C23 | H39 | 167.4° | 113.7° |
| C21 | C22 | C23 | H40 | 72.5° | 6.3° |
| C22 | C23 | C24 | H39 | 120.0° | 119.9° |
| C22 | C23 | C24 | H40 | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 179.9° | 180.0° |
| C23 | C22 | C21 | H37 | 150.8° | 172.5° |
| C22 | C23 | H39 | H40 | 120.0° | 120.0° |
| C22 | C23 | C24 | H41 | 58.5° | 60.0° |
| C22 | C23 | C24 | H42 | 58.6° | 60.0° |
| C23 | C24 | C25 | H41 | 121.5° | 119.9° |
| C23 | C24 | C25 | H42 | 121.5° | 120.0° |
| C23 | C24 | C25 | C26 | 180.0° | 180.0° |
| C24 | C23 | C22 | H38 | 132.6° | 53.6° |
| C24 | C23 | H39 | H40 | 120.0° | 120.1° |
| C23 | C24 | H41 | H42 | 115.3° | 120.0° |
| C23 | C24 | C25 | H43 | 58.5° | 60.0° |
| C23 | C24 | C25 | H44 | 58.5° | 60.0° |
| C24 | C25 | C26 | H43 | 121.5° | 120.0° |
| C24 | C25 | C26 | H44 | 121.5° | 120.0° |
| C24 | C25 | C26 | C27 | 180.0° | 180.0° |
| C25 | C24 | C23 | H39 | 60.1° | 60.1° |
| C25 | C24 | C23 | H40 | 60.0° | 60.0° |
| C25 | C24 | H41 | H42 | 115.2° | 120.1° |
| C24 | C25 | H43 | H44 | 115.2° | 120.0° |
| C24 | C25 | C26 | H45 | 58.5° | 60.0° |
| C24 | C25 | C26 | H46 | 58.5° | 60.0° |
| C25 | C26 | C27 | H45 | 121.5° | 120.0° |
| C25 | C26 | C27 | H46 | 121.5° | 120.0° |
| C25 | C26 | C27 | C28 | 180.0° | 180.0° |
| C26 | C25 | C24 | H41 | 58.5° | 60.0° |
| C26 | C25 | C24 | H42 | 58.5° | 60.0° |
| C26 | C25 | H43 | H44 | 115.3° | 120.0° |
| C25 | C26 | H45 | H46 | 115.2° | 120.0° |
| C25 | C26 | C27 | H47 | 58.5° | 60.0° |
| C25 | C26 | C27 | H48 | 58.5° | 60.0° |
| C26 | C27 | C28 | H47 | 121.5° | 120.0° |
| C26 | C27 | C28 | H48 | 121.5° | 120.0° |
| C26 | C27 | C28 | C29 | 180.0° | 180.0° |
| C27 | C26 | C25 | H43 | 58.5° | 60.0° |
| C27 | C26 | C25 | H44 | 58.6° | 60.0° |
| C27 | C26 | H45 | H46 | 115.2° | 120.0° |
| C26 | C27 | H47 | H48 | 115.2° | 120.0° |
| C26 | C27 | C28 | H49 | 58.5° | 60.0° |
| C26 | C27 | C28 | H50 | 58.5° | 60.0° |
| C27 | C28 | C29 | H49 | 121.5° | 120.0° |
| C27 | C28 | C29 | H50 | 121.5° | 120.0° |
| C27 | C28 | C29 | C30 | 180.0° | 180.0° |
| C28 | C27 | C26 | H45 | 58.5° | 60.0° |
| C28 | C27 | C26 | H46 | 58.5° | 60.0° |
| C28 | C27 | H47 | H48 | 115.2° | 120.0° |
| C27 | C28 | H49 | H50 | 115.2° | 120.1° |
| C27 | C28 | C29 | H51 | 58.5° | 60.0° |
| C27 | C28 | C29 | H52 | 58.5° | 60.0° |
| C28 | C29 | C30 | H51 | 121.5° | 120.0° |
| C28 | C29 | C30 | H52 | 121.5° | 120.0° |
| C29 | C28 | C27 | H47 | 58.5° | 60.0° |
| C29 | C28 | C27 | H48 | 58.5° | 60.0° |
| C29 | C28 | H49 | H50 | 115.2° | 119.9° |
