31B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| O13 | C21 | doub | 1.21Å | 1.25Å | |
| C22 | C21 | sing | 1.48Å | 1.55Å | |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | O12 | sing | 1.35Å | 1.42Å | |
| C24 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | O12 | sing | 1.45Å | 1.45Å | |
| C20 | C19 | sing | 1.53Å | 1.49Å | |
| C19 | N6 | sing | 1.47Å | 1.45Å | |
| O11 | C18 | doub | 1.21Å | 1.21Å | |
| N6 | C18 | sing | 1.35Å | 1.47Å | |
| C18 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | N5 | sing | 1.46Å | 1.43Å | |
| O7 | C12 | sing | 1.43Å | 1.44Å | |
| N5 | C15 | sing | 1.35Å | 1.37Å | |
| O10 | C15 | doub | 1.21Å | 1.25Å | |
| C12 | C13 | sing | 1.54Å | 1.49Å | |
| C12 | C6 | sing | 1.55Å | 1.45Å | |
| C13 | O14 | sing | 1.43Å | 1.43Å | |
| C13 | C5 | sing | 1.54Å | 1.47Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| N1 | C9 | sing | 1.38Å | 1.37Å | |
| N | C7 | doub | 1.30Å | 1.33Å | Aromatic |
| N | C8 | sing | 1.35Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.44Å | |
| C5 | O8 | sing | 1.44Å | 1.48Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | O8 | sing | 1.44Å | 1.45Å | |
| C14 | O9 | sing | 1.43Å | 1.44Å | |
| C14 | C1 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | doub | 1.41Å | 1.41Å | Aromatic |
| C9 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C7 | N4 | sing | 1.36Å | 1.35Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.49Å | |
| C8 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | O6 | sing | 1.43Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.60Å | |
| N2 | C10 | doub | 1.32Å | 1.33Å | Aromatic |
| O6 | P1 | sing | 1.61Å | 1.59Å | |
| N4 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | N3 | doub | 1.33Å | 1.38Å | Aromatic |
| O4 | P1 | doub | 1.48Å | 1.50Å | |
| C3 | O | sing | 1.43Å | 1.45Å | |
| C10 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| O | P | sing | 1.61Å | 1.63Å | |
| P1 | O3 | sing | 1.61Å | 1.55Å | |
| P1 | O5 | sing | 1.61Å | 1.44Å | |
| O3 | P | sing | 1.61Å | 1.55Å | |
| P | O2 | doub | 1.48Å | 1.50Å | |
| P | O1 | sing | 1.61Å | 1.52Å | |
| C27 | H1 | sing | 1.08Å | 1.08Å | |
| C26 | H2 | sing | 1.08Å | 1.08Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| N6 | H10 | sing | 0.97Å | 1.00Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| O9 | H17 | sing | 0.97Å | 0.95Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| O1 | H26 | sing | 0.97Å | 0.95Å | |
| O5 | H27 | sing | 0.97Å | 0.95Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| C5 | H30 | sing | 1.09Å | 1.10Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| O7 | H33 | sing | 0.97Å | 0.95Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| C10 | H37 | sing | 1.08Å | 1.08Å | |
