OFN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | P2 | doub | 1.48Å | 1.53Å | |
| O14 | P2 | sing | 1.61Å | 1.53Å | |
| O13 | P2 | sing | 1.61Å | 1.51Å | |
| P2 | O11 | sing | 1.61Å | 1.58Å | |
| O15 | C16 | sing | 1.43Å | 1.42Å | |
| O11 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | sing | 1.55Å | 1.53Å | |
| C15 | C14 | sing | 1.55Å | 1.53Å | |
| C16 | C17 | sing | 1.54Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | O16 | sing | 1.44Å | 1.45Å | |
| C17 | O16 | sing | 1.44Å | 1.42Å | |
| C17 | N2 | sing | 1.46Å | 1.46Å | |
| C13 | O10 | sing | 1.43Å | 1.43Å | |
| C22 | N2 | sing | 1.36Å | 1.37Å | Aromatic |
| C22 | N6 | doub | 1.30Å | 1.31Å | Aromatic |
| N2 | C18 | sing | 1.37Å | 1.37Å | Aromatic |
| O9 | P1 | doub | 1.48Å | 1.52Å | |
| O8 | P1 | sing | 1.61Å | 1.47Å | |
| O10 | P1 | sing | 1.61Å | 1.63Å | |
| N6 | C21 | sing | 1.35Å | 1.39Å | Aromatic |
| P1 | O7 | sing | 1.61Å | 1.59Å | |
| C18 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C18 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| N3 | C19 | sing | 1.32Å | 1.33Å | Aromatic |
| C21 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| O7 | P | sing | 1.61Å | 1.59Å | |
| C19 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C20 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C20 | N5 | sing | 1.38Å | 1.34Å | |
| O5 | P | doub | 1.48Å | 1.47Å | |
| P | O4 | sing | 1.61Å | 1.60Å | |
| P | O6 | sing | 1.61Å | 1.51Å | |
| O4 | C12 | sing | 1.43Å | 1.44Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C12 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | O3 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| N1 | C7 | sing | 1.35Å | 1.33Å | |
| N1 | C6 | sing | 1.46Å | 1.46Å | |
| C7 | O2 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| O1 | C4 | doub | 1.21Å | 1.23Å | |
| C4 | N | sing | 1.35Å | 1.34Å | |
| N | C3 | sing | 1.46Å | 1.46Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| O | C1 | doub | 1.21Å | 1.20Å | |
| C2 | S | sing | 1.81Å | 1.86Å | |
| C1 | S | sing | 1.71Å | 1.76Å | |
| C1 | C | sing | 1.51Å | 1.52Å | |
| C | C23 | sing | 1.51Å | 1.59Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | O17 | doub | 1.21Å | 1.22Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.51Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.50Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C38 | C39 | sing | 1.53Å | 1.50Å | |
| C39 | C40 | sing | 1.53Å | 1.50Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| O14 | H5 | sing | 0.97Å | 0.95Å | |
| O15 | H6 | sing | 0.97Å | 0.95Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å | |
| C | H42 | sing | 1.09Å | 1.10Å | |
| C | H43 | sing | 1.09Å | 1.10Å | |
| C2 | H44 | sing | 1.09Å | 1.10Å | |
| C2 | H45 | sing | 1.09Å | 1.10Å | |
| C3 | H46 | sing | 1.09Å | 1.10Å | |
| C3 | H47 | sing | 1.09Å | 1.10Å | |
| N | H48 | sing | 0.97Å | 1.00Å | |
| C5 | H49 | sing | 1.09Å | 1.10Å | |
| C5 | H50 | sing | 1.09Å | 1.10Å | |
| C6 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | H52 | sing | 1.09Å | 1.10Å | |
| N1 | H53 | sing | 0.97Å | 1.00Å | |
| C8 | H54 | sing | 1.09Å | 1.10Å | |
| O3 | H55 | sing | 0.97Å | 0.95Å | |
| C10 | H56 | sing | 1.09Å | 1.10Å | |
| C10 | H57 | sing | 1.09Å | 1.10Å | |
| C10 | H58 | sing | 1.09Å | 1.10Å | |
| C11 | H59 | sing | 1.09Å | 1.10Å | |
| C11 | H60 | sing | 1.09Å | 1.10Å | |
| C11 | H61 | sing | 1.09Å | 1.10Å | |
| C12 | H62 | sing | 1.09Å | 1.10Å | |
| C12 | H63 | sing | 1.09Å | 1.10Å | |
| O6 | H64 | sing | 0.97Å | 0.95Å | |
| O8 | H65 | sing | 0.97Å | 0.95Å | |
| C13 | H66 | sing | 1.09Å | 1.10Å | |
| C13 | H67 | sing | 1.09Å | 1.10Å | |
| C14 | H68 | sing | 1.09Å | 1.10Å | |
| C15 | H69 | sing | 1.09Å | 1.10Å | |
| O13 | H70 | sing | 0.97Å | 0.95Å | |
| N5 | H71 | sing | 0.97Å | 1.00Å | |
| N5 | H72 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | P2 | O14 | 115.1° | 109.5° |
| O12 | P2 | O13 | 113.5° | 109.4° |
| O12 | P2 | O11 | 108.4° | 109.5° |
| O14 | P2 | O13 | 110.7° | 109.5° |
| O14 | P2 | O11 | 103.6° | 109.5° |
| P2 | O14 | H5 | 109.5° | 114.0° |
| O13 | P2 | O11 | 104.4° | 109.5° |
| P2 | O13 | H70 | 109.5° | 114.0° |
| P2 | O11 | C15 | 123.3° | 123.0° |
| O15 | C16 | C15 | 113.0° | 110.6° |
| O15 | C16 | C17 | 111.9° | 110.5° |
| O15 | C16 | H1 | 111.8° | 110.5° |
| C16 | O15 | H6 | 109.5° | 114.0° |
| O11 | C15 | C16 | 108.7° | 110.5° |
| O11 | C15 | C14 | 109.9° | 110.5° |
| O11 | C15 | H69 | 112.5° | 110.6° |
| C16 | C15 | C14 | 103.1° | 104.0° |
