Q5B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | P2 | doub | 1.48Å | 1.55Å | |
| O10 | P2 | sing | 1.61Å | 1.50Å | |
| P2 | O11 | sing | 1.61Å | 1.54Å | |
| P2 | O9 | sing | 1.61Å | 1.62Å | |
| O5 | P1 | doub | 1.48Å | 1.54Å | |
| O4 | P1 | sing | 1.61Å | 1.48Å | |
| O9 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C6 | C5 | sing | 1.54Å | 1.53Å | |
| P1 | O6 | sing | 1.61Å | 1.57Å | |
| P1 | O3 | sing | 1.61Å | 1.59Å | |
| O8 | C7 | sing | 1.43Å | 1.42Å | |
| O6 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.55Å | 1.53Å | |
| C5 | O7 | sing | 1.44Å | 1.44Å | |
| O2 | P | doub | 1.48Å | 1.51Å | |
| O3 | P | sing | 1.61Å | 1.58Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C8 | O7 | sing | 1.44Å | 1.41Å | |
| C8 | N | sing | 1.46Å | 1.46Å | |
| P | O | sing | 1.61Å | 1.57Å | |
| P | O1 | sing | 1.61Å | 1.48Å | |
| O13 | C15 | doub | 1.21Å | 1.23Å | |
| O | C3 | sing | 1.43Å | 1.43Å | |
| N | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| N | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| C1 | C14 | sing | 1.53Å | 1.55Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C15 | N5 | sing | 1.35Å | 1.33Å | |
| C14 | O21 | sing | 1.43Å | 1.42Å | |
| C11 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| N1 | C10 | sing | 1.36Å | 1.38Å | Aromatic |
| N2 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| N5 | C16 | sing | 1.47Å | 1.46Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C12 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C13 | N4 | sing | 1.38Å | 1.34Å | |
| N6 | C18 | sing | 1.35Å | 1.34Å | |
| N6 | C19 | sing | 1.47Å | 1.47Å | |
| O16 | C25 | doub | 1.21Å | 1.22Å | |
| C18 | O14 | doub | 1.21Å | 1.23Å | |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| C25 | O17 | sing | 1.34Å | 1.31Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| S | C20 | sing | 1.81Å | 1.84Å | |
| S | C21 | sing | 1.71Å | 1.77Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| O18 | C26 | doub | 1.21Å | 1.21Å | |
| C21 | O15 | doub | 1.21Å | 1.20Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C26 | sing | 1.51Å | 1.53Å | |
| C23 | O20 | sing | 1.43Å | 1.42Å | |
| C26 | O19 | sing | 1.34Å | 1.30Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.08Å | 1.08Å | |
| N4 | H30 | sing | 0.97Å | 1.00Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| O1 | H34 | sing | 0.97Å | 0.95Å | |
| O10 | H35 | sing | 0.97Å | 0.95Å | |
| O11 | H36 | sing | 0.97Å | 0.95Å | |
| O17 | H37 | sing | 0.97Å | 0.95Å | |
| O19 | H38 | sing | 0.97Å | 0.95Å | |
| O20 | H39 | sing | 0.97Å | 0.95Å | |
| O21 | H40 | sing | 0.97Å | 0.95Å | |
| O4 | H41 | sing | 0.97Å | 0.95Å | |
| O8 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | P2 | O10 | 112.9° | 109.5° |
| O12 | P2 | O11 | 108.3° | 109.5° |
| O12 | P2 | O9 | 107.5° | 109.4° |
| O10 | P2 | O11 | 112.4° | 109.5° |
| O10 | P2 | O9 | 110.0° | 109.5° |
| P2 | O10 | H35 | 109.5° | 114.0° |