| N1 | H38 | sing | 0.97Å | 1.00Å | |
| N1 | H39 | sing | 0.97Å | 1.00Å | |
| O14 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 119.4° | 120.2° |
| C26 | C27 | C22 | 119.5° | 119.8° |
| C26 | C27 | H1 | 120.3° | 120.0° |
| C27 | C26 | H2 | 120.3° | 120.0° |
| C26 | C25 | C24 | 121.0° | 120.3° |
| C25 | C26 | H2 | 120.3° | 119.9° |
| C26 | C25 | H3 | 119.5° | 119.9° |
| C27 | C22 | C21 | 119.1° | 120.1° |
| C27 | C22 | C23 | 121.0° | 119.7° |
| C22 | C27 | H1 | 120.3° | 120.1° |
| C25 | C24 | C23 | 119.5° | 120.2° |
| C24 | C25 | H3 | 119.5° | 119.9° |
| C25 | C24 | H4 | 120.3° | 119.9° |
| O13 | C21 | C22 | 118.1° | 120.0° |
| O13 | C21 | O12 | 122.0° | 119.9° |
| C21 | C22 | C23 | 119.9° | 120.1° |
| C22 | C21 | O12 | 119.3° | 120.0° |
| C22 | C23 | C24 | 119.6° | 119.8° |
| C22 | C23 | H5 | 120.2° | 120.1° |
| C21 | O12 | C20 | 115.8° | 117.0° |
| C23 | C24 | H4 | 120.3° | 119.9° |
| C24 | C23 | H5 | 120.2° | 120.1° |
| O12 | C20 | C19 | 110.0° | 109.5° |
| O12 | C20 | H6 | 109.3° | 109.5° |
| O12 | C20 | H7 | 109.3° | 109.5° |
| C20 | C19 | N6 | 110.9° | 109.4° |
| C19 | C20 | H6 | 109.4° | 109.5° |
| C19 | C20 | H7 | 109.3° | 109.5° |
| C20 | C19 | H8 | 109.1° | 109.4° |
| C20 | C19 | H9 | 109.1° | 109.5° |
| C19 | N6 | C18 | 119.6° | 120.0° |
| N6 | C19 | H8 | 109.1° | 109.5° |
| N6 | C19 | H9 | 109.1° | 109.5° |
| C19 | N6 | H10 | 120.2° | 120.0° |
| O11 | C18 | N6 | 120.4° | 120.0° |
| O11 | C18 | C17 | 120.1° | 120.0° |
| N6 | C18 | C17 | 119.5° | 120.0° |
| C18 | N6 | H10 | 120.2° | 120.0° |
| C18 | C17 | C16 | 111.9° | 109.5° |
| C18 | C17 | H11 | 108.9° | 109.5° |
| C18 | C17 | H12 | 108.9° | 109.4° |
| C17 | C16 | N5 | 108.2° | 109.5° |
| C16 | C17 | H11 | 108.8° | 109.5° |
| C16 | C17 | H12 | 108.9° | 109.4° |
| C17 | C16 | H13 | 109.8° | 109.5° |
| C17 | C16 | H14 | 109.8° | 109.5° |
| C16 | N5 | C15 | 119.2° | 120.0° |
| N5 | C16 | H13 | 109.8° | 109.5° |
| N5 | C16 | H14 | 109.8° | 109.5° |
| C16 | N5 | H15 | 120.4° | 120.0° |
| O7 | C12 | C13 | 116.3° | 110.5° |
| O7 | C12 | C6 | 118.5° | 110.5° |
| O7 | C12 | H32 | 105.9° | 110.6° |
| C12 | O7 | H33 | 109.5° | 114.0° |
| N5 | C15 | O10 | 119.0° | 120.0° |
| N5 | C15 | C14 | 119.6° | 120.0° |
| C15 | N5 | H15 | 120.3° | 120.0° |
| O10 | C15 | C14 | 121.4° | 120.0° |
| C13 | C12 | C6 | 103.9° | 104.1° |
| C12 | C13 | O14 | 114.2° | 110.5° |
| C12 | C13 | C5 | 101.1° | 104.1° |
| C12 | C13 | H31 | 110.1° | 110.6° |
| C13 | C12 | H32 | 105.3° | 110.5° |
| C12 | C6 | C7 | 111.9° | 110.4° |
| C12 | C6 | O8 | 104.2° | 104.8° |
| C6 | C12 | H32 | 105.7° | 110.5° |
| C12 | C6 | H34 | 110.9° | 110.4° |
| O14 | C13 | C5 | 109.4° | 110.5° |