| C15 | C16 | C17 | 98.9° | 104.1° |
| C15 | C16 | H1 | 110.2° | 110.5° |
| C16 | C15 | H69 | 111.1° | 110.5° |
| C15 | C14 | C13 | 114.6° | 110.4° |
| C15 | C14 | O16 | 105.1° | 104.8° |
| C15 | C14 | H68 | 108.4° | 110.4° |
| C14 | C15 | H69 | 111.1° | 110.5° |
| C16 | C17 | O16 | 105.2° | 104.8° |
| C16 | C17 | N2 | 115.1° | 110.4° |
| C17 | C16 | H1 | 110.3° | 110.5° |
| C16 | C17 | H2 | 108.4° | 110.4° |
| C13 | C14 | O16 | 110.5° | 110.4° |
| C14 | C13 | O10 | 109.3° | 109.5° |
| C14 | C13 | H66 | 109.5° | 109.5° |
| C14 | C13 | H67 | 109.5° | 109.5° |
| C13 | C14 | H68 | 108.7° | 110.4° |
| C14 | O16 | C17 | 109.2° | 105.3° |
| O16 | C14 | H68 | 109.4° | 110.3° |
| O16 | C17 | N2 | 108.9° | 110.4° |
| O16 | C17 | H2 | 109.8° | 110.3° |
| C17 | N2 | C22 | 128.0° | 126.3° |
| C17 | N2 | C18 | 126.3° | 126.3° |
| N2 | C17 | H2 | 109.2° | 110.4° |
| C13 | O10 | P1 | 116.9° | 123.0° |
| O10 | C13 | H66 | 109.5° | 109.4° |
| O10 | C13 | H67 | 109.5° | 109.5° |
| N2 | C22 | N6 | 114.1° | 110.0° |
| C22 | N2 | C18 | 105.7° | 107.4° |
| N2 | C22 | H4 | 123.0° | 125.0° |
| C22 | N6 | C21 | 103.7° | 109.5° |
| N6 | C22 | H4 | 122.9° | 125.0° |
| N2 | C18 | N3 | 127.4° | 134.9° |
| N2 | C18 | C21 | 105.9° | 106.0° |
| O9 | P1 | O8 | 117.6° | 109.5° |
| O9 | P1 | O10 | 107.1° | 109.5° |
| O9 | P1 | O7 | 108.5° | 109.4° |
| O8 | P1 | O10 | 110.5° | 109.5° |
| O8 | P1 | O7 | 111.1° | 109.5° |
| P1 | O8 | H65 | 109.5° | 114.0° |
| O10 | P1 | O7 | 100.7° | 109.4° |
| N6 | C21 | C18 | 110.7° | 107.1° |
| N6 | C21 | C20 | 132.5° | 134.7° |
| P1 | O7 | P | 135.2° | 134.0° |
| N3 | C18 | C21 | 126.7° | 119.1° |
| C18 | N3 | C19 | 111.0° | 120.6° |
| C18 | C21 | C20 | 116.8° | 118.1° |
| N3 | C19 | N4 | 129.0° | 122.5° |
| N3 | C19 | H3 | 115.5° | 118.8° |
| C21 | C20 | N4 | 117.6° | 118.5° |
| C21 | C20 | N5 | 124.2° | 120.8° |
| O7 | P | O5 | 109.3° | 109.5° |
| O7 | P | O4 | 105.1° | 109.5° |
| O7 | P | O6 | 105.9° | 109.5° |
| C19 | N4 | C20 | 118.8° | 121.2° |
| N4 | C19 | H3 | 115.5° | 118.8° |
| N4 | C20 | N5 | 118.1° | 120.8° |
| C20 | N5 | H71 | 109.5° | 120.0° |
| C20 | N5 | H72 | 109.5° | 120.0° |
| O5 | P | O4 | 114.4° | 109.5° |
| O5 | P | O6 | 113.8° | 109.5° |
| O4 | P | O6 | 107.7° | 109.5° |
| P | O4 | C12 | 127.7° | 123.0° |
| P | O6 | H64 | 109.5° | 114.0° |
| O4 | C12 | C9 | 110.2° | 109.5° |
| O4 | C12 | H62 | 109.3° | 109.5° |
| O4 | C12 | H63 | 109.3° | 109.5° |
| C10 | C9 | C12 | 108.8° | 109.5° |
| C10 | C9 | C11 | 108.9° | 109.4° |
| C10 | C9 | C8 | 110.1° | 109.5° |
| C9 | C10 | H56 | 109.5° | 109.5° |
| C9 | C10 | H57 | 109.5° | 109.5° |
| C9 | C10 | H58 | 109.5° | 109.5° |
| C12 | C9 | C11 | 108.5° | 109.4° |
| C12 | C9 | C8 | 109.9° | 109.5° |
| C9 | C12 | H62 | 109.3° | 109.4° |
| C9 | C12 | H63 | 109.3° | 109.4° |
| C11 | C9 | C8 | 110.7° | 109.5° |
| C9 | C11 | H59 | 109.5° | 109.5° |
| C9 | C11 | H60 | 109.5° | 109.5° |
| C9 | C11 | H61 | 109.4° | 109.5° |
| C9 | C8 | O3 | 114.3° | 109.5° |
| C9 | C8 | C7 | 114.3° | 109.5° |
| C9 | C8 | H54 | 105.4° | 109.4° |
| O3 | C8 | C7 | 109.6° | 109.5° |
| O3 | C8 | H54 | 106.9° | 109.5° |
| C8 | O3 | H55 | 109.5° | 114.0° |
| C8 | C7 | N1 | 116.8° | 120.0° |
| C8 | C7 | O2 | 121.0° | 120.0° |
| C7 | C8 | H54 | 105.7° | 109.5° |
| C7 | N1 | C6 | 122.2° | 120.0° |
| N1 | C7 | O2 | 122.2° | 120.1° |
| C7 | N1 | H53 | 118.9° | 120.1° |
| N1 | C6 | C5 | 111.3° | 109.5° |
| N1 | C6 | H51 | 109.0° | 109.5° |
| N1 | C6 | H52 | 109.0° | 109.5° |
| C6 | N1 | H53 | 118.9° | 120.0° |
| C6 | C5 | C4 | 114.5° | 109.5° |
| C6 | C5 | H49 | 108.2° | 109.4° |
| C6 | C5 | H50 | 108.2° | 109.5° |
| C5 | C6 | H51 | 109.0° | 109.4° |
| C5 | C6 | H52 | 109.0° | 109.5° |
| C5 | C4 | O1 | 119.6° | 120.0° |
| C5 | C4 | N | 117.6° | 120.0° |
| C4 | C5 | H49 | 108.2° | 109.5° |
| C4 | C5 | H50 | 108.2° | 109.4° |
| O1 | C4 | N | 122.7° | 120.0° |
| C4 | N | C3 | 123.9° | 120.0° |
| C4 | N | H48 | 118.0° | 120.0° |
| N | C3 | C2 | 115.3° | 109.5° |
| N | C3 | H46 | 108.0° | 109.5° |
| N | C3 | H47 | 108.0° | 109.5° |
| C3 | N | H48 | 118.1° | 120.0° |
| C3 | C2 | S | 117.2° | 109.4° |
| C3 | C2 | H44 | 107.5° | 109.5° |
| C3 | C2 | H45 | 107.5° | 109.5° |
| C2 | C3 | H46 | 108.0° | 109.5° |
| C2 | C3 | H47 | 108.0° | 109.5° |
| O | C1 | S | 122.1° | 120.0° |
| O | C1 | C | 121.6° | 120.0° |
| C2 | S | C1 | 103.1° | 100.0° |
| S | C2 | H44 | 107.5° | 109.5° |
| S | C2 | H45 | 107.5° | 109.5° |
| S | C1 | C | 115.6° | 120.0° |