| O11 | P2 | O9 | 105.3° | 109.5° |
| P2 | O11 | H36 | 109.5° | 114.0° |
| P2 | O9 | C6 | 130.4° | 123.0° |
| O5 | P1 | O4 | 114.3° | 109.4° |
| O5 | P1 | O6 | 107.8° | 109.5° |
| O5 | P1 | O3 | 106.9° | 109.5° |
| O4 | P1 | O6 | 114.1° | 109.4° |
| O4 | P1 | O3 | 111.9° | 109.5° |
| P1 | O4 | H41 | 109.5° | 114.0° |
| O9 | C6 | C7 | 108.2° | 110.5° |
| O9 | C6 | C5 | 107.9° | 110.5° |
| O9 | C6 | H26 | 113.0° | 110.5° |
| C7 | C6 | C5 | 104.0° | 104.2° |
| C6 | C7 | O8 | 110.0° | 110.9° |
| C6 | C7 | C8 | 100.7° | 102.1° |
| C7 | C6 | H26 | 111.7° | 110.5° |
| C6 | C7 | H27 | 111.1° | 110.9° |
| C6 | C5 | C4 | 114.8° | 109.9° |
| C6 | C5 | O7 | 106.0° | 107.3° |
| C6 | C5 | H25 | 108.4° | 110.0° |
| C5 | C6 | H26 | 111.6° | 110.5° |
| O6 | P1 | O3 | 100.7° | 109.5° |
| P1 | O6 | C4 | 126.5° | 123.0° |
| P1 | O3 | P | 123.4° | 134.0° |
| O8 | C7 | C8 | 110.7° | 110.9° |
| O8 | C7 | H27 | 112.7° | 110.8° |
| C7 | O8 | H42 | 109.5° | 114.0° |
| O6 | C4 | C5 | 106.9° | 109.5° |
| O6 | C4 | H23 | 110.1° | 109.4° |
| O6 | C4 | H24 | 110.1° | 109.5° |
| C4 | C5 | O7 | 109.4° | 109.9° |
| C5 | C4 | H23 | 110.1° | 109.5° |
| C5 | C4 | H24 | 110.1° | 109.5° |
| C4 | C5 | H25 | 108.7° | 109.9° |
| C7 | C8 | O7 | 106.2° | 103.5° |
| C7 | C8 | N | 113.3° | 110.6° |
| C8 | C7 | H27 | 111.0° | 110.9° |
| C7 | C8 | H28 | 108.9° | 110.6° |
| C5 | O7 | C8 | 110.0° | 107.0° |
| O7 | C5 | H25 | 109.5° | 109.8° |
| O2 | P | O3 | 105.4° | 109.5° |
| O2 | P | O | 105.6° | 109.5° |
| O2 | P | O1 | 112.6° | 109.5° |
| O3 | P | O | 105.0° | 109.5° |
| O3 | P | O1 | 112.5° | 109.5° |
| C | C1 | C14 | 109.7° | 109.5° |
| C | C1 | C3 | 108.2° | 109.4° |
| C | C1 | C2 | 109.9° | 109.4° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| O7 | C8 | N | 108.1° | 110.6° |
| O7 | C8 | H28 | 110.5° | 110.6° |
| C8 | N | C9 | 127.1° | 126.2° |
| C8 | N | C11 | 126.9° | 126.3° |
| N | C8 | H28 | 109.8° | 110.7° |
| O | P | O1 | 114.8° | 109.5° |
| P | O | C3 | 125.4° | 123.0° |
| P | O1 | H34 | 109.5° | 114.0° |
| O13 | C15 | C14 | 120.3° | 120.0° |
| O13 | C15 | N5 | 123.0° | 120.0° |
| O | C3 | C1 | 109.9° | 109.5° |
| O | C3 | H21 | 109.4° | 109.5° |
| O | C3 | H22 | 109.4° | 109.5° |
| C9 | N | C11 | 105.7° | 107.4° |
| N | C9 | N1 | 114.3° | 110.0° |
| N | C9 | H29 | 122.9° | 125.0° |
| N | C11 | N2 | 127.5° | 134.9° |
| N | C11 | C10 | 105.4° | 106.0° |
| C9 | N1 | C10 | 103.4° | 109.4° |
| N1 | C9 | H29 | 122.9° | 125.0° |
| C14 | C1 | C3 | 110.7° | 109.5° |
| C14 | C1 | C2 | 109.6° | 109.5° |
| C1 | C14 | C15 | 114.9° | 109.5° |
| C1 | C14 | O21 | 106.3° | 109.4° |
| C1 | C14 | H5 | 107.5° | 109.4° |
| C3 | C1 | C2 | 108.7° | 109.5° |
| C1 | C3 | H21 | 109.3° | 109.4° |
| C1 | C3 | H22 | 109.4° | 109.5° |
| C1 | C2 | H12 | 109.5° | 109.5° |
| C1 | C2 | H13 | 109.5° | 109.5° |
| C1 | C2 | H14 | 109.5° | 109.5° |
| C14 | C15 | N5 | 116.7° | 120.0° |
| C15 | C14 | O21 | 111.1° | 109.5° |