| C28 | C29 | H51 | H52 | 115.2° | 119.9° |
| C28 | C29 | C30 | H53 | 180.0° | 60.0° |
| C28 | C29 | C30 | H54 | 60.0° | 60.0° |
| C28 | C29 | C30 | H55 | 60.0° | 180.0° |
| C30 | C29 | C28 | H49 | 58.5° | 60.0° |
| C30 | C29 | C28 | H50 | 58.5° | 60.0° |
| C30 | C29 | H51 | H52 | 115.3° | 120.0° |
| C29 | C30 | H53 | H54 | 120.0° | 119.9° |
| C29 | C30 | H53 | H55 | 120.0° | 120.0° |
| C29 | C30 | H54 | H55 | 120.0° | 120.0° |
| C1Z | C31 | C32 | H56 | 121.5° | 120.0° |
| C1Z | C31 | C32 | H57 | 121.5° | 120.0° |
| C1Z | C31 | C32 | C33 | 180.0° | 180.0° |
| C31 | C1Z | C1Y | H31 | 60.0° | 60.0° |
| C31 | C1Z | C1Y | H32 | 60.0° | 60.1° |
| C31 | C1Z | H33 | H34 | 115.2° | 120.1° |
| C1Z | C31 | H56 | H57 | 115.3° | 120.0° |
| C1Z | C31 | C32 | H58 | 58.5° | 60.0° |
| C1Z | C31 | C32 | H59 | 58.5° | 60.0° |
| C31 | C32 | C33 | H58 | 121.5° | 120.0° |
| C31 | C32 | C33 | H59 | 121.5° | 119.9° |
| C31 | C32 | C33 | C34 | 180.0° | 127.6° |
| C32 | C31 | C1Z | H33 | 58.5° | 60.0° |
| C32 | C31 | C1Z | H34 | 58.6° | 60.1° |
| C32 | C31 | H56 | H57 | 115.2° | 120.0° |
| C31 | C32 | H58 | H59 | 115.2° | 119.9° |
| C31 | C32 | C33 | H60 | 0.0° | 52.3° |
| C32 | C33 | C34 | H60 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 21.8° | 7.5° |
| C33 | C32 | C31 | H56 | 58.5° | 60.0° |
| C33 | C32 | C31 | H57 | 58.5° | 60.1° |
| C33 | C32 | H58 | H59 | 115.3° | 120.0° |
| C32 | C33 | C34 | H61 | 158.2° | 172.4° |
| C33 | C34 | C35 | H61 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 180.0° | 126.4° |
| C34 | C33 | C32 | H58 | 58.5° | 7.6° |
| C34 | C33 | C32 | H59 | 58.5° | 112.4° |
| C33 | C34 | C35 | H62 | 58.5° | 113.6° |
| C33 | C34 | C35 | H63 | 58.6° | 6.4° |
| C34 | C35 | C36 | H62 | 121.5° | 120.0° |
| C34 | C35 | C36 | H63 | 121.5° | 120.0° |
| C34 | C35 | C36 | C37 | 180.0° | 180.0° |
| C35 | C34 | C33 | H60 | 158.3° | 172.5° |
| C34 | C35 | H62 | H63 | 115.3° | 120.0° |
| C34 | C35 | C36 | H64 | 58.5° | 60.0° |
| C34 | C35 | C36 | H65 | 58.5° | 60.0° |
| C35 | C36 | C37 | H64 | 121.5° | 120.0° |
| C35 | C36 | C37 | H65 | 121.5° | 120.0° |
| C35 | C36 | C37 | C38 | 180.0° | 180.0° |
| C36 | C35 | C34 | H61 | 0.0° | 53.7° |
| C36 | C35 | H62 | H63 | 115.2° | 120.0° |
| C35 | C36 | H64 | H65 | 115.2° | 120.0° |
| C35 | C36 | C37 | H66 | 58.5° | 60.0° |
| C35 | C36 | C37 | H67 | 58.4° | 60.0° |
| C36 | C37 | C38 | H66 | 121.5° | 120.0° |
| C36 | C37 | C38 | H67 | 121.5° | 120.0° |
| C36 | C37 | C38 | C39 | 180.0° | 180.0° |
| C37 | C36 | C35 | H62 | 58.5° | 60.0° |