| C1 | C | C23 | 124.3° | 109.5° |
| C1 | C | H42 | 105.7° | 109.5° |
| C1 | C | H43 | 105.7° | 109.5° |
| C | C23 | C24 | 120.6° | 120.0° |
| C | C23 | O17 | 119.4° | 120.0° |
| C23 | C | H42 | 105.6° | 109.4° |
| C23 | C | H43 | 105.6° | 109.5° |
| C24 | C23 | O17 | 119.9° | 120.0° |
| C23 | C24 | C25 | 118.4° | 109.5° |
| C23 | C24 | H7 | 107.2° | 109.5° |
| C23 | C24 | H8 | 107.2° | 109.5° |
| C24 | C25 | C26 | 113.5° | 109.4° |
| C25 | C24 | H7 | 107.2° | 109.5° |
| C25 | C24 | H8 | 107.2° | 109.4° |
| C24 | C25 | H9 | 108.5° | 109.5° |
| C24 | C25 | H10 | 108.5° | 109.5° |
| C25 | C26 | C27 | 113.7° | 109.4° |
| C26 | C25 | H9 | 108.5° | 109.5° |
| C26 | C25 | H10 | 108.5° | 109.5° |
| C25 | C26 | H11 | 108.4° | 109.5° |
| C25 | C26 | H12 | 108.4° | 109.5° |
| C26 | C27 | C28 | 114.4° | 109.5° |
| C27 | C26 | H11 | 108.4° | 109.5° |
| C27 | C26 | H12 | 108.4° | 109.4° |
| C26 | C27 | H13 | 108.2° | 109.5° |
| C26 | C27 | H14 | 108.2° | 109.5° |
| C27 | C28 | C29 | 115.7° | 109.5° |
| C28 | C27 | H13 | 108.2° | 109.5° |
| C28 | C27 | H14 | 108.2° | 109.4° |
| C27 | C28 | H15 | 107.9° | 109.5° |
| C27 | C28 | H16 | 107.9° | 109.5° |
| C28 | C29 | C30 | 116.7° | 109.5° |
| C29 | C28 | H15 | 107.9° | 109.5° |
| C29 | C28 | H16 | 107.9° | 109.4° |
| C28 | C29 | H17 | 107.6° | 109.5° |
| C28 | C29 | H18 | 107.7° | 109.4° |
| C29 | C30 | C31 | 115.2° | 109.5° |
| C30 | C29 | H17 | 107.6° | 109.5° |
| C30 | C29 | H18 | 107.6° | 109.5° |
| C29 | C30 | H19 | 108.0° | 109.5° |
| C29 | C30 | H20 | 108.0° | 109.5° |
| C30 | C31 | C32 | 113.0° | 109.5° |
| C31 | C30 | H19 | 108.0° | 109.5° |
| C31 | C30 | H20 | 108.0° | 109.5° |
| C30 | C31 | H21 | 108.6° | 109.4° |
| C30 | C31 | H22 | 108.6° | 109.4° |
| C31 | C32 | C33 | 116.2° | 109.4° |
| C32 | C31 | H21 | 108.6° | 109.5° |
| C32 | C31 | H22 | 108.6° | 109.5° |
| C31 | C32 | H23 | 107.7° | 109.5° |
| C31 | C32 | H24 | 107.8° | 109.4° |
| C32 | C33 | C34 | 111.7° | 109.4° |
| C33 | C32 | H23 | 107.7° | 109.5° |
| C33 | C32 | H24 | 107.7° | 109.5° |
| C32 | C33 | H25 | 108.9° | 109.5° |
| C32 | C33 | H26 | 108.9° | 109.5° |
| C33 | C34 | C35 | 115.3° | 109.5° |
| C34 | C33 | H25 | 108.9° | 109.4° |
| C34 | C33 | H26 | 108.9° | 109.5° |
| C33 | C34 | H27 | 108.0° | 109.5° |
| C33 | C34 | H28 | 108.0° | 109.5° |
| C34 | C35 | C36 | 113.8° | 109.5° |
| C35 | C34 | H27 | 108.0° | 109.4° |
| C35 | C34 | H28 | 108.0° | 109.5° |
| C34 | C35 | H29 | 108.4° | 109.4° |
| C34 | C35 | H30 | 108.4° | 109.5° |
| C35 | C36 | C37 | 113.5° | 109.5° |
| C36 | C35 | H29 | 108.4° | 109.4° |
| C36 | C35 | H30 | 108.4° | 109.5° |
| C35 | C36 | H31 | 108.5° | 109.4° |
| C35 | C36 | H32 | 108.5° | 109.5° |
| C36 | C37 | C38 | 113.1° | 109.5° |
| C37 | C36 | H31 | 108.4° | 109.5° |
| C37 | C36 | H32 | 108.5° | 109.5° |
| C36 | C37 | H33 | 108.6° | 109.5° |
| C36 | C37 | H34 | 108.6° | 109.5° |
| C37 | C38 | C39 | 114.3° | 109.5° |
| C38 | C37 | H33 | 108.6° | 109.5° |
| C38 | C37 | H34 | 108.5° | 109.5° |
| C37 | C38 | H35 | 108.2° | 109.4° |
| C37 | C38 | H36 | 108.2° | 109.4° |
| C38 | C39 | C40 | 112.4° | 109.4° |
| C39 | C38 | H35 | 108.3° | 109.5° |
| C39 | C38 | H36 | 108.2° | 109.5° |
| C38 | C39 | H37 | 108.7° | 109.5° |
| C38 | C39 | H38 | 108.7° | 109.5° |
| C40 | C39 | H37 | 108.8° | 109.5° |
| C40 | C39 | H38 | 108.7° | 109.4° |
| C39 | C40 | H39 | 109.5° | 109.5° |
| C39 | C40 | H40 | 109.4° | 109.4° |
| C39 | C40 | H41 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.6° |
| H9 | C25 | H10 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.5° |
| H13 | C27 | H14 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.4° | 109.5° |
| H17 | C29 | H18 | 109.5° | 109.5° |
| H19 | C30 | H20 | 109.5° | 109.4° |
| H21 | C31 | H22 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.5° | 109.5° |
| H25 | C33 | H26 | 109.5° | 109.5° |
| H27 | C34 | H28 | 109.5° | 109.4° |
| H29 | C35 | H30 | 109.5° | 109.4° |
| H31 | C36 | H32 | 109.4° | 109.4° |
| H33 | C37 | H34 | 109.5° | 109.4° |
| H35 | C38 | H36 | 109.5° | 109.5° |
| H37 | C39 | H38 | 109.5° | 109.5° |
| H39 | C40 | H40 | 109.5° | 109.5° |
| H39 | C40 | H41 | 109.5° | 109.5° |
| H40 | C40 | H41 | 109.5° | 109.4° |
| H42 | C | H43 | 109.5° | 109.4° |
| H44 | C2 | H45 | 109.5° | 109.5° |
| H46 | C3 | H47 | 109.5° | 109.5° |
| H49 | C5 | H50 | 109.4° | 109.5° |
| H51 | C6 | H52 | 109.5° | 109.4° |
| H56 | C10 | H57 | 109.5° | 109.4° |
| H56 | C10 | H58 | 109.5° | 109.5° |
| H57 | C10 | H58 | 109.5° | 109.4° |