| O14 | C13 | H31 | 111.1° | 110.4° |
| C13 | O14 | H40 | 109.5° | 114.0° |
| C13 | C5 | C4 | 107.6° | 110.4° |
| C13 | C5 | O8 | 106.2° | 104.8° |
| C13 | C5 | H30 | 111.4° | 110.5° |
| C5 | C13 | H31 | 110.5° | 110.5° |
| C15 | C14 | O9 | 110.4° | 109.4° |
| C15 | C14 | C1 | 111.3° | 109.5° |
| C15 | C14 | H16 | 108.5° | 109.5° |
| N1 | C9 | C8 | 120.0° | 120.8° |
| N1 | C9 | N2 | 120.8° | 120.8° |
| C9 | N1 | H38 | 109.5° | 120.0° |
| C9 | N1 | H39 | 109.5° | 120.0° |
| C7 | N | C8 | 109.3° | 109.4° |
| N | C7 | C6 | 124.6° | 125.0° |
| N | C7 | N4 | 110.0° | 110.0° |
| N | C8 | C9 | 135.0° | 134.7° |
| N | C8 | C11 | 105.9° | 107.2° |
| C4 | C5 | O8 | 108.5° | 110.4° |
| C5 | C4 | O6 | 105.0° | 109.5° |
| C5 | C4 | H28 | 110.6° | 109.5° |
| C5 | C4 | H29 | 110.6° | 109.4° |
| C4 | C5 | H30 | 111.7° | 110.3° |
| C5 | O8 | C6 | 106.8° | 105.3° |
| O8 | C5 | H30 | 111.1° | 110.4° |
| C7 | C6 | O8 | 108.7° | 110.4° |
| C6 | C7 | N4 | 125.4° | 125.0° |
| C7 | C6 | H34 | 110.0° | 110.3° |
| O8 | C6 | H34 | 110.9° | 110.4° |
| O9 | C14 | C1 | 108.5° | 109.5° |
| O9 | C14 | H16 | 109.8° | 109.5° |
| C14 | O9 | H17 | 109.5° | 114.0° |
| C14 | C1 | C | 110.6° | 109.5° |
| C14 | C1 | C2 | 110.6° | 109.5° |
| C14 | C1 | C3 | 107.2° | 109.5° |
| C1 | C14 | H16 | 108.4° | 109.5° |
| C8 | C9 | N2 | 119.2° | 118.4° |
| C9 | C8 | C11 | 119.1° | 118.2° |
| C9 | N2 | C10 | 120.2° | 121.2° |
| C7 | N4 | C11 | 107.2° | 107.5° |
| C7 | N4 | H35 | 126.4° | 126.3° |
| C | C1 | C2 | 108.5° | 109.5° |
| C | C1 | C3 | 109.9° | 109.4° |
| C1 | C | H18 | 109.5° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | C | H20 | 109.5° | 109.5° |
| C8 | C11 | N4 | 107.7° | 106.0° |
| C8 | C11 | N3 | 117.3° | 119.1° |
| C4 | O6 | P1 | 116.3° | 123.0° |
| O6 | C4 | H28 | 110.6° | 109.5° |
| O6 | C4 | H29 | 110.5° | 109.5° |
| C2 | C1 | C3 | 110.0° | 109.5° |
| C1 | C2 | H21 | 109.5° | 109.4° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| C1 | C2 | H23 | 109.5° | 109.4° |
| C1 | C3 | O | 105.6° | 109.5° |
| C1 | C3 | H24 | 110.4° | 109.4° |
| C1 | C3 | H25 | 110.5° | 109.4° |
| N2 | C10 | N3 | 122.8° | 122.4° |
| N2 | C10 | H37 | 118.6° | 118.8° |
| O6 | P1 | O4 | 109.0° | 109.5° |
| O6 | P1 | O3 | 104.0° | 109.5° |
| O6 | P1 | O5 | 110.1° | 109.5° |
| N4 | C11 | N3 | 135.0° | 135.0° |
| C11 | N4 | H35 | 126.4° | 126.2° |
| C11 | N3 | C10 | 121.5° | 120.7° |
| O4 | P1 | O3 | 111.3° | 109.4° |
| O4 | P1 | O5 | 110.4° | 109.4° |
| C3 | O | P | 122.8° | 123.0° |
| O | C3 | H24 | 110.4° | 109.5° |
| O | C3 | H25 | 110.4° | 109.5° |
| N3 | C10 | H37 | 118.6° | 118.8° |
| O | P | O3 | 107.2° | 109.5° |
| O | P | O2 | 112.5° | 109.5° |
| O | P | O1 | 110.6° | 109.5° |
