F4M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | P | doub | 1.48Å | 1.48Å | |
| O11 | C30 | doub | 1.21Å | 1.25Å | |
| O9 | C29 | doub | 1.21Å | 1.25Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.55Å | |
| C29 | O8 | sing | 1.34Å | 1.26Å | |
| C30 | C26 | sing | 1.51Å | 1.52Å | |
| C30 | O10 | sing | 1.34Å | 1.27Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | O7 | sing | 1.43Å | 1.43Å | |
| P | O6 | sing | 1.61Å | 1.47Å | |
| P | O7 | sing | 1.61Å | 1.63Å | |
| P | O4 | sing | 1.61Å | 1.67Å | |
| O4 | C25 | sing | 1.43Å | 1.45Å | |
| O13 | C22 | sing | 1.43Å | 1.42Å | |
| C23 | O12 | sing | 1.43Å | 1.41Å | |
| C23 | C22 | sing | 1.55Å | 1.51Å | |
| C23 | C24 | sing | 1.55Å | 1.50Å | |
| C22 | C21 | sing | 1.54Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | O3 | sing | 1.44Å | 1.41Å | |
| C31 | C4 | sing | 1.53Å | 1.56Å | |
| C21 | O3 | sing | 1.43Å | 1.46Å | |
| C21 | O2 | sing | 1.43Å | 1.50Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C10 | sing | 1.40Å | 1.38Å | |
| N1 | C4 | sing | 1.46Å | 1.48Å | |
| O15 | C18 | sing | 1.43Å | 1.44Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.60Å | |
| O2 | C20 | sing | 1.43Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| O96 | C5 | doub | 1.21Å | 1.20Å | |
| C13 | C16 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | N2 | sing | 1.35Å | 1.37Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.80Å | |
| O14 | C19 | sing | 1.43Å | 1.44Å | |
| C3 | N2 | sing | 1.47Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N2 | C6 | sing | 1.41Å | 1.44Å | |
| C17 | O16 | sing | 1.43Å | 1.43Å | |
| C2 | N3 | sing | 1.47Å | 1.47Å | |
| O1 | C9 | doub | 1.22Å | 1.22Å | |
| C6 | C9 | sing | 1.41Å | 1.49Å | |
| C6 | C7 | doub | 1.37Å | 1.46Å | |
| C9 | N5 | sing | 1.34Å | 1.37Å | |
| N3 | C7 | sing | 1.38Å | 1.36Å | |
| C7 | N4 | sing | 1.37Å | 1.35Å | |
| N5 | C8 | doub | 1.32Å | 1.35Å | |
| N4 | C8 | sing | 1.36Å | 1.34Å | |
| C8 | N6 | sing | 1.37Å | 1.37Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | H4 | sing | 0.97Å | 1.00Å | |
| N6 | H5 | sing | 0.97Å | 1.00Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| O15 | H22 | sing | 0.97Å | 0.95Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| O14 | H24 | sing | 0.97Å | 0.95Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| O13 | H29 | sing | 0.97Å | 0.95Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| O12 | H31 | sing | 0.97Å | 0.95Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| O6 | H35 | sing | 0.97Å | 0.95Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| O10 | H37 | sing | 0.97Å | 0.95Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| O8 | H42 | sing | 0.97Å | 0.95Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C16 | H44 | sing | 1.09Å | 1.10Å | |