| H59 | C11 | H60 | 109.5° | 109.4° |
| H59 | C11 | H61 | 109.5° | 109.4° |
| H60 | C11 | H61 | 109.5° | 109.5° |
| H62 | C12 | H63 | 109.5° | 109.5° |
| H66 | C13 | H67 | 109.5° | 109.4° |
| H71 | N5 | H72 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | P2 | O14 | O13 | 130.4° | 120.0° |
| O12 | P2 | O14 | O11 | 118.2° | 120.0° |
| O12 | P2 | O13 | O11 | 117.9° | 120.0° |
| O12 | P2 | O11 | C15 | 64.2° | 55.0° |
| O12 | P2 | O14 | H5 | 0.0° | 180.0° |
| O12 | P2 | O13 | H70 | 0.0° | 60.1° |
| O14 | P2 | O13 | O11 | 110.9° | 120.0° |
| O14 | P2 | O11 | C15 | 58.5° | 65.0° |
| O14 | P2 | O13 | H70 | 131.2° | 59.9° |
| O13 | P2 | O11 | C15 | 174.5° | 174.9° |
| O13 | P2 | O14 | H5 | 130.4° | 60.0° |
| P2 | O11 | C15 | C16 | 105.7° | 121.5° |
| P2 | O11 | C15 | C14 | 142.2° | 123.9° |
| O11 | P2 | O14 | H5 | 118.1° | 60.0° |
| P2 | O11 | C15 | H69 | 17.8° | 1.2° |
| O11 | P2 | O13 | H70 | 117.8° | 179.9° |
| O15 | C16 | C15 | O11 | 40.9° | 0.0° |
| O15 | C16 | C15 | C17 | 118.4° | 118.7° |
| O15 | C16 | C15 | H1 | 125.9° | 122.7° |
| O15 | C16 | C15 | C14 | 157.5° | 118.7° |
| O15 | C16 | C17 | H1 | 125.2° | 122.6° |
| O15 | C16 | C17 | O16 | 160.6° | 142.7° |
| O15 | C16 | C17 | N2 | 79.5° | 98.4° |
| O15 | C16 | C17 | H2 | 43.1° | 23.9° |
| O15 | C16 | C15 | H69 | 83.4° | 122.7° |
| O11 | C15 | C16 | C14 | 116.6° | 118.6° |
| O11 | C15 | C16 | H69 | 124.3° | 122.7° |
| O11 | C15 | C14 | H69 | 125.1° | 122.8° |
| O11 | C15 | C16 | C17 | 77.5° | 118.6° |
| O11 | C15 | C14 | C13 | 147.1° | 98.6° |
| O11 | C15 | C14 | O16 | 91.4° | 142.6° |
| O11 | C15 | C16 | H1 | 166.8° | 122.7° |
| O11 | C15 | C14 | H68 | 25.6° | 23.8° |
| C16 | C15 | C14 | H69 | 119.1° | 118.6° |
| C15 | C16 | C17 | H1 | 115.6° | 118.7° |
| C16 | C15 | C14 | C13 | 97.1° | 142.8° |
| C16 | C15 | C14 | O16 | 24.4° | 24.0° |
| C15 | C16 | C17 | O16 | 41.3° | 24.0° |
| C15 | C16 | C17 | N2 | 161.2° | 142.8° |
| C15 | C16 | C17 | H2 | 76.1° | 94.8° |
| C15 | C16 | O15 | H6 | 7.7° | 176.2° |
| C16 | C15 | C14 | H68 | 141.4° | 94.9° |
| C14 | C15 | C16 | C17 | 39.0° | 0.0° |
| C15 | C14 | C13 | O16 | 118.6° | 115.4° |
| C15 | C14 | C13 | H68 | 121.4° | 122.4° |
| C15 | C14 | O16 | H68 | 116.2° | 118.9° |
| C15 | C14 | O16 | C17 | 1.8° | 40.5° |
| C15 | C14 | C13 | O10 | 179.1° | 178.2° |
| C14 | C15 | C16 | H1 | 76.6° | 118.7° |
| C15 | C14 | C13 | H66 | 59.1° | 61.9° |
| C15 | C14 | C13 | H67 | 61.0° | 58.1° |
| C16 | C17 | O16 | C14 | 27.7° | 40.5° |
| C16 | C17 | O16 | N2 | 124.0° | 118.8° |
| C16 | C17 | O16 | H2 | 116.5° | 118.9° |
| C16 | C17 | N2 | H2 | 122.2° | 122.3° |
| C16 | C17 | N2 | C22 | 17.8° | 95.0° |
| C16 | C17 | N2 | C18 | 165.4° | 85.0° |
| C17 | C16 | O15 | H6 | 118.3° | 61.5° |
| C17 | C16 | C15 | H69 | 158.1° | 118.7° |
| C13 | C14 | O16 | H68 | 119.6° | 122.3° |
| C13 | C14 | O16 | C17 | 126.0° | 159.3° |
| C14 | C13 | O10 | H66 | 120.0° | 120.0° |
| C14 | C13 | O10 | H67 | 120.0° | 120.1° |
| C14 | C13 | O10 | P1 | 109.4° | 180.0° |
| C14 | C13 | H66 | H67 | 120.1° | 120.0° |
| C13 | C14 | C15 | H69 | 22.0° | 24.2° |
| C14 | O16 | C17 | N2 | 151.7° | 159.3° |
| O16 | C14 | C13 | O10 | 62.4° | 66.4° |
| C14 | O16 | C17 | H2 | 88.7° | 78.3° |
| O16 | C14 | C13 | H66 | 177.7° | 53.5° |
| O16 | C14 | C13 | H67 | 57.6° | 173.5° |
| O16 | C14 | C15 | H69 | 143.5° | 94.6° |
| O16 | C17 | N2 | H2 | 120.0° | 122.3° |
| O16 | C17 | N2 | C22 | 100.1° | 20.4° |
| O16 | C17 | N2 | C18 | 76.7° | 159.6° |
| O16 | C17 | C16 | H1 | 74.3° | 94.7° |
| C17 | O16 | C14 | H68 | 114.4° | 78.4° |
| C17 | N2 | C22 | C18 | 177.3° | 180.0° |
| C17 | N2 | C22 | N6 | 175.7° | 179.8° |
| C17 | N2 | C18 | N3 | 6.7° | 0.0° |
| C17 | N2 | C18 | C21 | 175.4° | 179.7° |
| N2 | C17 | C16 | H1 | 45.7° | 24.2° |
| C17 | N2 | C22 | H4 | 4.3° | 0.0° |
| C13 | O10 | P1 | O9 | 60.3° | 55.0° |
| C13 | O10 | P1 | O8 | 68.9° | 65.0° |
| C13 | O10 | P1 | O7 | 173.6° | 174.9° |
| O10 | C13 | H66 | H67 | 120.1° | 120.0° |
| O10 | C13 | C14 | H68 | 57.7° | 55.8° |
| N2 | C22 | N6 | H4 | 180.0° | 179.8° |
| N2 | C22 | N6 | C21 | 0.5° | 0.1° |
| C22 | N2 | C18 | N3 | 175.9° | 180.0° |
| C22 | N2 | C18 | C21 | 2.0° | 0.2° |
| C22 | N2 | C17 | H2 | 139.9° | 142.6° |
| N6 | C22 | N2 | C18 | 1.6° | 0.2° |
| C22 | N6 | C21 | C18 | 0.8° | 0.1° |
| C22 | N6 | C21 | C20 | 179.6° | 179.9° |
| N2 | C18 | C21 | N6 | 1.8° | 0.2° |
| N2 | C18 | N3 | C21 | 177.4° | 179.7° |
| N2 | C18 | N3 | C19 | 177.7° | 179.7° |
| N2 | C18 | C21 | C20 | 179.2° | 179.8° |