| C37 | C36 | C35 | H63 | 58.5° | 60.0° |
| C37 | C36 | H64 | H65 | 115.2° | 120.0° |
| C36 | C37 | H66 | H67 | 115.2° | 120.0° |
| C36 | C37 | C38 | H68 | 58.5° | 60.0° |
| C36 | C37 | C38 | H69 | 58.5° | 60.0° |
| C37 | C38 | C39 | H68 | 121.5° | 120.0° |
| C37 | C38 | C39 | H69 | 121.5° | 120.0° |
| C37 | C38 | C39 | C40 | 180.0° | 180.0° |
| C38 | C37 | C36 | H64 | 58.5° | 60.0° |
| C38 | C37 | C36 | H65 | 58.6° | 60.0° |
| C38 | C37 | H66 | H67 | 115.2° | 120.0° |
| C37 | C38 | H68 | H69 | 115.2° | 120.0° |
| C37 | C38 | C39 | H70 | 58.5° | 60.0° |
| C37 | C38 | C39 | H71 | 58.6° | 60.0° |
| C38 | C39 | C40 | H70 | 121.5° | 119.9° |
| C38 | C39 | C40 | H71 | 121.5° | 120.0° |
| C38 | C39 | C40 | C41 | 180.0° | NaN° |
| C39 | C38 | C37 | H66 | 58.5° | 60.0° |
| C39 | C38 | C37 | H67 | 58.5° | 60.0° |
| C39 | C38 | H68 | H69 | 115.2° | 120.0° |
| C38 | C39 | H70 | H71 | 115.3° | 120.0° |
| C38 | C39 | C40 | H72 | 58.5° | 60.0° |
| C38 | C39 | C40 | H73 | 58.5° | 60.0° |
| C39 | C40 | C41 | H72 | 121.5° | 120.0° |
| C39 | C40 | C41 | H73 | 121.5° | 120.0° |
| C39 | C40 | C41 | C42 | 180.0° | 180.0° |
| C40 | C39 | C38 | H68 | 58.5° | 60.0° |
| C40 | C39 | C38 | H69 | 58.5° | 60.0° |
| C40 | C39 | H70 | H71 | 115.2° | 120.0° |
| C39 | C40 | H72 | H73 | 115.2° | 120.1° |
| C39 | C40 | C41 | H74 | 58.5° | 60.1° |
| C39 | C40 | C41 | H75 | 58.5° | 60.0° |
| C40 | C41 | C42 | H74 | 121.5° | 120.0° |
| C40 | C41 | C42 | H75 | 121.5° | 120.0° |
| C41 | C40 | C39 | H70 | 58.5° | 60.1° |
| C41 | C40 | C39 | H71 | 58.5° | 60.0° |
| C41 | C40 | H72 | H73 | 115.2° | 119.9° |
| C40 | C41 | H74 | H75 | 115.2° | 120.0° |
| C40 | C41 | C42 | H76 | 180.0° | 60.0° |
| C40 | C41 | C42 | H77 | 60.0° | 60.0° |
| C40 | C41 | C42 | H78 | 60.0° | 180.0° |
| C42 | C41 | C40 | H72 | 58.5° | 60.0° |
| C42 | C41 | C40 | H73 | 58.5° | 60.0° |
| C42 | C41 | H74 | H75 | 115.2° | 120.0° |
| C41 | C42 | H76 | H77 | 120.0° | 120.0° |
| C41 | C42 | H76 | H78 | 120.0° | 120.0° |
| C41 | C42 | H77 | H78 | 120.0° | 120.1° |
| H1 | C1 | C2 | H2 | 70.9° | 175.0° |
| H1A | C1 | C2 | H2 | 169.2° | 65.1° |
| HN1 | N1 | C2 | H2 | 62.8° | 180.0° |
| HN1A | N1 | C2 | H2 | 177.2° | 56.0° |
| H4 | C4 | C5 | H5 | 86.8° | 55.0° |
| H4A | C4 | C5 | H5 | 155.1° | 65.0° |
| H5 | C5 | C6 | H6 | 18.3° | 65.1° |
| H5 | C5 | C6 | H6A | 100.2° | 55.0° |
| H8 | C8 | C9 | H9 | 172.7° | 180.0° |
| H8 | C8 | C9 | H9A | 67.3° | 60.0° |
| H8A | C8 | C9 | H9 | 54.9° | 60.0° |
| H8A | C8 | C9 | H9A | 174.8° | 180.0° |