| O16 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | P | O6 | 109.4° | 109.5° |
| O5 | P | O7 | 111.0° | 109.5° |
| O5 | P | O4 | 108.7° | 109.5° |
| O11 | C30 | C26 | 117.7° | 120.0° |
| O11 | C30 | O10 | 121.5° | 120.0° |
| O9 | C29 | C28 | 117.8° | 120.0° |
| O9 | C29 | O8 | 119.6° | 120.0° |
| C29 | C28 | C27 | 119.4° | 109.4° |
| C28 | C29 | O8 | 122.6° | 120.0° |
| C29 | C28 | H40 | 106.9° | 109.5° |
| C29 | C28 | H41 | 106.9° | 109.5° |
| C28 | C27 | C26 | 114.5° | 109.4° |
| C28 | C27 | H38 | 108.2° | 109.5° |
| C28 | C27 | H39 | 108.2° | 109.5° |
| C27 | C28 | H40 | 106.9° | 109.5° |
| C27 | C28 | H41 | 106.9° | 109.5° |
| C29 | O8 | H42 | 109.5° | 117.0° |
| C26 | C30 | O10 | 120.7° | 120.0° |
| C30 | C26 | C27 | 114.7° | 109.4° |
| C30 | C26 | O7 | 112.6° | 109.5° |
| C30 | C26 | H36 | 105.9° | 109.5° |
| C30 | O10 | H37 | 109.5° | 117.0° |
| C27 | C26 | O7 | 110.4° | 109.5° |
| C27 | C26 | H36 | 105.7° | 109.4° |
| C26 | C27 | H38 | 108.2° | 109.5° |
| C26 | C27 | H39 | 108.2° | 109.4° |
| C26 | O7 | P | 123.0° | 123.0° |
| O7 | C26 | H36 | 106.9° | 109.5° |
| O6 | P | O7 | 102.7° | 109.4° |
| O6 | P | O4 | 114.5° | 109.5° |
| P | O6 | H35 | 109.5° | 114.0° |
| O7 | P | O4 | 110.3° | 109.5° |
| P | O4 | C25 | 139.7° | 123.0° |
| O4 | C25 | C24 | 114.1° | 109.4° |
| O4 | C25 | H33 | 108.3° | 109.4° |
| O4 | C25 | H34 | 108.3° | 109.5° |
| O13 | C22 | C23 | 111.9° | 111.0° |
| O13 | C22 | C21 | 111.3° | 110.8° |
| O13 | C22 | H28 | 110.5° | 110.8° |
| C22 | O13 | H29 | 109.5° | 114.0° |
| O12 | C23 | C22 | 109.0° | 111.1° |
| O12 | C23 | C24 | 101.6° | 111.1° |
| O12 | C23 | H30 | 114.4° | 111.0° |
| C23 | O12 | H31 | 109.5° | 114.0° |
| C22 | C23 | C24 | 105.9° | 100.9° |
| C23 | C22 | C21 | 104.8° | 102.3° |
| C23 | C22 | H28 | 109.2° | 110.9° |
| C22 | C23 | H30 | 112.5° | 111.1° |
| C23 | C24 | C25 | 116.7° | 110.2° |
| C23 | C24 | O3 | 104.5° | 105.1° |
| C24 | C23 | H30 | 112.7° | 111.2° |
| C23 | C24 | H32 | 105.6° | 110.3° |
| C22 | C21 | O3 | 104.6° | 107.6° |
| C22 | C21 | O2 | 121.0° | 109.8° |
| C22 | C21 | H27 | 102.1° | 109.9° |
| C21 | C22 | H28 | 108.9° | 110.9° |
| C25 | C24 | O3 | 117.1° | 110.3° |
| C25 | C24 | H32 | 105.4° | 110.4° |
| C24 | C25 | H33 | 108.3° | 109.5° |
| C24 | C25 | H34 | 108.3° | 109.5° |