| C18 | N2 | C17 | H2 | 43.2° | 37.3° |
| C18 | N2 | C22 | H4 | 178.4° | 180.0° |
| O9 | P1 | O8 | O10 | 123.3° | 120.0° |
| O9 | P1 | O8 | O7 | 125.8° | 120.0° |
| O9 | P1 | O10 | O7 | 113.3° | 119.9° |
| O9 | P1 | O7 | P | 81.8° | 45.1° |
| O9 | P1 | O8 | H65 | 0.0° | 180.0° |
| O8 | P1 | O10 | O7 | 117.5° | 120.0° |
| O8 | P1 | O7 | P | 48.9° | 74.9° |
| O10 | P1 | O7 | P | 165.9° | 165.0° |
| O10 | P1 | O8 | H65 | 123.3° | 60.0° |
| P1 | O10 | C13 | H66 | 10.6° | 60.0° |
| P1 | O10 | C13 | H67 | 130.6° | 59.9° |
| N6 | C21 | C18 | N3 | 176.1° | 180.0° |
| N6 | C21 | C18 | C20 | 179.0° | 180.0° |
| N6 | C21 | C20 | N4 | 175.5° | 179.9° |
| N6 | C21 | C20 | N5 | 8.6° | 0.0° |
| C21 | N6 | C22 | H4 | 179.5° | 179.9° |
| P1 | O7 | P | O5 | 24.8° | 45.0° |
| P1 | O7 | P | O4 | 98.5° | 165.0° |
| P1 | O7 | P | O6 | 147.8° | 75.1° |
| O7 | P1 | O8 | H65 | 125.8° | 60.0° |
| N3 | C18 | C21 | C20 | 2.9° | 0.0° |
| C18 | N3 | C19 | N4 | 2.4° | 0.0° |
| C18 | N3 | C19 | H3 | 177.6° | 179.9° |
| C21 | C18 | N3 | C19 | 0.2° | 0.0° |
| C18 | C21 | C20 | N4 | 3.3° | 0.0° |
| C18 | C21 | C20 | N5 | 172.7° | 180.0° |
| N3 | C19 | N4 | H3 | 180.0° | 179.9° |
| N3 | C19 | N4 | C20 | 2.0° | 0.0° |
| C21 | C20 | N4 | C19 | 1.2° | 0.1° |
| C21 | C20 | N4 | N5 | 176.2° | 180.0° |
| C21 | C20 | N5 | H71 | 175.9° | 179.9° |
| C21 | C20 | N5 | H72 | 55.9° | 0.0° |
| O7 | P | O5 | O4 | 117.5° | 120.0° |
| O7 | P | O5 | O6 | 118.1° | 120.0° |
| O7 | P | O4 | O6 | 112.5° | 120.0° |
| O7 | P | O4 | C12 | 52.5° | 175.0° |
| O7 | P | O6 | H64 | 120.1° | 60.0° |
| C19 | N4 | C20 | N5 | 175.1° | 180.0° |
| C20 | N4 | C19 | H3 | 178.0° | 180.0° |
| N4 | C20 | N5 | H71 | 0.0° | 0.0° |
| N4 | C20 | N5 | H72 | 120.0° | 180.0° |
| C20 | N5 | H71 | H72 | 120.0° | 180.0° |
| O5 | P | O4 | O6 | 127.6° | 120.0° |
| O5 | P | O4 | C12 | 172.4° | 55.0° |
| O5 | P | O6 | H64 | 0.0° | 180.0° |
| P | O4 | C12 | C9 | 170.1° | 180.0° |
| P | O4 | C12 | H62 | 69.8° | 60.0° |
| P | O4 | C12 | H63 | 50.0° | 60.1° |
| O4 | P | O6 | H64 | 127.9° | 60.0° |
| O6 | P | O4 | C12 | 60.0° | 65.0° |
| O4 | C12 | C9 | C10 | 60.2° | 59.9° |
| O4 | C12 | C9 | H62 | 120.1° | 120.1° |
| O4 | C12 | C9 | H63 | 120.1° | 120.0° |
| O4 | C12 | C9 | C11 | 178.5° | 60.0° |
| O4 | C12 | C9 | C8 | 60.4° | 180.0° |
| O4 | C12 | H62 | H63 | 119.7° | 120.1° |
| C10 | C9 | C12 | C11 | 118.3° | 119.9° |
| C10 | C9 | C12 | C8 | 120.6° | 120.0° |
| C10 | C9 | C11 | C8 | 121.2° | 120.0° |
| C10 | C9 | C8 | O3 | 54.8° | 174.0° |
| C10 | C9 | C8 | C7 | 177.8° | 65.9° |
| C10 | C9 | C8 | H54 | 62.2° | 54.0° |
| C9 | C10 | H56 | H57 | 120.0° | 120.0° |
| C9 | C10 | H56 | H58 | 120.0° | 120.1° |
| C9 | C10 | H57 | H58 | 120.0° | 120.0° |
| C10 | C9 | C11 | H59 | 180.0° | 180.0° |
| C10 | C9 | C11 | H60 | 60.0° | 60.0° |
| C10 | C9 | C11 | H61 | 60.0° | 60.1° |
| C10 | C9 | C12 | H62 | 59.9° | 180.0° |
| C10 | C9 | C12 | H63 | 179.7° | 60.1° |
| C12 | C9 | C11 | C8 | 120.6° | 120.0° |
| C12 | C9 | C8 | O3 | 174.6° | 54.0° |
| C12 | C9 | C8 | C7 | 58.0° | 174.0° |
| C12 | C9 | C8 | H54 | 57.6° | 66.0° |
| C12 | C9 | C10 | H56 | 180.0° | 55.5° |
| C12 | C9 | C10 | H57 | 60.0° | 64.4° |
| C12 | C9 | C10 | H58 | 60.0° | 175.6° |
| C12 | C9 | C11 | H59 | 61.8° | 60.0° |
| C12 | C9 | C11 | H60 | 178.2° | 60.0° |
| C12 | C9 | C11 | H61 | 58.2° | 180.0° |
| C9 | C12 | H62 | H63 | 119.7° | 119.9° |
| C11 | C9 | C8 | O3 | 65.6° | 66.0° |
| C11 | C9 | C8 | C7 | 61.8° | 54.0° |
| C11 | C9 | C8 | H54 | 177.3° | 174.0° |
| C11 | C9 | C10 | H56 | 61.9° | 64.4° |
| C11 | C9 | C10 | H57 | 178.1° | 175.6° |
| C11 | C9 | C10 | H58 | 58.0° | 55.7° |
| C9 | C11 | H59 | H60 | 120.0° | 120.1° |
| C9 | C11 | H59 | H61 | 120.0° | 120.0° |
| C9 | C11 | H60 | H61 | 120.0° | 120.1° |
| C11 | C9 | C12 | H62 | 58.4° | 60.1° |
| C11 | C9 | C12 | H63 | 61.4° | 180.0° |
| C9 | C8 | O3 | C7 | 129.8° | 120.0° |
| C9 | C8 | O3 | H54 | 116.2° | 120.0° |
| C9 | C8 | C7 | H54 | 115.4° | 119.9° |
| C9 | C8 | C7 | N1 | 107.5° | 108.2° |
| C9 | C8 | C7 | O2 | 74.9° | 71.8° |
| C9 | C8 | O3 | H55 | 108.7° | 60.0° |
| C8 | C9 | C10 | H56 | 59.6° | 175.6° |
| C8 | C9 | C10 | H57 | 60.4° | 55.6° |
| C8 | C9 | C10 | H58 | 179.6° | 64.3° |
| C8 | C9 | C11 | H59 | 58.8° | 60.0° |
| C8 | C9 | C11 | H60 | 61.2° | 180.0° |
| C8 | C9 | C11 | H61 | 178.8° | 59.9° |
| C8 | C9 | C12 | H62 | 179.4° | 60.0° |
| C8 | C9 | C12 | H63 | 59.7° | 60.0° |
| O3 | C8 | C7 | H54 | 114.9° | 120.1° |