| O3 | P1 | O5 | 111.9° | 109.5° |
| P1 | O3 | P | 127.9° | 134.0° |
| P1 | O5 | H27 | 109.5° | 113.9° |
| O3 | P | O2 | 105.7° | 109.5° |
| O3 | P | O1 | 112.4° | 109.5° |
| O2 | P | O1 | 108.5° | 109.5° |
| P | O1 | H26 | 109.5° | 114.0° |
| H6 | C20 | H7 | 109.5° | 109.4° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H18 | C | H19 | 109.5° | 109.5° |
| H18 | C | H20 | 109.5° | 109.4° |
| H19 | C | H20 | 109.4° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H21 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| H24 | C3 | H25 | 109.5° | 109.5° |
| H28 | C4 | H29 | 109.5° | 109.4° |
| H38 | N1 | H39 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | H2 | 180.0° | 180.0° |
| C26 | C27 | C22 | H1 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.3° | 0.0° |
| C26 | C27 | C22 | C21 | 179.5° | 180.0° |
| C26 | C27 | C22 | C23 | 0.8° | 0.3° |
| C27 | C26 | C25 | H3 | 179.7° | 180.0° |
| C25 | C26 | C27 | C22 | 0.7° | 0.0° |
| C26 | C25 | C24 | H3 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.3° |
| C25 | C26 | C27 | H1 | 179.3° | 179.9° |
| C26 | C25 | C24 | H4 | 179.9° | 180.0° |
| C27 | C22 | C21 | O13 | 9.8° | 179.7° |
| C27 | C22 | C21 | C23 | 179.7° | 179.7° |
| C27 | C22 | C21 | O12 | 179.0° | 0.5° |
| C27 | C22 | C23 | C24 | 0.4° | 0.5° |
| C22 | C27 | C26 | H2 | 179.2° | 180.0° |
| C27 | C22 | C23 | H5 | 179.6° | 179.7° |
| C25 | C24 | C23 | C22 | 0.0° | 0.5° |
| C25 | C24 | C23 | H4 | 180.0° | 179.7° |
| C24 | C25 | C26 | H2 | 179.7° | 180.0° |
| C25 | C24 | C23 | H5 | 180.0° | 179.7° |
| O13 | C21 | C22 | O12 | 171.2° | 179.7° |
| O13 | C21 | C22 | C23 | 169.9° | 0.0° |
| O13 | C21 | O12 | C20 | 34.3° | 0.0° |
| C21 | C22 | C23 | C24 | 179.9° | 179.7° |
| C22 | C21 | O12 | C20 | 154.9° | 179.7° |
| C21 | C22 | C27 | H1 | 0.4° | 0.1° |
| C21 | C22 | C23 | H5 | 0.1° | 0.0° |
| C23 | C22 | C21 | O12 | 1.3° | 179.7° |
| C22 | C23 | C24 | H5 | 180.0° | 179.8° |
| C23 | C22 | C27 | H1 | 179.2° | 179.8° |
| C22 | C23 | C24 | H4 | 180.0° | 179.7° |
| C21 | O12 | C20 | C19 | 91.0° | 180.0° |
| C21 | O12 | C20 | H6 | 29.1° | 60.0° |
| C21 | O12 | C20 | H7 | 148.9° | 60.0° |
| C23 | C24 | C25 | H3 | 179.9° | 179.7° |
| O12 | C20 | C19 | H6 | 120.1° | 120.0° |
| O12 | C20 | C19 | H7 | 120.1° | 120.0° |
| O12 | C20 | C19 | N6 | 84.8° | 65.0° |
| O12 | C20 | H6 | H7 | 119.7° | 120.0° |
| O12 | C20 | C19 | H8 | 35.4° | 175.0° |
| O12 | C20 | C19 | H9 | 155.0° | 55.0° |
| C20 | C19 | N6 | H8 | 120.2° | 120.0° |
| C20 | C19 | N6 | H9 | 120.2° | 120.0° |
| C20 | C19 | N6 | C18 | 69.5° | 180.0° |
| C19 | C20 | H6 | H7 | 119.7° | 120.0° |
| C20 | C19 | H8 | H9 | 119.3° | 120.0° |
| C20 | C19 | N6 | H10 | 110.5° | 0.0° |