| C24 | O3 | C21 | 109.7° | 110.0° |
| O3 | C24 | H32 | 106.7° | 110.3° |
| C31 | C4 | N1 | 108.7° | 109.5° |
| C31 | C4 | C3 | 114.0° | 109.5° |
| C31 | C4 | H10 | 104.5° | 109.4° |
| C4 | C31 | H11 | 109.5° | 109.5° |
| C4 | C31 | H12 | 109.5° | 109.5° |
| C4 | C31 | H13 | 109.4° | 109.5° |
| O3 | C21 | O2 | 120.7° | 109.8° |
| O3 | C21 | H27 | 102.7° | 109.8° |
| C21 | O2 | C20 | 125.0° | 114.0° |
| O2 | C21 | H27 | 102.4° | 109.8° |
| C12 | C11 | C10 | 122.8° | 119.9° |
| C11 | C12 | C13 | 119.6° | 120.1° |
| C12 | C11 | H15 | 118.6° | 120.1° |
| C11 | C12 | H16 | 120.2° | 120.0° |
| C11 | C10 | N1 | 118.6° | 120.0° |
| C11 | C10 | C15 | 116.9° | 119.9° |
| C10 | C11 | H15 | 118.6° | 120.0° |
| C10 | N1 | C4 | 130.0° | 120.0° |
| N1 | C10 | C15 | 124.4° | 120.1° |
| C10 | N1 | H14 | 104.1° | 120.0° |
| N1 | C4 | C3 | 118.7° | 109.5° |
| N1 | C4 | H10 | 105.3° | 109.5° |
| C4 | N1 | H14 | 104.2° | 120.0° |
| O15 | C18 | C19 | 110.1° | 109.5° |
| O15 | C18 | C17 | 109.9° | 109.5° |
| O15 | C18 | H21 | 105.5° | 109.5° |
| C18 | O15 | H22 | 109.5° | 114.0° |
| C12 | C13 | C16 | 120.4° | 119.9° |
| C12 | C13 | C14 | 119.0° | 120.2° |
| C13 | C12 | H16 | 120.2° | 120.0° |
| C10 | C15 | C14 | 121.3° | 119.9° |
| C10 | C15 | H17 | 119.3° | 120.0° |
| C4 | C3 | N2 | 119.2° | 109.8° |
| C4 | C3 | C2 | 105.6° | 109.6° |
| C3 | C4 | H10 | 104.2° | 109.5° |
| C4 | C3 | H43 | 106.5° | 109.8° |
| O2 | C20 | C19 | 115.9° | 109.4° |
| O2 | C20 | H25 | 107.9° | 109.5° |
| O2 | C20 | H26 | 107.9° | 109.5° |
| C20 | C19 | C18 | 116.2° | 109.4° |
| C20 | C19 | O14 | 109.3° | 109.5° |
| C20 | C19 | H23 | 106.7° | 109.5° |
| C19 | C20 | H25 | 107.9° | 109.5° |
| C19 | C20 | H26 | 107.8° | 109.5° |
| O96 | C5 | N2 | 112.3° | 120.0° |
| O96 | C5 | H2 | 123.8° | 120.0° |
| C16 | C13 | C14 | 120.6° | 119.9° |
| C13 | C16 | C17 | 134.9° | 109.5° |
| C13 | C16 | H19 | 102.8° | 109.5° |
| C13 | C16 | H44 | 102.8° | 109.5° |
| C13 | C14 | C15 | 120.4° | 120.0° |
| C13 | C14 | H18 | 119.8° | 120.0° |
| C14 | C15 | H17 | 119.4° | 120.1° |
| C15 | C14 | H18 | 119.8° | 120.0° |
| C5 | N2 | C3 | 112.2° | 120.7° |
| C5 | N2 | C6 | 113.9° | 120.7° |
| N2 | C5 | H2 | 123.8° | 120.0° |
| C19 | C18 | C17 | 121.4° | 109.5° |
| C18 | C19 | O14 | 109.4° | 109.5° |
| C19 | C18 | H21 | 104.2° | 109.5° |
| C18 | C19 | H23 | 106.8° | 109.5° |
| C18 | C17 | C16 | 104.6° | 109.5° |
| C18 | C17 | O16 | 114.0° | 109.5° |
| C18 | C17 | H20 | 119.4° | 109.5° |
| C17 | C18 | H21 | 104.2° | 109.4° |
| C16 | C17 | O16 | 68.3° | 109.5° |