| O3 | C8 | C7 | N1 | 122.8° | 11.7° |
| O3 | C8 | C7 | O2 | 54.9° | 168.2° |
| C8 | C7 | N1 | O2 | 177.7° | 180.0° |
| C8 | C7 | N1 | C6 | 172.8° | 174.9° |
| C8 | C7 | N1 | H53 | 7.1° | 5.2° |
| C7 | C8 | O3 | H55 | 21.1° | 60.0° |
| C7 | N1 | C6 | H53 | 180.0° | 180.0° |
| C7 | N1 | C6 | C5 | 104.2° | 180.0° |
| C7 | N1 | C6 | H51 | 135.5° | 60.0° |
| C7 | N1 | C6 | H52 | 16.0° | 60.0° |
| N1 | C7 | C8 | H54 | 7.9° | 131.8° |
| C6 | N1 | C7 | O2 | 4.8° | 5.1° |
| N1 | C6 | C5 | H51 | 120.3° | 120.0° |
| N1 | C6 | C5 | H52 | 120.3° | 120.1° |
| N1 | C6 | C5 | C4 | 101.2° | 180.0° |
| N1 | C6 | C5 | H49 | 19.5° | 60.0° |
| N1 | C6 | C5 | H50 | 138.0° | 60.0° |
| N1 | C6 | H51 | H52 | 119.2° | 120.0° |
| O2 | C7 | N1 | H53 | 175.2° | 174.8° |
| O2 | C7 | C8 | H54 | 169.8° | 48.2° |
| C6 | C5 | C4 | H49 | 120.8° | 120.0° |
| C6 | C5 | C4 | H50 | 120.8° | 120.0° |
| C6 | C5 | C4 | O1 | 168.5° | 0.0° |
| C6 | C5 | C4 | N | 9.8° | 180.0° |
| C6 | C5 | H49 | H50 | 117.7° | 120.0° |
| C5 | C6 | H51 | H52 | 119.2° | 119.9° |
| C5 | C6 | N1 | H53 | 75.8° | 0.0° |
| C5 | C4 | O1 | N | 178.2° | 180.0° |
| C5 | C4 | N | C3 | 174.3° | 180.0° |
| C5 | C4 | N | H48 | 5.7° | 0.0° |
| C4 | C5 | H49 | H50 | 117.6° | 120.0° |
| C4 | C5 | C6 | H51 | 138.5° | 60.0° |
| C4 | C5 | C6 | H52 | 19.0° | 59.9° |
| O1 | C4 | N | C3 | 4.0° | 0.0° |
| O1 | C4 | N | H48 | 176.0° | 180.0° |
| O1 | C4 | C5 | H49 | 70.8° | 120.0° |
| O1 | C4 | C5 | H50 | 47.7° | 120.0° |
| C4 | N | C3 | H48 | 180.0° | 180.0° |
| C4 | N | C3 | C2 | 115.3° | 180.0° |
| C4 | N | C3 | H46 | 123.9° | 60.0° |
| C4 | N | C3 | H47 | 5.6° | 60.0° |
| N | C4 | C5 | H49 | 110.9° | 60.0° |
| N | C4 | C5 | H50 | 130.6° | 60.0° |
| N | C3 | C2 | H46 | 120.9° | 120.0° |
| N | C3 | C2 | H47 | 120.8° | 120.0° |
| N | C3 | C2 | S | 120.2° | 180.0° |
| N | C3 | C2 | H44 | 118.7° | 60.0° |
| N | C3 | C2 | H45 | 0.9° | 60.0° |
| N | C3 | H46 | H47 | 117.3° | 120.0° |
| C3 | C2 | S | H44 | 121.1° | 120.0° |
| C3 | C2 | S | H45 | 121.1° | 120.0° |
| C3 | C2 | S | C1 | 56.7° | 180.0° |
| C3 | C2 | H44 | H45 | 116.5° | 120.0° |
| C2 | C3 | H46 | H47 | 117.3° | 120.0° |
| C2 | C3 | N | H48 | 64.7° | 0.0° |
| O | C1 | S | C2 | 28.9° | 0.0° |
| O | C1 | S | C | 170.5° | 180.0° |
| O | C1 | C | C23 | 162.8° | 0.0° |
| O | C1 | C | H42 | 75.2° | 120.0° |
| O | C1 | C | H43 | 40.8° | 120.0° |
| C2 | S | C1 | C | 141.6° | 180.0° |
| S | C2 | H44 | H45 | 116.5° | 120.0° |
| S | C2 | C3 | H46 | 0.7° | 60.0° |
| S | C2 | C3 | H47 | 118.9° | 60.0° |
| S | C1 | C | C23 | 7.8° | 180.0° |
| S | C1 | C | H42 | 114.2° | 60.0° |
| S | C1 | C | H43 | 129.8° | 60.0° |
| C1 | S | C2 | H44 | 64.4° | 60.0° |
| C1 | S | C2 | H45 | 177.8° | 60.0° |
| C1 | C | C23 | H42 | 122.0° | 120.0° |
| C1 | C | C23 | H43 | 122.0° | 120.0° |
| C1 | C | C23 | C24 | 20.4° | 180.0° |
| C1 | C | C23 | O17 | 156.4° | 0.0° |
| C1 | C | H42 | H43 | 113.4° | 120.0° |
| C | C23 | C24 | O17 | 176.8° | 180.0° |
| C | C23 | C24 | C25 | 128.3° | 180.0° |
| C | C23 | C24 | H7 | 7.0° | 60.0° |
| C | C23 | C24 | H8 | 110.4° | 60.1° |
| C23 | C | H42 | H43 | 113.3° | 120.0° |
| C23 | C24 | C25 | H7 | 121.3° | 120.0° |
| C23 | C24 | C25 | H8 | 121.3° | 120.0° |
| C23 | C24 | C25 | C26 | 76.3° | 180.0° |
| C23 | C24 | H7 | H8 | 115.9° | 120.0° |
| C23 | C24 | C25 | H9 | 44.3° | 60.0° |
| C23 | C24 | C25 | H10 | 163.1° | 60.0° |
| C24 | C23 | C | H42 | 101.6° | 60.0° |
| C24 | C23 | C | H43 | 142.5° | 60.0° |
| O17 | C23 | C24 | C25 | 48.5° | 0.0° |
| O17 | C23 | C24 | H7 | 169.8° | 119.9° |
| O17 | C23 | C24 | H8 | 72.7° | 120.0° |
| O17 | C23 | C | H42 | 81.5° | 120.0° |
| O17 | C23 | C | H43 | 34.4° | 120.0° |
| C24 | C25 | C26 | H9 | 120.6° | 120.0° |
| C24 | C25 | C26 | H10 | 120.6° | 120.0° |
| C24 | C25 | C26 | C27 | 116.7° | 180.0° |
| C25 | C24 | H7 | H8 | 116.0° | 120.0° |
| C24 | C25 | H9 | H10 | 118.2° | 120.0° |
| C24 | C25 | C26 | H11 | 3.9° | 60.0° |
| C24 | C25 | C26 | H12 | 122.7° | 60.1° |
| C25 | C26 | C27 | H11 | 120.6° | 120.1° |
| C25 | C26 | C27 | H12 | 120.6° | 119.9° |
| C25 | C26 | C27 | C28 | 177.8° | 180.0° |
| C26 | C25 | C24 | H7 | 162.4° | 60.0° |
| C26 | C25 | C24 | H8 | 44.9° | 60.1° |
| C26 | C25 | H9 | H10 | 118.2° | 120.0° |
| C25 | C26 | H11 | H12 | 118.1° | 120.0° |
| C25 | C26 | C27 | H13 | 61.5° | 60.0° |
| C25 | C26 | C27 | H14 | 57.1° | 60.1° |
| C26 | C27 | C28 | H13 | 120.7° | 120.0° |
| C26 | C27 | C28 | H14 | 120.7° | 120.0° |
| C26 | C27 | C28 | C29 | 168.5° | 180.0° |