| C15 | C14 | H5 | 107.8° | 109.5° |
| C15 | N5 | C16 | 122.7° | 120.0° |
| C15 | N5 | H32 | 118.7° | 120.0° |
| O21 | C14 | H5 | 109.1° | 109.5° |
| C14 | O21 | H40 | 109.5° | 113.9° |
| N2 | C11 | C10 | 127.1° | 119.1° |
| C11 | N2 | C12 | 111.0° | 120.6° |
| C11 | C10 | N1 | 111.2° | 107.1° |
| C11 | C10 | C13 | 116.5° | 118.2° |
| N1 | C10 | C13 | 132.2° | 134.7° |
| N2 | C12 | N3 | 128.7° | 122.5° |
| N2 | C12 | H4 | 115.7° | 118.7° |
| C10 | C13 | N3 | 117.7° | 118.4° |
| C10 | C13 | N4 | 123.5° | 120.8° |
| N5 | C16 | C17 | 111.9° | 109.4° |
| N5 | C16 | H6 | 108.9° | 109.4° |
| N5 | C16 | H7 | 108.9° | 109.5° |
| C16 | N5 | H32 | 118.6° | 120.0° |
| C16 | C17 | C18 | 112.1° | 109.4° |
| C17 | C16 | H6 | 108.9° | 109.5° |
| C17 | C16 | H7 | 108.9° | 109.5° |
| C16 | C17 | H8 | 108.8° | 109.5° |
| C16 | C17 | H9 | 108.8° | 109.5° |
| C17 | C18 | N6 | 116.5° | 120.0° |
| C17 | C18 | O14 | 120.1° | 120.0° |
| C18 | C17 | H8 | 108.8° | 109.5° |
| C18 | C17 | H9 | 108.8° | 109.5° |
| C12 | N3 | C13 | 119.0° | 121.2° |
| N3 | C12 | H4 | 115.7° | 118.8° |
| N3 | C13 | N4 | 118.7° | 120.8° |
| C13 | N4 | H30 | 109.5° | 120.0° |
| C13 | N4 | H31 | 109.4° | 120.0° |
| C18 | N6 | C19 | 124.7° | 120.0° |
| N6 | C18 | O14 | 123.4° | 120.0° |
| C18 | N6 | H33 | 117.7° | 120.0° |
| N6 | C19 | C20 | 114.7° | 109.4° |
| N6 | C19 | H10 | 108.2° | 109.5° |
| N6 | C19 | H11 | 108.2° | 109.5° |
| C19 | N6 | H33 | 117.6° | 120.0° |
| O16 | C25 | C24 | 121.3° | 120.0° |
| O16 | C25 | O17 | 122.6° | 120.0° |
| C24 | C25 | O17 | 116.1° | 120.0° |
| C25 | C24 | C23 | 118.4° | 109.4° |
| C25 | C24 | H19 | 107.2° | 109.4° |
| C25 | C24 | H20 | 107.2° | 109.5° |
| C25 | O17 | H37 | 109.5° | 117.0° |
| C24 | C23 | C22 | 113.8° | 109.4° |
| C24 | C23 | C26 | 109.1° | 109.5° |
| C24 | C23 | O20 | 109.7° | 109.4° |
| C23 | C24 | H19 | 107.2° | 109.5° |
| C23 | C24 | H20 | 107.2° | 109.4° |
| C20 | S | C21 | 103.7° | 100.0° |
| S | C20 | C19 | 121.1° | 109.4° |
| S | C20 | H15 | 106.5° | 109.4° |
| S | C20 | H16 | 106.5° | 109.5° |
| S | C21 | O15 | 122.5° | 120.0° |
| S | C21 | C22 | 114.1° | 120.0° |
| C20 | C19 | H10 | 108.2° | 109.5° |
| C20 | C19 | H11 | 108.1° | 109.5° |
| C19 | C20 | H15 | 106.5° | 109.5° |
| C19 | C20 | H16 | 106.5° | 109.5° |
| O18 | C26 | C23 | 122.7° | 120.1° |
| O18 | C26 | O19 | 124.2° | 119.9° |
| O15 | C21 | C22 | 123.3° | 120.0° |
| C21 | C22 | C23 | 128.1° | 109.4° |
| C21 | C22 | H17 | 104.7° | 109.5° |
| C21 | C22 | H18 | 104.7° | 109.5° |
| C22 | C23 | C26 | 105.7° | 109.5° |
| C22 | C23 | O20 | 109.9° | 109.4° |
| C23 | C22 | H17 | 104.6° | 109.5° |
| C23 | C22 | H18 | 104.6° | 109.5° |
| C26 | C23 | O20 | 108.4° | 109.5° |
| C23 | C26 | O19 | 113.1° | 120.0° |
| C23 | O20 | H39 | 109.5° | 114.1° |
| C26 | O19 | H38 | 109.5° | 117.1° |
| H1 | C | H2 | 109.5° | 109.4° |
| H1 | C | H3 | 109.4° | 109.5° |