| C17 | C16 | H19 | 102.8° | 109.5° |
| C16 | C17 | H20 | 115.1° | 109.4° |
| C17 | C16 | H44 | 102.8° | 109.4° |
| O14 | C19 | H23 | 108.3° | 109.5° |
| C19 | O14 | H24 | 109.5° | 114.0° |
| N2 | C3 | C2 | 110.3° | 108.1° |
| C3 | N2 | C6 | 125.4° | 118.6° |
| N2 | C3 | H43 | 107.6° | 109.8° |
| C3 | C2 | C1 | 108.2° | 109.6° |
| C3 | C2 | N3 | 118.6° | 108.3° |
| C3 | C2 | H6 | 105.5° | 109.8° |
| C2 | C3 | H43 | 107.1° | 109.7° |
| C1 | C2 | N3 | 111.8° | 109.7° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C1 | C2 | H6 | 105.6° | 109.8° |
| N2 | C6 | C9 | 128.3° | 120.7° |
| N2 | C6 | C7 | 118.4° | 120.2° |
| O16 | C17 | H20 | 122.4° | 109.5° |
| C17 | O16 | H45 | 109.5° | 114.0° |
| C2 | N3 | C7 | 126.6° | 119.1° |
| C2 | N3 | H3 | 105.1° | 120.4° |
| N3 | C2 | H6 | 106.2° | 109.7° |
| O1 | C9 | C6 | 123.8° | 120.3° |
| O1 | C9 | N5 | 114.5° | 120.3° |
| C9 | C6 | C7 | 113.2° | 119.1° |
| C6 | C9 | N5 | 121.6° | 119.4° |
| C6 | C7 | N3 | 117.9° | 120.4° |
| C6 | C7 | N4 | 119.6° | 119.0° |
| C9 | N5 | C8 | 120.4° | 121.1° |
| N3 | C7 | N4 | 122.5° | 120.5° |
| C7 | N3 | H3 | 105.0° | 120.4° |
| C7 | N4 | C8 | 124.9° | 120.0° |
| C7 | N4 | H1 | 117.6° | 120.0° |
| N5 | C8 | N4 | 120.2° | 121.4° |
| N5 | C8 | N6 | 120.3° | 119.3° |
| N4 | C8 | N6 | 119.5° | 119.3° |
| C8 | N4 | H1 | 117.6° | 119.9° |
| C8 | N6 | H4 | 120.0° | 120.0° |
| C8 | N6 | H5 | 120.0° | 120.0° |
| H4 | N6 | H5 | 120.0° | 120.0° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H11 | C31 | H12 | 109.4° | 109.5° |
| H11 | C31 | H13 | 109.5° | 109.4° |
| H12 | C31 | H13 | 109.5° | 109.5° |
| H19 | C16 | H44 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.4° |
| H33 | C25 | H34 | 109.5° | 109.6° |
| H38 | C27 | H39 | 109.5° | 109.5° |
| H40 | C28 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | P | O7 | C26 | 62.6° | 55.0° |
| O5 | P | O6 | O7 | 118.0° | 120.0° |
| O5 | P | O6 | O4 | 122.4° | 120.0° |
| O5 | P | O7 | O4 | 120.6° | 120.0° |
| O5 | P | O4 | C25 | 148.9° | 55.0° |
| O5 | P | O6 | H35 | 70.3° | 180.0° |
| O11 | C30 | C26 | O10 | 179.5° | 180.0° |
| O11 | C30 | C26 | C27 | 154.1° | 115.0° |
| O11 | C30 | C26 | O7 | 78.5° | 5.0° |
| O11 | C30 | C26 | H36 | 38.0° | 125.1° |
| O11 | C30 | O10 | H37 | 0.0° | 0.0° |
| O9 | C29 | C28 | O8 | 179.7° | 180.0° |
| O9 | C29 | C28 | C27 | 179.9° | 0.0° |
| O9 | C29 | C28 | H40 | 58.5° | 120.0° |
| O9 | C29 | C28 | H41 | 58.7° | 119.9° |
| O9 | C29 | O8 | H42 | 0.0° | 0.1° |
| C29 | C28 | C27 | H40 | 121.4° | 120.0° |
| C29 | C28 | C27 | H41 | 121.4° | 120.0° |