| C19 | N6 | C18 | O11 | 1.0° | 0.1° |
| C19 | N6 | C18 | H10 | 180.0° | 180.0° |
| C19 | N6 | C18 | C17 | 179.3° | 180.0° |
| N6 | C19 | C20 | H6 | 155.1° | 55.0° |
| N6 | C19 | C20 | H7 | 35.3° | 175.0° |
| N6 | C19 | H8 | H9 | 119.3° | 120.0° |
| O11 | C18 | N6 | C17 | 179.6° | 179.9° |
| O11 | C18 | C17 | C16 | 34.5° | 0.1° |
| O11 | C18 | N6 | H10 | 179.0° | 180.0° |
| O11 | C18 | C17 | H11 | 85.9° | 120.0° |
| O11 | C18 | C17 | H12 | 154.8° | 120.0° |
| N6 | C18 | C17 | C16 | 145.2° | 180.0° |
| C18 | N6 | C19 | H8 | 170.3° | 60.0° |
| C18 | N6 | C19 | H9 | 50.7° | 60.1° |
| N6 | C18 | C17 | H11 | 94.5° | 59.9° |
| N6 | C18 | C17 | H12 | 24.8° | 60.1° |
| C18 | C17 | C16 | H11 | 120.4° | 120.1° |
| C18 | C17 | C16 | H12 | 120.4° | 119.9° |
| C18 | C17 | C16 | N5 | 162.6° | 180.0° |
| C17 | C18 | N6 | H10 | 0.7° | 0.1° |
| C18 | C17 | H11 | H12 | 118.9° | 120.0° |
| C18 | C17 | C16 | H13 | 42.8° | 59.9° |
| C18 | C17 | C16 | H14 | 77.6° | 60.0° |
| C17 | C16 | N5 | H13 | 119.8° | 120.0° |
| C17 | C16 | N5 | H14 | 119.8° | 120.0° |
| C17 | C16 | N5 | C15 | 88.6° | 180.0° |
| C16 | C17 | H11 | H12 | 118.9° | 120.0° |
| C17 | C16 | H13 | H14 | 120.6° | 120.0° |
| C17 | C16 | N5 | H15 | 91.4° | 0.0° |
| C16 | N5 | C15 | H15 | 180.0° | 180.0° |
| C16 | N5 | C15 | O10 | 0.7° | 5.2° |
| C16 | N5 | C15 | C14 | 179.8° | 174.9° |
| N5 | C16 | C17 | H11 | 77.1° | 60.0° |
| N5 | C16 | C17 | H12 | 42.2° | 60.0° |
| N5 | C16 | H13 | H14 | 120.6° | 120.0° |
| O7 | C12 | C13 | C6 | 132.1° | 118.7° |
| O7 | C12 | C13 | H32 | 116.9° | 122.7° |
| O7 | C12 | C6 | H32 | 118.5° | 122.7° |
| O7 | C12 | C13 | O14 | 56.9° | 0.0° |
| O7 | C12 | C13 | C5 | 174.2° | 118.6° |
| O7 | C12 | C6 | C7 | 51.1° | 24.1° |
| O7 | C12 | C6 | O8 | 168.4° | 94.7° |
| O7 | C12 | C13 | H31 | 68.9° | 122.7° |
| O7 | C12 | C6 | H34 | 72.2° | 146.4° |
| N5 | C15 | O10 | C14 | 179.4° | 180.0° |
| N5 | C15 | C14 | O9 | 26.2° | 11.8° |
| N5 | C15 | C14 | C1 | 94.3° | 108.2° |
| C15 | N5 | C16 | H13 | 151.6° | 60.0° |
| C15 | N5 | C16 | H14 | 31.2° | 60.0° |
| N5 | C15 | C14 | H16 | 146.5° | 131.7° |
| O10 | C15 | C14 | O9 | 153.2° | 168.2° |
| O10 | C15 | C14 | C1 | 86.3° | 71.8° |
| O10 | C15 | N5 | H15 | 179.3° | 174.9° |
| O10 | C15 | C14 | H16 | 32.9° | 48.3° |
| C13 | C12 | C6 | H32 | 110.7° | 118.7° |
| C12 | C13 | O14 | C5 | 112.4° | 114.7° |
| C12 | C13 | O14 | H31 | 125.3° | 122.7° |
| C12 | C13 | C5 | H31 | 116.6° | 118.8° |
| C12 | C13 | C5 | C4 | 146.4° | 142.8° |
| C12 | C13 | C5 | O8 | 30.4° | 24.0° |
| C13 | C12 | C6 | C7 | 79.7° | 142.8° |
| C13 | C12 | C6 | O8 | 37.6° | 24.0° |
| C12 | C13 | C5 | H30 | 90.8° | 94.9° |
| C13 | C12 | O7 | H33 | 180.0° | 61.5° |