| H2 | C | H3 | 109.4° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.4° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.4° |
| H12 | C2 | H14 | 109.4° | 109.4° |
| H13 | C2 | H14 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.6° |
| H21 | C3 | H22 | 109.5° | 109.4° |
| H23 | C4 | H24 | 109.5° | 109.4° |
| H30 | N4 | H31 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | P2 | O10 | O11 | 122.9° | 120.1° |
| O12 | P2 | O10 | O9 | 120.1° | 120.0° |
| O12 | P2 | O11 | O9 | 114.8° | 120.0° |
| O12 | P2 | O9 | C6 | 21.2° | 55.0° |
| O12 | P2 | O10 | H35 | 0.0° | 60.0° |
| O12 | P2 | O11 | H36 | 0.0° | 180.0° |
| O10 | P2 | O11 | O9 | 119.7° | 120.0° |
| O10 | P2 | O9 | C6 | 102.1° | 175.0° |
| O10 | P2 | O11 | H36 | 125.5° | 60.0° |
| O11 | P2 | O9 | C6 | 136.5° | 65.0° |
| O11 | P2 | O10 | H35 | 123.0° | 60.0° |
| P2 | O9 | C6 | C7 | 125.2° | 121.5° |
| P2 | O9 | C6 | C5 | 122.9° | 123.8° |
| P2 | O9 | C6 | H26 | 1.0° | 1.2° |
| O9 | P2 | O10 | H35 | 120.1° | 180.0° |
| O9 | P2 | O11 | H36 | 114.8° | 60.0° |
| O5 | P1 | O4 | O6 | 124.7° | 120.0° |
| O5 | P1 | O4 | O3 | 121.7° | 120.0° |
| O5 | P1 | O6 | O3 | 111.8° | 120.1° |
| O5 | P1 | O6 | C4 | 45.2° | 55.0° |
| O5 | P1 | O3 | P | 83.3° | 45.0° |
| O5 | P1 | O4 | H41 | 0.0° | 180.0° |
| O4 | P1 | O6 | O3 | 120.1° | 120.0° |
| O4 | P1 | O6 | C4 | 173.3° | 65.0° |
| O4 | P1 | O3 | P | 42.5° | 75.0° |
| O9 | C6 | C7 | C5 | 114.5° | 118.7° |
| O9 | C6 | C7 | H26 | 125.0° | 122.7° |
| O9 | C6 | C5 | H26 | 124.7° | 122.6° |
| O9 | C6 | C7 | O8 | 35.3° | 20.4° |
| O9 | C6 | C5 | C4 | 144.8° | 119.9° |
| O9 | C6 | C7 | C8 | 81.5° | 97.8° |
| O9 | C6 | C5 | O7 | 94.4° | 120.7° |
| O9 | C6 | C5 | H25 | 23.1° | 1.3° |
| O9 | C6 | C7 | H27 | 160.8° | 144.0° |
| C7 | C6 | C5 | H26 | 120.6° | 118.7° |
| C6 | C7 | O8 | C8 | 110.4° | 112.7° |
| C6 | C7 | O8 | H27 | 124.6° | 123.6° |
| C7 | C6 | C5 | C4 | 100.5° | 121.4° |
| C6 | C7 | C8 | H27 | 117.7° | 118.2° |
| C7 | C6 | C5 | O7 | 20.4° | 2.0° |
| C6 | C7 | C8 | O7 | 35.4° | 37.0° |
| C6 | C7 | C8 | N | 153.9° | 155.5° |
| C7 | C6 | C5 | H25 | 137.8° | 117.4° |
| C6 | C7 | C8 | H28 | 83.6° | 81.5° |
| C6 | C7 | O8 | H42 | 180.0° | 180.0° |
| C5 | C6 | C7 | O8 | 149.8° | 139.1° |
| C6 | C5 | C4 | O6 | 42.4° | 175.7° |
| C6 | C5 | C4 | O7 | 119.0° | 117.8° |
| C6 | C5 | C4 | H25 | 121.5° | 121.2° |
| C5 | C6 | C7 | C8 | 33.0° | 20.9° |
| C6 | C5 | O7 | H25 | 116.7° | 119.6° |
| C6 | C5 | O7 | C8 | 2.2° | 26.5° |
| C6 | C5 | C4 | H23 | 77.2° | 55.7° |
| C6 | C5 | C4 | H24 | 162.0° | 64.2° |
| C5 | C6 | C7 | H27 | 84.7° | 97.3° |
| P1 | O6 | C4 | C5 | 166.3° | 180.0° |
| O6 | P1 | O3 | P | 164.1° | 165.0° |
| P1 | O6 | C4 | H23 | 74.1° | 60.0° |
| P1 | O6 | C4 | H24 | 46.7° | 60.0° |
| O6 | P1 | O4 | H41 | 124.7° | 60.0° |
| O3 | P1 | O6 | C4 | 66.6° | 175.0° |
| P1 | O3 | P | O2 | 17.3° | 45.0° |
| P1 | O3 | P | O | 93.9° | 165.0° |
| P1 | O3 | P | O1 | 140.5° | 75.0° |