| C29 | C28 | C27 | C26 | 166.4° | 180.0° |
| C29 | C28 | C27 | H38 | 72.9° | 60.0° |
| C29 | C28 | C27 | H39 | 45.7° | 60.0° |
| C29 | C28 | H40 | H41 | 115.5° | 120.0° |
| C28 | C29 | O8 | H42 | 179.7° | 180.0° |
| C27 | C28 | C29 | O8 | 0.2° | 180.0° |
| C28 | C27 | C26 | C30 | 143.9° | 175.0° |
| C28 | C27 | C26 | H38 | 120.7° | 120.0° |
| C28 | C27 | C26 | H39 | 120.7° | 120.0° |
| C28 | C27 | C26 | O7 | 87.6° | 65.0° |
| C28 | C27 | C26 | H36 | 27.7° | 55.1° |
| C28 | C27 | H38 | H39 | 117.7° | 120.1° |
| C27 | C28 | H40 | H41 | 115.5° | 120.0° |
| O8 | C29 | C28 | H40 | 121.2° | 60.0° |
| O8 | C29 | C28 | H41 | 121.6° | 60.0° |
| C30 | C26 | C27 | O7 | 128.5° | 120.0° |
| C30 | C26 | C27 | H36 | 116.3° | 119.9° |
| C30 | C26 | O7 | H36 | 115.9° | 120.0° |
| C30 | C26 | O7 | P | 54.9° | 120.0° |
| C26 | C30 | O10 | H37 | 179.5° | 180.0° |
| C30 | C26 | C27 | H38 | 95.3° | 55.0° |
| C30 | C26 | C27 | H39 | 23.2° | 65.1° |
| O10 | C30 | C26 | C27 | 26.4° | 65.0° |
| O10 | C30 | C26 | O7 | 101.0° | 175.0° |
| O10 | C30 | C26 | H36 | 142.5° | 55.0° |
| C27 | C26 | O7 | H36 | 114.5° | 120.0° |
| C27 | C26 | O7 | P | 175.5° | 120.0° |
| C26 | C27 | H38 | H39 | 117.7° | 120.0° |
| C26 | C27 | C28 | H40 | 45.0° | 60.0° |
| C26 | C27 | C28 | H41 | 72.2° | 60.1° |
| C26 | O7 | P | O6 | 54.3° | 65.0° |
| C26 | O7 | P | O4 | 176.8° | 175.0° |
| O7 | C26 | C27 | H38 | 33.2° | 174.9° |
| O7 | C26 | C27 | H39 | 151.7° | 54.9° |
| O6 | P | O7 | O4 | 122.5° | 120.0° |
| O6 | P | O4 | C25 | 88.4° | 65.0° |
| O7 | P | O4 | C25 | 26.9° | 175.0° |
| O7 | P | O6 | H35 | 47.7° | 60.1° |
| P | O7 | C26 | H36 | 61.0° | 0.0° |
| P | O4 | C25 | C24 | 90.9° | 180.0° |
| P | O4 | C25 | H33 | 29.7° | 60.1° |
| P | O4 | C25 | H34 | 148.4° | 60.0° |
| O4 | P | O6 | H35 | 167.3° | 59.9° |
| O4 | C25 | C24 | C23 | 20.9° | 175.0° |
| O4 | C25 | C24 | H33 | 120.7° | 119.9° |
| O4 | C25 | C24 | H34 | 120.7° | 120.0° |
| O4 | C25 | C24 | O3 | 145.8° | 69.3° |
| O4 | C25 | C24 | H32 | 95.8° | 52.9° |
| O4 | C25 | H33 | H34 | 117.9° | 120.0° |
| O13 | C22 | C23 | O12 | 25.6° | 33.8° |
| O13 | C22 | C23 | C21 | 120.8° | 118.2° |
| O13 | C22 | C23 | H28 | 122.7° | 123.6° |
| O13 | C22 | C23 | C24 | 134.2° | 84.1° |
| O13 | C22 | C21 | H28 | 122.1° | 123.4° |
| O13 | C22 | C21 | O3 | 115.2° | 97.0° |
| O13 | C22 | C21 | O2 | 25.3° | 22.5° |
| O13 | C22 | C21 | H27 | 138.0° | 143.4° |
| O13 | C22 | C23 | H30 | 102.3° | 158.0° |
| O12 | C23 | C22 | C24 | 108.6° | 117.9° |
| O12 | C23 | C22 | H30 | 127.9° | 124.2° |