| H9 | C9 | C10 | H10 | 95.6° | 180.0° |
| H9 | C9 | C10 | H10A | 24.0° | 60.0° |
| H9A | C9 | C10 | H10 | 144.4° | 60.0° |
| H9A | C9 | C10 | H10A | 96.0° | 180.0° |
| H10 | C10 | C11 | H11 | 163.9° | 180.0° |
| H10 | C10 | C11 | H11A | 76.3° | 60.0° |
| H10A | C10 | C11 | H11 | 44.4° | 60.0° |
| H10A | C10 | C11 | H11A | 164.1° | 180.0° |
| H11 | C11 | C12 | H12 | 179.7° | 180.0° |
| H11 | C11 | C12 | H12A | 60.3° | 60.0° |
| H11A | C11 | C12 | H12 | 59.9° | 60.0° |
| H11A | C11 | C12 | H12A | 179.9° | NaN° |
| H12 | C12 | C1X | H29 | 114.1° | 180.0° |
| H12 | C12 | C1X | H30 | 5.9° | 60.0° |
| H12A | C12 | C1X | H29 | 125.9° | 60.0° |
| H12A | C12 | C1X | H30 | 114.1° | 180.0° |
| H18 | C18 | C19 | H19 | 174.3° | 180.0° |
| H18 | C18 | C19 | H19A | 55.3° | 60.0° |
| H18A | C18 | C19 | H19 | 65.4° | 59.9° |
| H18A | C18 | C19 | H19A | 175.6° | 180.0° |
| H19 | C19 | C20 | H20 | 109.3° | 180.0° |
| H19 | C19 | C20 | H20A | 130.7° | 60.0° |
| H19A | C19 | C20 | H20 | 9.8° | 60.0° |
| H19A | C19 | C20 | H20A | 110.2° | 180.0° |
| H20 | C20 | C1Y | H31 | 136.0° | 180.0° |
| H20 | C20 | C1Y | H32 | 15.9° | 59.9° |
| H20A | C20 | C1Y | H31 | 104.0° | 60.0° |
| H20A | C20 | C1Y | H32 | 135.9° | 180.0° |
| H29 | C1X | C2X | H35 | 124.3° | 180.0° |
| H29 | C1X | C2X | H36 | 4.3° | 60.0° |
| H30 | C1X | C2X | H35 | 115.7° | 60.0° |
| H30 | C1X | C2X | H36 | 124.3° | 180.0° |
| H31 | C1Y | C1Z | H33 | 178.5° | 180.0° |
| H31 | C1Y | C1Z | H34 | 61.4° | 60.0° |
| H32 | C1Y | C1Z | H33 | 61.5° | 60.0° |
| H32 | C1Y | C1Z | H34 | 178.5° | 179.9° |
| H33 | C1Z | C31 | H56 | 180.0° | 180.0° |
| H33 | C1Z | C31 | H57 | 63.0° | 60.0° |
| H34 | C1Z | C31 | H56 | 62.9° | 59.9° |
| H34 | C1Z | C31 | H57 | 180.0° | 180.0° |
| H35 | C2X | C21 | H37 | 1.5° | 172.3° |
| H36 | C2X | C21 | H37 | 121.4° | 67.6° |
| H37 | C21 | C22 | H38 | 29.1° | 7.5° |
| H38 | C22 | C23 | H39 | 12.6° | 66.3° |
| H38 | C22 | C23 | H40 | 107.5° | 173.7° |
| H39 | C23 | C24 | H41 | 178.5° | 179.9° |
| H39 | C23 | C24 | H42 | 61.4° | 59.9° |
| H40 | C23 | C24 | H41 | 61.5° | 60.0° |
| H40 | C23 | C24 | H42 | 178.5° | 180.0° |
| H41 | C24 | C25 | H43 | 180.0° | 180.0° |
| H41 | C24 | C25 | H44 | 62.9° | 60.0° |
| H42 | C24 | C25 | H43 | 63.0° | 60.0° |
| H42 | C24 | C25 | H44 | 180.0° | 179.9° |
| H43 | C25 | C26 | H45 | 180.0° | 180.0° |
| H43 | C25 | C26 | H46 | 63.0° | 60.0° |
| H44 | C25 | C26 | H45 | 62.9° | 60.0° |
| H44 | C25 | C26 | H46 | 180.0° | 180.0° |
| H45 | C26 | C27 | H47 | 180.0° | 180.0° |