| O3 | P1 | O4 | H41 | 121.7° | 60.0° |
| O8 | C7 | C8 | H27 | 125.9° | 123.6° |
| O8 | C7 | C8 | O7 | 151.7° | 155.2° |
| O8 | C7 | C8 | N | 89.8° | 86.2° |
| O8 | C7 | C6 | H26 | 89.7° | 102.2° |
| O8 | C7 | C8 | H28 | 32.7° | 36.7° |
| O6 | C4 | C5 | H23 | 119.6° | 120.0° |
| O6 | C4 | C5 | H24 | 119.6° | 120.1° |
| O6 | C4 | C5 | O7 | 76.5° | 66.5° |
| O6 | C4 | H23 | H24 | 121.2° | 120.0° |
| O6 | C4 | C5 | H25 | 163.9° | 54.5° |
| C4 | C5 | O7 | H25 | 119.0° | 121.0° |
| C4 | C5 | O7 | C8 | 126.4° | 145.9° |
| C5 | C4 | H23 | H24 | 121.2° | 120.0° |
| C4 | C5 | C6 | H26 | 20.1° | 2.8° |
| C7 | C8 | O7 | C5 | 24.0° | 40.0° |
| C7 | C8 | O7 | N | 121.8° | 118.6° |
| C7 | C8 | O7 | H28 | 117.9° | 118.5° |
| C7 | C8 | N | H28 | 121.9° | 122.9° |
| C7 | C8 | N | C9 | 68.0° | 95.0° |
| C7 | C8 | N | C11 | 104.1° | 84.6° |
| C8 | C7 | C6 | H26 | 153.5° | 139.5° |
| C8 | C7 | O8 | H42 | 69.5° | 67.3° |
| C5 | O7 | C8 | N | 145.9° | 158.6° |
| O7 | C5 | C4 | H23 | 163.9° | 173.5° |
| O7 | C5 | C4 | H24 | 43.1° | 53.6° |
| O7 | C5 | C6 | H26 | 140.9° | 116.7° |
| C5 | O7 | C8 | H28 | 93.9° | 78.4° |
| O2 | P | O3 | O | 111.2° | 120.0° |
| O2 | P | O3 | O1 | 123.2° | 120.0° |
| O2 | P | O | O1 | 124.7° | 120.0° |
| O2 | P | O | C3 | 81.6° | 55.0° |
| O2 | P | O1 | H34 | 0.0° | 180.0° |
| O3 | P | O | O1 | 124.2° | 120.0° |
| O3 | P | O | C3 | 167.3° | 175.0° |
| O3 | P | O1 | H34 | 119.0° | 60.0° |
| C | C1 | C3 | O | 69.8° | 60.0° |
| C | C1 | C14 | C3 | 119.3° | 120.0° |
| C | C1 | C14 | C2 | 120.8° | 120.0° |
| C | C1 | C3 | C2 | 119.3° | 119.9° |
| C | C1 | C14 | C15 | 70.3° | 65.8° |
| C | C1 | C14 | O21 | 166.4° | 174.2° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C | C1 | C14 | H5 | 49.7° | 54.3° |
| C | C1 | C2 | H12 | 180.0° | 63.4° |
| C | C1 | C2 | H13 | 60.0° | 176.6° |
| C | C1 | C2 | H14 | 60.0° | 56.6° |
| C | C1 | C3 | H21 | 170.1° | 180.0° |
| C | C1 | C3 | H22 | 50.2° | 60.1° |
| O7 | C8 | N | H28 | 120.7° | 122.9° |
| O7 | C8 | N | C9 | 49.4° | 19.1° |
| O7 | C8 | N | C11 | 138.6° | 161.2° |
| C8 | O7 | C5 | H25 | 114.5° | 93.1° |
| O7 | C8 | C7 | H27 | 82.4° | 81.2° |
| C8 | N | C9 | C11 | 173.4° | 179.7° |
| C8 | N | C9 | N1 | 171.8° | 179.7° |
| C8 | N | C11 | N2 | 7.2° | 0.3° |
| C8 | N | C11 | C10 | 171.4° | 179.7° |
| N | C8 | C7 | H27 | 36.2° | 37.4° |
| C8 | N | C9 | H29 | 8.2° | 0.3° |
| P | O | C3 | C1 | 152.7° | 180.0° |
| P | O | C3 | H21 | 87.2° | 60.0° |
| P | O | C3 | H22 | 32.7° | 60.0° |
| O | P | O1 | H34 | 120.9° | 60.0° |
| O1 | P | O | C3 | 43.1° | 65.0° |
| O13 | C15 | C14 | C1 | 76.4° | 111.9° |
| O13 | C15 | C14 | N5 | 178.5° | 179.9° |
| O13 | C15 | C14 | O21 | 162.8° | 8.1° |
| O13 | C15 | N5 | C16 | 2.7° | 4.5° |
| O13 | C15 | C14 | H5 | 43.4° | 128.1° |
| O13 | C15 | N5 | H32 | 177.3° | 175.6° |
| O | C3 | C1 | C14 | 50.4° | 180.0° |
| O | C3 | C1 | H21 | 120.0° | 120.0° |
| O | C3 | C1 | H22 | 120.1° | 120.0° |