| C13 | C12 | C6 | H34 | 157.0° | 94.9° |
| C12 | C13 | O14 | H40 | 180.0° | 65.3° |
| C6 | C12 | C13 | O14 | 75.2° | 118.7° |
| C6 | C12 | C13 | C5 | 42.1° | 0.0° |
| C12 | C6 | C7 | N | 12.5° | 55.3° |
| C12 | C6 | O8 | C5 | 18.1° | 40.5° |
| C12 | C6 | C7 | O8 | 114.6° | 115.3° |
| C12 | C6 | C7 | H34 | 123.8° | 122.3° |
| C12 | C6 | O8 | H34 | 119.4° | 118.9° |
| C12 | C6 | C7 | N4 | 166.7° | 124.9° |
| C6 | C12 | C13 | H31 | 159.0° | 118.7° |
| C6 | C12 | O7 | H33 | 55.0° | 176.1° |
| O14 | C13 | C5 | H31 | 122.6° | 122.6° |
| O14 | C13 | C5 | C4 | 25.7° | 24.1° |
| O14 | C13 | C5 | O8 | 90.4° | 94.7° |
| O14 | C13 | C5 | H30 | 148.5° | 146.4° |
| O14 | C13 | C12 | H32 | 173.8° | 122.7° |
| C13 | C5 | C4 | O8 | 114.5° | 115.4° |
| C13 | C5 | C4 | H30 | 122.6° | 122.4° |
| C13 | C5 | O8 | H30 | 121.4° | 118.9° |
| C13 | C5 | O8 | C6 | 8.3° | 40.5° |
| C13 | C5 | C4 | O6 | 101.8° | 178.2° |
| C13 | C5 | C4 | H28 | 17.5° | 61.8° |
| C13 | C5 | C4 | H29 | 139.0° | 58.1° |
| C5 | C13 | C12 | H32 | 68.9° | 118.6° |
| C5 | C13 | O14 | H40 | 67.6° | 180.0° |
| C15 | C14 | O9 | C1 | 122.1° | 120.0° |
| C15 | C14 | O9 | H16 | 119.6° | 120.0° |
| C15 | C14 | C1 | H16 | 119.3° | 120.0° |
| C15 | C14 | C1 | C | 59.7° | 66.0° |
| C15 | C14 | C1 | C2 | 60.5° | 54.0° |
| C15 | C14 | C1 | C3 | 179.5° | 174.0° |
| C14 | C15 | N5 | H15 | 0.2° | 5.1° |
| C15 | C14 | O9 | H17 | 180.0° | 60.0° |
| N1 | C9 | C8 | N | 0.1° | 0.4° |
| N1 | C9 | C8 | N2 | 179.8° | 179.9° |
| N1 | C9 | C8 | C11 | 179.9° | 180.0° |
| N1 | C9 | N2 | C10 | 179.9° | 180.0° |
| C9 | N1 | H38 | H39 | 120.0° | 179.9° |
| N | C7 | C6 | N4 | 179.3° | 179.8° |
| N | C7 | C6 | O8 | 127.1° | 170.7° |
| C7 | N | C8 | C9 | 179.7° | 180.0° |
| C7 | N | C8 | C11 | 0.1° | 0.4° |
| N | C7 | N4 | C11 | 0.3° | 0.2° |
| N | C7 | C6 | H34 | 111.3° | 67.0° |
| N | C7 | N4 | H35 | 179.7° | 179.7° |
| C8 | N | C7 | C6 | 179.7° | 179.9° |
| N | C8 | C9 | C11 | 179.7° | 179.6° |
| N | C8 | C9 | N2 | 179.7° | 179.7° |
| C8 | N | C7 | N4 | 0.3° | 0.4° |
| N | C8 | C11 | N4 | 0.1° | 0.3° |
| N | C8 | C11 | N3 | 179.8° | 179.8° |
| C4 | C5 | O8 | H30 | 123.2° | 122.2° |
| C4 | C5 | O8 | C6 | 123.7° | 159.4° |
| C5 | C4 | O6 | H28 | 119.3° | 120.0° |
| C5 | C4 | O6 | H29 | 119.3° | 120.0° |
| C5 | C4 | O6 | P1 | 171.8° | 180.0° |
| C5 | C4 | H28 | H29 | 122.1° | 119.9° |
| C4 | C5 | C13 | H31 | 97.0° | 98.4° |
| C5 | O8 | C6 | C7 | 101.3° | 159.3° |
| O8 | C5 | C4 | O6 | 12.8° | 66.5° |
| O8 | C5 | C4 | H28 | 132.0° | 53.6° |
| O8 | C5 | C4 | H29 | 106.5° | 173.5° |
| O8 | C5 | C13 | H31 | 147.0° | 142.7° |
| C5 | O8 | C6 | H34 | 137.6° | 78.4° |
| C7 | C6 | O8 | H34 | 121.1° | 122.3° |
| C6 | C7 | N4 | C11 | 179.7° | 180.0° |