| O12 | C23 | C24 | H30 | 122.8° | 124.2° |
| O12 | C23 | C22 | C21 | 95.2° | 152.0° |
| O12 | C23 | C24 | C25 | 143.7° | 86.8° |
| O12 | C23 | C24 | O3 | 85.2° | 154.3° |
| O12 | C23 | C22 | H28 | 148.3° | 89.8° |
| O12 | C23 | C24 | H32 | 27.1° | 35.4° |
| C22 | C23 | C24 | H30 | 123.4° | 117.9° |
| C23 | C22 | C21 | H28 | 116.8° | 118.2° |
| C22 | C23 | C24 | C25 | 102.5° | 155.3° |
| C22 | C23 | C24 | O3 | 28.6° | 36.5° |
| C23 | C22 | C21 | O3 | 5.9° | 21.4° |
| C23 | C22 | C21 | O2 | 146.5° | 140.9° |
| C23 | C22 | C21 | H27 | 100.8° | 98.2° |
| C23 | C22 | O13 | H29 | 180.0° | 174.4° |
| C22 | C23 | O12 | H31 | 180.0° | 61.4° |
| C22 | C23 | C24 | H32 | 140.9° | 82.5° |
| C24 | C23 | C22 | C21 | 13.4° | 34.1° |
| C23 | C24 | C25 | O3 | 124.9° | 115.7° |
| C23 | C24 | C25 | H32 | 116.7° | 122.1° |
| C23 | C24 | O3 | H32 | 111.5° | 119.0° |
| C23 | C24 | O3 | C21 | 33.8° | 24.5° |
| C24 | C23 | C22 | H28 | 103.1° | 152.4° |
| C24 | C23 | O12 | H31 | 68.6° | 172.9° |
| C23 | C24 | C25 | H33 | 141.6° | 55.1° |
| C23 | C24 | C25 | H34 | 99.8° | 65.0° |
| C22 | C21 | O3 | C24 | 25.1° | 1.7° |
| C22 | C21 | O3 | O2 | 140.7° | 119.5° |
| C22 | C21 | O3 | H27 | 106.3° | 119.6° |
| C22 | C21 | O2 | H27 | 112.5° | 121.0° |
| C22 | C21 | O2 | C20 | 47.9° | 170.4° |
| C21 | C22 | O13 | H29 | 63.1° | 61.5° |
| C21 | C22 | C23 | H30 | 136.9° | 83.8° |
| C25 | C24 | O3 | H32 | 117.7° | 122.2° |
| C25 | C24 | O3 | C21 | 97.0° | 143.3° |
| C25 | C24 | C23 | H30 | 20.9° | 37.4° |
| C24 | C25 | H33 | H34 | 117.9° | 120.1° |
| C24 | O3 | C21 | O2 | 165.8° | 117.8° |
| C24 | O3 | C21 | H27 | 81.2° | 121.3° |
| O3 | C24 | C23 | H30 | 152.0° | 81.4° |
| O3 | C24 | C25 | H33 | 93.5° | 170.8° |
| O3 | C24 | C25 | H34 | 25.1° | 50.6° |
| C31 | C4 | N1 | C10 | 107.2° | 85.0° |
| C31 | C4 | N1 | C3 | 132.4° | 120.0° |
| C31 | C4 | N1 | H10 | 111.5° | 120.0° |
| C31 | C4 | C3 | H10 | 113.3° | 120.0° |
| C31 | C4 | C3 | N2 | 149.6° | 175.0° |
| C31 | C4 | C3 | C2 | 85.8° | 66.4° |
| C4 | C31 | H11 | H12 | 120.0° | 120.0° |
| C4 | C31 | H11 | H13 | 120.0° | 120.0° |
| C4 | C31 | H12 | H13 | 120.0° | 120.1° |
| C31 | C4 | N1 | H14 | 130.1° | 95.0° |
| C31 | C4 | C3 | H43 | 27.9° | 54.2° |
| O3 | C21 | O2 | H27 | 113.2° | 120.9° |
| O3 | C21 | O2 | C20 | 86.4° | 71.4° |
| O3 | C21 | C22 | H28 | 122.7° | 139.6° |
| C21 | O3 | C24 | H32 | 145.3° | 94.5° |
| C21 | O2 | C20 | C19 | 171.7° | 180.0° |
| C21 | O2 | C20 | H25 | 50.7° | 60.0° |
| C21 | O2 | C20 | H26 | 67.4° | 60.0° |
| O2 | C21 | C22 | H28 | 96.8° | 100.9° |