| C27 | C26 | C25 | H9 | 122.7° | 60.0° |
| C27 | C26 | C25 | H10 | 3.9° | 60.0° |
| C27 | C26 | H11 | H12 | 118.1° | 120.0° |
| C26 | C27 | H13 | H14 | 117.8° | 120.1° |
| C26 | C27 | C28 | H15 | 47.6° | 60.0° |
| C26 | C27 | C28 | H16 | 70.6° | 60.1° |
| C27 | C28 | C29 | H15 | 120.9° | 120.0° |
| C27 | C28 | C29 | H16 | 120.9° | 120.0° |
| C27 | C28 | C29 | C30 | 102.0° | 180.0° |
| C28 | C27 | C26 | H11 | 57.2° | 60.0° |
| C28 | C27 | C26 | H12 | 61.6° | 60.0° |
| C28 | C27 | H13 | H14 | 117.7° | 120.0° |
| C27 | C28 | H15 | H16 | 117.2° | 120.0° |
| C27 | C28 | C29 | H17 | 19.0° | 60.0° |
| C27 | C28 | C29 | H18 | 136.9° | 60.0° |
| C28 | C29 | C30 | H17 | 121.0° | 120.0° |
| C28 | C29 | C30 | H18 | 121.0° | 120.0° |
| C28 | C29 | C30 | C31 | 79.9° | NaN° |
| C29 | C28 | C27 | H13 | 70.8° | 60.0° |
| C29 | C28 | C27 | H14 | 47.8° | 60.0° |
| C29 | C28 | H15 | H16 | 117.2° | 120.0° |
| C28 | C29 | H17 | H18 | 116.7° | 120.0° |
| C28 | C29 | C30 | H19 | 40.9° | 59.9° |
| C28 | C29 | C30 | H20 | 159.3° | 60.0° |
| C29 | C30 | C31 | H19 | 120.8° | 120.0° |
| C29 | C30 | C31 | H20 | 120.8° | 120.0° |
| C29 | C30 | C31 | C32 | 81.4° | NaN° |
| C30 | C29 | C28 | H15 | 137.0° | 60.0° |
| C30 | C29 | C28 | H16 | 18.9° | 60.0° |
| C30 | C29 | H17 | H18 | 116.7° | 120.0° |
| C29 | C30 | H19 | H20 | 117.4° | 120.0° |
| C29 | C30 | C31 | H21 | 158.1° | 60.0° |
| C29 | C30 | C31 | H22 | 39.1° | 60.0° |
| C30 | C31 | C32 | H21 | 120.5° | 120.0° |
| C30 | C31 | C32 | H22 | 120.5° | 120.0° |
| C30 | C31 | C32 | C33 | 159.6° | 180.0° |
| C31 | C30 | C29 | H17 | 159.1° | 60.0° |
| C31 | C30 | C29 | H18 | 41.1° | 60.0° |
| C31 | C30 | H19 | H20 | 117.4° | 120.0° |
| C30 | C31 | H21 | H22 | 118.4° | 120.0° |
| C30 | C31 | C32 | H23 | 79.4° | 59.9° |
| C30 | C31 | C32 | H24 | 38.6° | 60.0° |
| C31 | C32 | C33 | H23 | 120.9° | 120.0° |
| C31 | C32 | C33 | H24 | 121.0° | 119.9° |
| C31 | C32 | C33 | C34 | 172.3° | 180.0° |
| C32 | C31 | C30 | H19 | 39.5° | 60.0° |
| C32 | C31 | C30 | H20 | 157.8° | 60.0° |
| C32 | C31 | H21 | H22 | 118.4° | 120.1° |
| C31 | C32 | H23 | H24 | 117.0° | 119.9° |
| C31 | C32 | C33 | H25 | 67.4° | 60.0° |
| C31 | C32 | C33 | H26 | 52.0° | 60.0° |
| C32 | C33 | C34 | H25 | 120.3° | 119.9° |
| C32 | C33 | C34 | H26 | 120.3° | 120.0° |
| C32 | C33 | C34 | C35 | 178.4° | 180.0° |
| C33 | C32 | C31 | H21 | 39.1° | 60.0° |
| C33 | C32 | C31 | H22 | 79.9° | 60.0° |
| C33 | C32 | H23 | H24 | 116.9° | 120.1° |
| C32 | C33 | H25 | H26 | 119.0° | 120.1° |
| C32 | C33 | C34 | H27 | 57.5° | 60.0° |
| C32 | C33 | C34 | H28 | 60.8° | 60.0° |
| C33 | C34 | C35 | H27 | 120.9° | 120.0° |
| C33 | C34 | C35 | H28 | 120.9° | 120.1° |
| C33 | C34 | C35 | C36 | 66.9° | 180.0° |
| C34 | C33 | C32 | H23 | 51.3° | 60.0° |
| C34 | C33 | C32 | H24 | 66.7° | 60.0° |
| C34 | C33 | H25 | H26 | 119.0° | 120.0° |
| C33 | C34 | H27 | H28 | 117.3° | 120.1° |
| C33 | C34 | C35 | H29 | 172.5° | 60.1° |
| C33 | C34 | C35 | H30 | 53.7° | 59.9° |
| C34 | C35 | C36 | H29 | 120.6° | 120.0° |
| C34 | C35 | C36 | H30 | 120.6° | 120.1° |
| C34 | C35 | C36 | C37 | 168.1° | 180.0° |
| C35 | C34 | C33 | H25 | 61.3° | 60.1° |
| C35 | C34 | C33 | H26 | 58.0° | 60.0° |
| C35 | C34 | H27 | H28 | 117.3° | 120.0° |
| C34 | C35 | H29 | H30 | 118.1° | 120.0° |
| C34 | C35 | C36 | H31 | 71.3° | 60.0° |
| C34 | C35 | C36 | H32 | 47.5° | 59.9° |
| C35 | C36 | C37 | H31 | 120.6° | 120.0° |
| C35 | C36 | C37 | H32 | 120.6° | 120.1° |
| C35 | C36 | C37 | C38 | 152.9° | 180.0° |
| C36 | C35 | C34 | H27 | 54.0° | 60.0° |
| C36 | C35 | C34 | H28 | 172.3° | 59.9° |
| C36 | C35 | H29 | H30 | 118.0° | 120.0° |
| C35 | C36 | H31 | H32 | 118.2° | 120.0° |
| C35 | C36 | C37 | H33 | 32.3° | 60.0° |
| C35 | C36 | C37 | H34 | 86.6° | 60.0° |
| C36 | C37 | C38 | H33 | 120.6° | 120.1° |
| C36 | C37 | C38 | H34 | 120.6° | 120.0° |
| C36 | C37 | C38 | C39 | 83.1° | 180.0° |
| C37 | C36 | C35 | H29 | 47.5° | 60.0° |
| C37 | C36 | C35 | H30 | 71.3° | 60.0° |
| C37 | C36 | H31 | H32 | 118.2° | 120.0° |
| C36 | C37 | H33 | H34 | 118.3° | 120.0° |
| C36 | C37 | C38 | H35 | 37.6° | 60.0° |
| C36 | C37 | C38 | H36 | 156.2° | 60.0° |
| C37 | C38 | C39 | H35 | 120.7° | 120.0° |
| C37 | C38 | C39 | H36 | 120.7° | 120.0° |
| C37 | C38 | C39 | C40 | 176.6° | 180.0° |
| C38 | C37 | C36 | H31 | 86.5° | 60.0° |
| C38 | C37 | C36 | H32 | 32.2° | 60.0° |
| C38 | C37 | H33 | H34 | 118.3° | 120.0° |
| C37 | C38 | H35 | H36 | 117.8° | 119.9° |