| O | C3 | C1 | C2 | 170.9° | 60.0° |
| O | C3 | H21 | H22 | 119.8° | 120.0° |
| N | C9 | N1 | H29 | 180.0° | 180.0° |
| C9 | N | C11 | N2 | 179.4° | 180.0° |
| C9 | N | C11 | C10 | 2.1° | 0.0° |
| N | C9 | N1 | C10 | 0.3° | 0.0° |
| C9 | N | C8 | H28 | 170.0° | 142.1° |
| C11 | N | C9 | N1 | 1.6° | 0.0° |
| N | C11 | N2 | C10 | 178.2° | 180.0° |
| N | C11 | C10 | N1 | 2.0° | 0.0° |
| N | C11 | N2 | C12 | 177.5° | 180.0° |
| N | C11 | C10 | C13 | 176.3° | 180.0° |
| C11 | N | C8 | H28 | 17.9° | 38.3° |
| C11 | N | C9 | H29 | 178.4° | 180.0° |
| C9 | N1 | C10 | C11 | 1.1° | 0.0° |
| C9 | N1 | C10 | C13 | 176.9° | 180.0° |
| C14 | C1 | C3 | C2 | 120.5° | 120.0° |
| C1 | C14 | C15 | O21 | 120.7° | 120.0° |
| C1 | C14 | C15 | H5 | 119.8° | 120.0° |
| C1 | C14 | C15 | N5 | 105.0° | 68.2° |
| C1 | C14 | O21 | H5 | 115.6° | 119.9° |
| C14 | C1 | C | H1 | 180.0° | 66.4° |
| C14 | C1 | C | H2 | 60.0° | 173.6° |
| C14 | C1 | C | H3 | 60.0° | 53.6° |
| C14 | C1 | C2 | H12 | 59.3° | 176.6° |
| C14 | C1 | C2 | H13 | 179.3° | 56.6° |
| C14 | C1 | C2 | H14 | 60.6° | 63.4° |
| C14 | C1 | C3 | H21 | 69.7° | 60.0° |
| C14 | C1 | C3 | H22 | 170.5° | 60.0° |
| C1 | C14 | O21 | H40 | 180.0° | 60.0° |
| C3 | C1 | C14 | C15 | 170.4° | 54.2° |
| C3 | C1 | C14 | O21 | 47.1° | 65.8° |
| C3 | C1 | C | H1 | 59.1° | 53.6° |
| C3 | C1 | C | H2 | 60.9° | 66.4° |
| C3 | C1 | C | H3 | 179.1° | 173.6° |
| C3 | C1 | C14 | H5 | 69.6° | 174.3° |
| C3 | C1 | C2 | H12 | 61.8° | 56.6° |
| C3 | C1 | C2 | H13 | 58.2° | 63.4° |
| C3 | C1 | C2 | H14 | 178.2° | 176.5° |
| C1 | C3 | H21 | H22 | 119.8° | 120.0° |
| C2 | C1 | C14 | C15 | 50.5° | 174.2° |
| C2 | C1 | C14 | O21 | 72.8° | 54.2° |
| C2 | C1 | C | H1 | 59.4° | 173.5° |
| C2 | C1 | C | H2 | 179.4° | 53.6° |
| C2 | C1 | C | H3 | 60.6° | 66.5° |
| C2 | C1 | C14 | H5 | 170.5° | 65.7° |
| C1 | C2 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | H12 | H14 | 120.0° | 120.0° |
| C1 | C2 | H13 | H14 | 120.0° | 120.0° |
| C2 | C1 | C3 | H21 | 50.8° | 60.0° |
| C2 | C1 | C3 | H22 | 69.1° | 180.0° |
| C15 | C14 | O21 | H5 | 118.7° | 120.1° |
| C14 | C15 | N5 | C16 | 175.8° | 175.6° |
| C14 | C15 | N5 | H32 | 4.2° | 4.3° |
| C15 | C14 | O21 | H40 | 54.3° | 60.0° |
| N5 | C15 | C14 | O21 | 15.7° | 171.8° |
| C15 | N5 | C16 | H32 | 180.0° | 179.9° |
| C15 | N5 | C16 | C17 | 75.2° | 180.0° |
| N5 | C15 | C14 | H5 | 135.2° | 51.8° |
| C15 | N5 | C16 | H6 | 45.1° | 60.0° |
| C15 | N5 | C16 | H7 | 164.4° | 60.0° |
| N2 | C11 | C10 | N1 | 179.5° | 180.0° |
| N2 | C11 | C10 | C13 | 2.2° | 0.0° |
| C11 | N2 | C12 | N3 | 0.9° | 0.0° |
| C11 | N2 | C12 | H4 | 179.1° | 179.9° |
| C11 | C10 | N1 | C13 | 178.0° | 180.0° |
| C10 | C11 | N2 | C12 | 0.7° | 0.0° |
| C11 | C10 | C13 | N3 | 2.2° | 0.1° |
| C11 | C10 | C13 | N4 | 174.3° | 180.0° |
| N1 | C10 | C13 | N3 | 179.9° | 180.0° |
| N1 | C10 | C13 | N4 | 3.6° | 0.1° |
| C10 | N1 | C9 | H29 | 179.6° | 180.0° |