| C7 | C6 | C12 | H32 | 169.6° | 98.5° |
| C6 | C7 | N4 | H35 | 0.3° | 0.1° |
| O8 | C6 | C7 | N4 | 52.2° | 9.6° |
| C6 | O8 | C5 | H30 | 113.0° | 78.4° |
| O8 | C6 | C12 | H32 | 73.1° | 142.7° |
| O9 | C14 | C1 | H16 | 119.2° | 120.0° |
| O9 | C14 | C1 | C | 178.7° | 174.0° |
| O9 | C14 | C1 | C2 | 61.1° | 65.9° |
| O9 | C14 | C1 | C3 | 58.9° | 54.1° |
| C14 | C1 | C | C2 | 121.5° | 120.0° |
| C14 | C1 | C | C3 | 118.1° | 120.0° |
| C14 | C1 | C2 | C3 | 118.3° | 120.0° |
| C14 | C1 | C3 | O | 55.9° | 180.0° |
| C1 | C14 | O9 | H17 | 57.9° | 59.9° |
| C14 | C1 | C | H18 | 180.0° | 64.4° |
| C14 | C1 | C | H19 | 60.0° | 175.6° |
| C14 | C1 | C | H20 | 60.0° | 55.6° |
| C14 | C1 | C2 | H21 | 180.0° | 60.0° |
| C14 | C1 | C2 | H22 | 60.0° | 180.0° |
| C14 | C1 | C2 | H23 | 60.0° | 60.0° |
| C14 | C1 | C3 | H24 | 175.3° | 60.0° |
| C14 | C1 | C3 | H25 | 63.4° | 60.0° |
| C8 | C9 | N2 | C10 | 0.1° | 0.1° |
| C9 | C8 | C11 | N4 | 179.9° | 180.0° |
| C9 | C8 | C11 | N3 | 0.0° | 0.1° |
| C8 | C9 | N1 | H38 | 179.9° | 0.1° |
| C8 | C9 | N1 | H39 | 59.8° | 180.0° |
| N2 | C9 | C8 | C11 | 0.0° | 0.1° |
| C9 | N2 | C10 | N3 | 0.1° | 0.0° |
| C9 | N2 | C10 | H37 | 179.9° | 179.9° |
| N2 | C9 | N1 | H38 | 0.0° | 180.0° |
| N2 | C9 | N1 | H39 | 120.0° | 0.1° |
| C7 | N4 | C11 | C8 | 0.2° | 0.1° |
| C7 | N4 | C11 | H35 | 180.0° | 179.9° |
| C7 | N4 | C11 | N3 | 179.6° | 180.0° |
| N4 | C7 | C6 | H34 | 69.4° | 112.8° |
| C | C1 | C2 | C3 | 120.2° | 119.9° |
| C | C1 | C3 | O | 64.3° | 60.0° |
| C | C1 | C14 | H16 | 59.5° | 54.0° |
| C1 | C | H18 | H19 | 120.0° | 120.0° |
| C1 | C | H18 | H20 | 120.0° | 120.0° |
| C1 | C | H19 | H20 | 120.0° | 120.1° |
| C | C1 | C2 | H21 | 58.5° | 180.0° |
| C | C1 | C2 | H22 | 61.5° | 60.0° |
| C | C1 | C2 | H23 | 178.5° | 60.0° |
| C | C1 | C3 | H24 | 55.1° | 180.0° |
| C | C1 | C3 | H25 | 176.3° | 60.0° |
| C8 | C11 | N4 | N3 | 179.9° | 179.9° |
| C8 | C11 | N3 | C10 | 0.0° | 0.0° |
| C8 | C11 | N4 | H35 | 179.8° | 180.0° |
| C4 | O6 | P1 | O4 | 76.4° | 55.0° |
| C4 | O6 | P1 | O3 | 42.4° | 175.0° |
| C4 | O6 | P1 | O5 | 162.4° | 65.0° |
| O6 | C4 | H28 | H29 | 122.1° | 120.0° |
| O6 | C4 | C5 | H30 | 135.6° | 55.8° |
| C2 | C1 | C3 | O | 176.3° | 60.0° |
| C2 | C1 | C14 | H16 | 179.8° | 174.0° |
| C2 | C1 | C | H18 | 58.4° | 55.6° |
| C2 | C1 | C | H19 | 178.5° | 64.4° |
| C2 | C1 | C | H20 | 61.6° | 175.6° |
| C1 | C2 | H21 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H23 | 120.0° | 119.9° |
| C1 | C2 | H22 | H23 | 120.0° | 120.0° |
| C2 | C1 | C3 | H24 | 64.3° | 60.0° |
| C2 | C1 | C3 | H25 | 56.9° | 180.0° |
| C1 | C3 | O | H24 | 119.4° | 119.9° |
| C1 | C3 | O | H25 | 119.4° | 120.0° |