| C37 | C38 | C39 | H37 | 56.2° | 60.0° |
| C37 | C38 | C39 | H38 | 63.0° | 60.0° |
| C38 | C39 | C40 | H37 | 120.4° | 120.0° |
| C38 | C39 | C40 | H38 | 120.4° | 120.0° |
| C39 | C38 | C37 | H33 | 156.3° | 60.0° |
| C39 | C38 | C37 | H34 | 37.4° | 60.0° |
| C39 | C38 | H35 | H36 | 117.8° | 120.1° |
| C38 | C39 | H37 | H38 | 118.7° | 120.1° |
| C38 | C39 | C40 | H39 | 180.0° | 60.0° |
| C38 | C39 | C40 | H40 | 60.0° | 180.0° |
| C38 | C39 | C40 | H41 | 60.0° | 60.0° |
| C40 | C39 | C38 | H35 | 62.7° | 60.0° |
| C40 | C39 | C38 | H36 | 55.9° | 60.0° |
| C40 | C39 | H37 | H38 | 118.7° | 119.9° |
| C39 | C40 | H39 | H40 | 120.0° | 119.9° |
| C39 | C40 | H39 | H41 | 120.0° | 120.1° |
| C39 | C40 | H40 | H41 | 120.0° | 120.0° |
| H1 | C16 | C17 | H2 | 168.3° | 146.5° |
| H1 | C16 | O15 | H6 | 117.4° | 61.1° |
| H1 | C16 | C15 | H69 | 42.5° | 0.0° |
| H7 | C24 | C25 | H9 | 77.0° | 179.9° |
| H7 | C24 | C25 | H10 | 41.8° | 60.0° |
| H8 | C24 | C25 | H9 | 165.5° | 60.0° |
| H8 | C24 | C25 | H10 | 75.7° | 180.0° |
| H9 | C25 | C26 | H11 | 116.7° | 180.0° |
| H9 | C25 | C26 | H12 | 2.1° | 59.9° |
| H10 | C25 | C26 | H11 | 124.5° | 60.0° |
| H10 | C25 | C26 | H12 | 116.7° | 180.0° |
| H11 | C26 | C27 | H13 | 177.9° | 180.0° |
| H11 | C26 | C27 | H14 | 63.5° | 60.0° |
| H12 | C26 | C27 | H13 | 59.1° | 59.9° |
| H12 | C26 | C27 | H14 | 177.7° | 180.0° |
| H13 | C27 | C28 | H15 | 168.3° | 180.0° |
| H13 | C27 | C28 | H16 | 50.1° | 60.0° |
| H14 | C27 | C28 | H15 | 73.2° | 60.0° |
| H14 | C27 | C28 | H16 | 168.7° | 180.0° |
| H15 | C28 | C29 | H17 | 101.9° | 180.0° |
| H15 | C28 | C29 | H18 | 16.0° | 60.0° |
| H16 | C28 | C29 | H17 | 139.9° | 59.9° |
| H16 | C28 | C29 | H18 | 102.1° | 180.0° |
| H17 | C29 | C30 | H19 | 80.1° | 180.0° |
| H17 | C29 | C30 | H20 | 38.2° | 60.0° |
| H18 | C29 | C30 | H19 | 162.0° | 60.0° |
| H18 | C29 | C30 | H20 | 79.7° | 180.0° |
| H19 | C30 | C31 | H21 | 81.1° | 180.0° |
| H19 | C30 | C31 | H22 | 160.0° | 60.0° |
| H20 | C30 | C31 | H21 | 37.2° | 60.0° |
| H20 | C30 | C31 | H22 | 81.7° | 180.0° |
| H21 | C31 | C32 | H23 | 160.0° | 179.9° |
| H21 | C31 | C32 | H24 | 81.9° | 60.0° |
| H22 | C31 | C32 | H23 | 41.1° | 60.0° |
| H22 | C31 | C32 | H24 | 159.2° | 179.9° |
| H23 | C32 | C33 | H25 | 171.7° | 180.0° |
| H23 | C32 | C33 | H26 | 69.0° | 60.0° |
| H24 | C32 | C33 | H25 | 53.6° | 59.9° |
| H24 | C32 | C33 | H26 | 173.0° | 180.0° |
| H25 | C33 | C34 | H27 | 177.8° | 180.0° |
| H25 | C33 | C34 | H28 | 59.5° | 60.0° |
| H26 | C33 | C34 | H27 | 62.8° | 60.0° |
| H26 | C33 | C34 | H28 | 178.9° | 180.0° |
| H27 | C34 | C35 | H29 | 66.6° | 180.0° |
| H27 | C34 | C35 | H30 | 174.6° | 60.1° |
| H28 | C34 | C35 | H29 | 51.6° | 60.0° |
| H28 | C34 | C35 | H30 | 67.1° | 180.0° |
| H29 | C35 | C36 | H31 | 168.1° | 180.0° |
| H29 | C35 | C36 | H32 | 73.1° | 60.0° |
| H30 | C35 | C36 | H31 | 49.3° | 60.0° |
| H30 | C35 | C36 | H32 | 168.1° | 180.0° |
| H31 | C36 | C37 | H33 | 152.9° | 179.9° |
| H31 | C36 | C37 | H34 | 34.0° | 60.0° |
| H32 | C36 | C37 | H33 | 88.3° | 60.1° |
| H32 | C36 | C37 | H34 | 152.8° | 180.0° |
| H33 | C37 | C38 | H35 | 82.9° | 180.0° |
| H33 | C37 | C38 | H36 | 35.6° | 60.1° |
| H34 | C37 | C38 | H35 | 158.2° | 60.0° |
| H34 | C37 | C38 | H36 | 83.3° | 180.0° |
| H35 | C38 | C39 | H37 | 176.9° | 180.0° |
| H35 | C38 | C39 | H38 | 57.7° | 59.9° |
| H36 | C38 | C39 | H37 | 64.5° | 60.0° |
| H36 | C38 | C39 | H38 | 176.3° | 180.0° |
| H37 | C39 | C40 | H39 | 59.6° | 60.0° |
| H37 | C39 | C40 | H40 | 179.6° | 60.0° |
| H37 | C39 | C40 | H41 | 60.4° | 179.9° |
| H38 | C39 | C40 | H39 | 59.6° | 179.9° |
| H38 | C39 | C40 | H40 | 60.4° | 60.0° |
| H38 | C39 | C40 | H41 | 179.6° | 60.0° |
| H39 | C40 | H40 | H41 | 120.0° | 120.0° |
| H44 | C2 | C3 | H46 | 120.4° | 180.0° |
| H44 | C2 | C3 | H47 | 2.2° | 60.0° |
| H45 | C2 | C3 | H46 | 121.7° | 60.0° |
| H45 | C2 | C3 | H47 | 120.0° | 180.0° |
| H46 | C3 | N | H48 | 56.1° | 120.0° |
| H47 | C3 | N | H48 | 174.4° | 120.0° |
| H49 | C5 | C6 | H51 | 100.7° | 180.0° |
| H49 | C5 | C6 | H52 | 139.8° | 60.1° |
| H50 | C5 | C6 | H51 | 17.7° | 60.0° |
| H50 | C5 | C6 | H52 | 101.7° | 179.9° |
| H51 | C6 | N1 | H53 | 44.5° | 119.9° |
| H52 | C6 | N1 | H53 | 163.9° | 120.1° |
| H54 | C8 | O3 | H55 | 135.2° | 180.0° |
| H56 | C10 | H57 | H58 | 120.0° | 120.0° |
| H59 | C11 | H60 | H61 | 120.0° | 119.9° |
| H66 | C13 | C14 | H68 | 62.3° | 175.8° |
| H67 | C13 | C14 | H68 | 177.7° | 64.3° |
| H68 | C14 | C15 | H69 | 99.5° | 146.5° |