| N2 | C12 | N3 | H4 | 180.0° | 180.0° |
| N2 | C12 | N3 | C13 | 0.7° | 0.0° |
| C10 | C13 | N3 | C12 | 0.9° | 0.1° |
| C10 | C13 | N3 | N4 | 176.6° | 179.9° |
| C10 | C13 | N4 | H30 | 176.5° | 0.0° |
| C10 | C13 | N4 | H31 | 63.6° | 180.0° |
| N5 | C16 | C17 | H6 | 120.4° | 119.9° |
| N5 | C16 | C17 | H7 | 120.4° | 120.0° |
| N5 | C16 | C17 | C18 | 72.1° | 180.0° |
| N5 | C16 | H6 | H7 | 118.9° | 120.0° |
| N5 | C16 | C17 | H8 | 48.3° | 60.0° |
| N5 | C16 | C17 | H9 | 167.5° | 60.0° |
| C16 | C17 | C18 | H8 | 120.4° | 120.0° |
| C16 | C17 | C18 | H9 | 120.4° | 120.0° |
| C16 | C17 | C18 | N6 | 131.7° | 180.0° |
| C16 | C17 | C18 | O14 | 47.6° | 0.0° |
| C17 | C16 | H6 | H7 | 118.9° | 120.1° |
| C16 | C17 | H8 | H9 | 118.8° | 120.0° |
| C17 | C16 | N5 | H32 | 104.8° | 0.0° |
| C17 | C18 | N6 | O14 | 179.3° | 180.0° |
| C17 | C18 | N6 | C19 | 174.4° | 180.0° |
| C18 | C17 | C16 | H6 | 167.5° | 60.0° |
| C18 | C17 | C16 | H7 | 48.3° | 60.0° |
| C18 | C17 | H8 | H9 | 118.8° | 120.0° |
| C17 | C18 | N6 | H33 | 5.6° | 0.0° |
| C12 | N3 | C13 | N4 | 175.7° | 180.0° |
| C13 | N3 | C12 | H4 | 179.3° | 180.0° |
| N3 | C13 | N4 | H30 | 0.0° | 179.9° |
| N3 | C13 | N4 | H31 | 120.0° | 0.0° |
| C13 | N4 | H30 | H31 | 120.0° | 180.0° |
| C18 | N6 | C19 | H33 | 180.0° | 180.0° |
| C18 | N6 | C19 | C20 | 108.1° | 180.0° |
| N6 | C18 | C17 | H8 | 11.3° | 60.0° |
| N6 | C18 | C17 | H9 | 107.9° | 60.0° |
| C18 | N6 | C19 | H10 | 131.1° | 60.0° |
| C18 | N6 | C19 | H11 | 12.6° | 60.0° |
| C19 | N6 | C18 | O14 | 6.3° | 0.0° |
| N6 | C19 | C20 | S | 115.1° | 180.0° |
| N6 | C19 | C20 | H10 | 120.8° | 120.0° |
| N6 | C19 | C20 | H11 | 120.8° | 120.0° |
| N6 | C19 | H10 | H11 | 117.7° | 120.0° |
| N6 | C19 | C20 | H15 | 6.5° | 60.0° |
| N6 | C19 | C20 | H16 | 123.2° | 60.0° |
| O16 | C25 | C24 | O17 | 180.0° | 179.9° |
| O16 | C25 | C24 | C23 | 165.9° | 0.0° |
| O16 | C25 | C24 | H19 | 72.8° | 120.0° |
| O16 | C25 | C24 | H20 | 44.6° | 119.9° |
| O16 | C25 | O17 | H37 | 0.0° | 0.0° |
| O14 | C18 | C17 | H8 | 168.0° | 120.0° |
| O14 | C18 | C17 | H9 | 72.8° | 120.0° |
| O14 | C18 | N6 | H33 | 173.7° | 180.0° |
| C25 | C24 | C23 | H19 | 121.3° | 119.9° |
| C25 | C24 | C23 | H20 | 121.3° | 120.0° |
| C25 | C24 | C23 | C22 | 176.6° | 180.0° |
| C25 | C24 | C23 | C26 | 65.6° | 60.0° |
| C25 | C24 | C23 | O20 | 53.0° | 60.0° |
| C25 | C24 | H19 | H20 | 116.0° | 120.0° |
| C24 | C25 | O17 | H37 | 180.0° | 180.0° |
| O17 | C25 | C24 | C23 | 14.1° | 179.9° |
| O17 | C25 | C24 | H19 | 107.2° | 60.1° |
| O17 | C25 | C24 | H20 | 135.4° | 60.0° |
| C24 | C23 | C26 | O18 | 27.4° | 120.0° |
| C24 | C23 | C22 | C21 | 54.8° | 175.0° |
| C24 | C23 | C22 | C26 | 119.7° | 120.0° |
| C24 | C23 | C22 | O20 | 123.5° | 119.9° |
| C24 | C23 | C26 | O20 | 119.4° | 120.0° |
| C24 | C23 | C26 | O19 | 153.7° | 60.0° |
| C24 | C23 | C22 | H17 | 67.6° | 65.0° |
| C24 | C23 | C22 | H18 | 177.3° | 55.1° |