| C1 | C3 | O | P | 141.0° | 180.0° |
| C3 | C1 | C14 | H16 | 60.2° | 65.9° |
| C3 | C1 | C | H18 | 61.9° | 175.6° |
| C3 | C1 | C | H19 | 58.2° | 55.6° |
| C3 | C1 | C | H20 | 178.1° | 64.4° |
| C3 | C1 | C2 | H21 | 61.7° | 60.0° |
| C3 | C1 | C2 | H22 | 178.3° | 60.0° |
| C3 | C1 | C2 | H23 | 58.3° | 180.0° |
| C1 | C3 | H24 | H25 | 121.8° | 119.9° |
| N2 | C10 | N3 | C11 | 0.0° | 0.0° |
| N2 | C10 | N3 | H37 | 180.0° | 179.9° |
| O6 | P1 | O4 | O3 | 114.1° | 120.0° |
| O6 | P1 | O4 | O5 | 121.0° | 120.0° |
| O6 | P1 | O3 | O5 | 118.8° | 120.1° |
| O6 | P1 | O3 | P | 171.6° | 160.0° |
| O6 | P1 | O5 | H27 | 120.4° | 60.0° |
| P1 | O6 | C4 | H28 | 68.9° | 60.0° |
| P1 | O6 | C4 | H29 | 52.6° | 60.0° |
| N4 | C11 | N3 | C10 | 179.8° | 179.9° |
| N3 | C11 | N4 | H35 | 0.3° | 0.1° |
| C11 | N3 | C10 | H37 | 180.0° | 180.0° |
| O4 | P1 | O3 | O5 | 124.0° | 119.9° |
| O4 | P1 | O3 | P | 54.4° | 40.0° |
| O4 | P1 | O5 | H27 | 0.0° | 180.0° |
| C3 | O | P | O3 | 123.2° | 175.0° |
| C3 | O | P | O2 | 7.5° | 55.0° |
| C3 | O | P | O1 | 114.0° | 65.0° |
| O | C3 | H24 | H25 | 121.8° | 120.1° |
| O | P | O3 | P1 | 96.0° | 160.0° |
| O | P | O3 | O2 | 120.2° | 120.0° |
| O | P | O3 | O1 | 121.7° | 120.0° |
| O | P | O2 | O1 | 122.7° | 120.0° |
| P | O | C3 | H24 | 99.6° | 60.1° |
| P | O | C3 | H25 | 21.6° | 60.0° |
| O | P | O1 | H26 | 123.8° | 60.0° |
| P1 | O3 | P | O2 | 143.8° | 40.0° |
| P1 | O3 | P | O1 | 25.6° | 80.0° |
| O3 | P1 | O5 | H27 | 124.5° | 60.1° |
| O5 | P1 | O3 | P | 69.6° | 80.0° |
| O3 | P | O2 | O1 | 120.7° | 120.0° |
| O3 | P | O1 | H26 | 116.5° | 60.0° |
| O2 | P | O1 | H26 | 0.0° | 180.0° |
| H1 | C27 | C26 | H2 | 0.7° | 0.0° |
| H2 | C26 | C25 | H3 | 0.3° | 0.0° |
| H3 | C25 | C24 | H4 | 0.1° | 0.0° |
| H4 | C24 | C23 | H5 | 0.0° | 0.1° |
| H6 | C20 | C19 | H8 | 84.7° | 65.0° |
| H6 | C20 | C19 | H9 | 34.9° | 175.0° |
| H7 | C20 | C19 | H8 | 155.5° | 55.0° |
| H7 | C20 | C19 | H9 | 84.9° | 65.0° |
| H8 | C19 | N6 | H10 | 9.7° | 120.0° |
| H9 | C19 | N6 | H10 | 129.3° | 120.0° |
| H11 | C17 | C16 | H13 | 163.1° | 180.0° |
| H11 | C17 | C16 | H14 | 42.7° | 60.0° |
| H12 | C17 | C16 | H13 | 77.6° | 60.0° |
| H12 | C17 | C16 | H14 | 162.0° | 180.0° |
| H13 | C16 | N5 | H15 | 28.4° | 120.0° |
| H14 | C16 | N5 | H15 | 148.8° | 120.0° |
| H16 | C14 | O9 | H17 | 60.4° | 180.0° |
| H18 | C | H19 | H20 | 120.0° | 119.9° |
| H21 | C2 | H22 | H23 | 120.0° | 120.1° |
| H28 | C4 | C5 | H30 | 105.1° | 175.8° |
| H29 | C4 | C5 | H30 | 16.4° | 64.2° |
| H30 | C5 | C13 | H31 | 25.8° | 23.9° |
| H31 | C13 | C12 | H32 | 48.0° | 0.1° |
| H31 | C13 | O14 | H40 | 54.7° | 57.4° |
| H32 | C12 | O7 | H33 | 63.4° | 61.2° |
| H32 | C12 | C6 | H34 | 46.3° | 23.7° |