| H45 | C26 | C27 | H48 | 63.0° | 60.0° |
| H46 | C26 | C27 | H47 | 63.0° | 60.0° |
| H46 | C26 | C27 | H48 | 180.0° | 179.9° |
| H47 | C27 | C28 | H49 | 180.0° | 179.9° |
| H47 | C27 | C28 | H50 | 63.0° | 60.0° |
| H48 | C27 | C28 | H49 | 63.0° | 59.9° |
| H48 | C27 | C28 | H50 | NaN° | 180.0° |
| H49 | C28 | C29 | H51 | 180.0° | 180.0° |
| H49 | C28 | C29 | H52 | 63.0° | 60.0° |
| H50 | C28 | C29 | H51 | 63.0° | 60.1° |
| H50 | C28 | C29 | H52 | 180.0° | 180.0° |
| H51 | C29 | C30 | H53 | 58.5° | 180.0° |
| H51 | C29 | C30 | H54 | 178.5° | 60.1° |
| H51 | C29 | C30 | H55 | 61.5° | 60.0° |
| H52 | C29 | C30 | H53 | 58.5° | 60.0° |
| H52 | C29 | C30 | H54 | 61.5° | 180.0° |
| H52 | C29 | C30 | H55 | 178.5° | 60.0° |
| H53 | C30 | H54 | H55 | 120.0° | 120.1° |
| H56 | C31 | C32 | H58 | NaN° | 180.0° |
| H56 | C31 | C32 | H59 | 63.0° | 60.0° |
| H57 | C31 | C32 | H58 | 63.0° | 60.0° |
| H57 | C31 | C32 | H59 | 180.0° | 180.0° |
| H58 | C32 | C33 | H60 | 121.5° | 172.3° |
| H59 | C32 | C33 | H60 | 121.5° | 67.6° |
| H60 | C33 | C34 | H61 | 21.8° | 7.6° |
| H61 | C34 | C35 | H62 | 121.5° | 66.3° |
| H61 | C34 | C35 | H63 | 121.4° | 173.7° |
| H62 | C35 | C36 | H64 | 180.0° | 180.0° |
| H62 | C35 | C36 | H65 | 63.0° | 60.0° |
| H63 | C35 | C36 | H64 | 63.0° | 60.0° |
| H63 | C35 | C36 | H65 | 180.0° | 180.0° |
| H64 | C36 | C37 | H66 | 180.0° | 180.0° |
| H64 | C36 | C37 | H67 | 63.0° | 60.0° |
| H65 | C36 | C37 | H66 | 63.0° | 60.0° |
| H65 | C36 | C37 | H67 | 179.9° | 180.0° |
| H66 | C37 | C38 | H68 | NaN° | 180.0° |
| H66 | C37 | C38 | H69 | 63.0° | 60.0° |
| H67 | C37 | C38 | H68 | 63.0° | 60.0° |
| H67 | C37 | C38 | H69 | 180.0° | 180.0° |
| H68 | C38 | C39 | H70 | 180.0° | 179.9° |
| H68 | C38 | C39 | H71 | 62.9° | 60.0° |
| H69 | C38 | C39 | H70 | 63.0° | 60.0° |
| H69 | C38 | C39 | H71 | 179.9° | 180.0° |
| H70 | C39 | C40 | H72 | 180.0° | 180.0° |
| H70 | C39 | C40 | H73 | 63.0° | 59.9° |
| H71 | C39 | C40 | H72 | 63.0° | 60.0° |
| H71 | C39 | C40 | H73 | 180.0° | 180.0° |
| H72 | C40 | C41 | H74 | 180.0° | 179.9° |
| H72 | C40 | C41 | H75 | 63.0° | 60.0° |
| H73 | C40 | C41 | H74 | 63.0° | 60.0° |
| H73 | C40 | C41 | H75 | 180.0° | 180.0° |
| H74 | C41 | C42 | H76 | 58.5° | 180.0° |
| H74 | C41 | C42 | H77 | 178.5° | 60.0° |
| H74 | C41 | C42 | H78 | 61.5° | 60.0° |
| H75 | C41 | C42 | H76 | 58.5° | 60.0° |
| H75 | C41 | C42 | H77 | 61.5° | 180.0° |
| H75 | C41 | C42 | H78 | 178.5° | 60.0° |
| H76 | C42 | H77 | H78 | 120.0° | 119.9° |