| C23 | C24 | H19 | H20 | 116.0° | 120.0° |
| C24 | C23 | O20 | H39 | 180.0° | 60.0° |
| S | C20 | C19 | H15 | 121.6° | 120.0° |
| S | C20 | C19 | H16 | 121.6° | 120.0° |
| C20 | S | C21 | O15 | 26.6° | 0.0° |
| C20 | S | C21 | C22 | 156.3° | 180.0° |
| S | C20 | C19 | H10 | 5.7° | 60.0° |
| S | C20 | C19 | H11 | 124.1° | 60.0° |
| S | C20 | H15 | H16 | 114.7° | 120.0° |
| C21 | S | C20 | C19 | 49.9° | 180.0° |
| S | C21 | O15 | C22 | 176.8° | 180.0° |
| S | C21 | C22 | C23 | 14.4° | 180.0° |
| C21 | S | C20 | H15 | 171.5° | 60.0° |
| C21 | S | C20 | H16 | 71.7° | 60.0° |
| S | C21 | C22 | H17 | 108.1° | 60.0° |
| S | C21 | C22 | H18 | 136.8° | 60.0° |
| C20 | C19 | H10 | H11 | 117.6° | 120.0° |
| C19 | C20 | H15 | H16 | 114.7° | 120.0° |
| C20 | C19 | N6 | H33 | 71.9° | 0.0° |
| O18 | C26 | C23 | C22 | 95.3° | 120.0° |
| O18 | C26 | C23 | O19 | 178.9° | 180.0° |
| O18 | C26 | C23 | O20 | 146.8° | 0.0° |
| O18 | C26 | O19 | H38 | 0.0° | 0.0° |
| O15 | C21 | C22 | C23 | 168.6° | 0.0° |
| O15 | C21 | C22 | H17 | 69.0° | 120.0° |
| O15 | C21 | C22 | H18 | 46.1° | 120.0° |
| C21 | C22 | C23 | H17 | 122.5° | 120.0° |
| C21 | C22 | C23 | H18 | 122.5° | 120.0° |
| C21 | C22 | C23 | C26 | 174.5° | 55.0° |
| C21 | C22 | C23 | O20 | 68.6° | 65.0° |
| C21 | C22 | H17 | H18 | 111.7° | 120.0° |
| C22 | C23 | C26 | O20 | 117.8° | 120.0° |
| C22 | C23 | C26 | O19 | 83.6° | 60.0° |
| C23 | C22 | H17 | H18 | 111.7° | 120.0° |
| C22 | C23 | C24 | H19 | 62.1° | 60.0° |
| C22 | C23 | C24 | H20 | 55.3° | 60.1° |
| C22 | C23 | O20 | H39 | 54.1° | 59.9° |
| C26 | C23 | C22 | H17 | 52.1° | 175.0° |
| C26 | C23 | C22 | H18 | 63.0° | 65.0° |
| C26 | C23 | C24 | H19 | 55.6° | 179.9° |
| C26 | C23 | C24 | H20 | 173.1° | 60.0° |
| C23 | C26 | O19 | H38 | 178.9° | 180.0° |
| C26 | C23 | O20 | H39 | 61.0° | 180.0° |
| O20 | C23 | C26 | O19 | 34.2° | 180.0° |
| O20 | C23 | C22 | H17 | 168.9° | 55.0° |
| O20 | C23 | C22 | H18 | 53.8° | 175.0° |
| O20 | C23 | C24 | H19 | 174.3° | 59.9° |
| O20 | C23 | C24 | H20 | 68.3° | 180.0° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H5 | C14 | O21 | H40 | 64.4° | 180.0° |
| H6 | C16 | C17 | H8 | 72.1° | 59.9° |
| H6 | C16 | C17 | H9 | 47.2° | 180.0° |
| H6 | C16 | N5 | H32 | 134.8° | 119.9° |
| H7 | C16 | C17 | H8 | 168.6° | 180.0° |
| H7 | C16 | C17 | H9 | 72.1° | 60.0° |
| H7 | C16 | N5 | H32 | 15.6° | 120.1° |
| H10 | C19 | C20 | H15 | 127.3° | 60.0° |
| H10 | C19 | C20 | H16 | 116.0° | 180.0° |
| H10 | C19 | N6 | H33 | 48.9° | 120.0° |
| H11 | C19 | C20 | H15 | 114.3° | 180.0° |
| H11 | C19 | C20 | H16 | 2.5° | 60.0° |
| H11 | C19 | N6 | H33 | 167.4° | 120.0° |
| H12 | C2 | H13 | H14 | 120.0° | 119.9° |
| H23 | C4 | C5 | H25 | 44.3° | 65.5° |
| H24 | C4 | C5 | H25 | 76.5° | 174.6° |
| H25 | C5 | C6 | H26 | 101.6° | 123.9° |
| H26 | C6 | C7 | H27 | 35.9° | 21.4° |
| H27 | C7 | C8 | H28 | 158.6° | 160.3° |
| H27 | C7 | O8 | H42 | 55.4° | 56.4° |