| C12 | C11 | C10 | H15 | 180.0° | 179.9° |
| C12 | C11 | C10 | N1 | 179.2° | 180.0° |
| C11 | C12 | C13 | H16 | 180.0° | 179.9° |
| C12 | C11 | C10 | C15 | 0.7° | 0.3° |
| C11 | C12 | C13 | C16 | 179.7° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.3° |
| C11 | C10 | N1 | C15 | 179.9° | 179.7° |
| C11 | C10 | N1 | C4 | 160.9° | 0.3° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C11 | C10 | C15 | C14 | 0.0° | 0.3° |
| C11 | C10 | N1 | H14 | 38.2° | 179.7° |
| C10 | C11 | C12 | H16 | 179.4° | 179.9° |
| C11 | C10 | C15 | H17 | 180.0° | 179.7° |
| C10 | N1 | C4 | H14 | 122.7° | 180.0° |
| C10 | N1 | C4 | C3 | 120.4° | 155.0° |
| N1 | C10 | C15 | C14 | 179.9° | 179.9° |
| C10 | N1 | C4 | H10 | 4.4° | 34.9° |
| N1 | C10 | C11 | H15 | 0.8° | 0.1° |
| N1 | C10 | C15 | H17 | 0.1° | 0.0° |
| C4 | N1 | C10 | C15 | 19.2° | 180.0° |
| N1 | C4 | C3 | H10 | 116.6° | 120.0° |
| N1 | C4 | C3 | N2 | 19.5° | 55.0° |
| N1 | C4 | C3 | C2 | 144.2° | 173.6° |
| N1 | C4 | C31 | H11 | 180.0° | 59.9° |
| N1 | C4 | C31 | H12 | 60.0° | 180.0° |
| N1 | C4 | C31 | H13 | 60.0° | 60.0° |
| N1 | C4 | C3 | H43 | 102.2° | 65.8° |
| O15 | C18 | C19 | C20 | 13.4° | 60.0° |
| O15 | C18 | C19 | C17 | 130.4° | 120.0° |
| O15 | C18 | C19 | H21 | 112.7° | 120.0° |
| O15 | C18 | C17 | H21 | 112.6° | 120.0° |
| O15 | C18 | C17 | C16 | 73.9° | 60.0° |
| O15 | C18 | C19 | O14 | 137.7° | 180.0° |
| O15 | C18 | C17 | O16 | 146.3° | 180.0° |
| O15 | C18 | C17 | H20 | 56.5° | 60.0° |
| O15 | C18 | C19 | H23 | 105.4° | 60.0° |
| C12 | C13 | C16 | C14 | 179.5° | 179.7° |
| C12 | C13 | C14 | C15 | 0.9° | 0.3° |
| C12 | C13 | C16 | C17 | 165.8° | 90.0° |
| C13 | C12 | C11 | H15 | 179.4° | 179.9° |
| C12 | C13 | C14 | H18 | 179.1° | 179.7° |
| C12 | C13 | C16 | H19 | 71.1° | 150.1° |
| C12 | C13 | C16 | H44 | 42.6° | 30.0° |
| C10 | C15 | C14 | C13 | 0.8° | 0.0° |
| C10 | C15 | C14 | H17 | 180.0° | 179.9° |
| C15 | C10 | N1 | H14 | 141.9° | 0.0° |
| C15 | C10 | C11 | H15 | 179.3° | 179.8° |
| C10 | C15 | C14 | H18 | 179.3° | 180.0° |
| C4 | C3 | N2 | C5 | 70.9° | 104.2° |
| C4 | C3 | N2 | C2 | 122.3° | 119.5° |
| C4 | C3 | N2 | H43 | 121.1° | 120.8° |
| C4 | C3 | C2 | H43 | 113.2° | 120.6° |
| C4 | C3 | C2 | C1 | 86.3° | 176.0° |
| C4 | C3 | N2 | C6 | 143.3° | 76.1° |
| C4 | C3 | C2 | N3 | 145.0° | 64.3° |
| C3 | C4 | C31 | H11 | 45.1° | 180.0° |
| C3 | C4 | C31 | H12 | 74.9° | 60.0° |
| C3 | C4 | C31 | H13 | 165.1° | 60.0° |
| C3 | C4 | N1 | H14 | 2.3° | 25.0° |
| C4 | C3 | C2 | H6 | 26.2° | 55.4° |
| O2 | C20 | C19 | H25 | 120.9° | 120.0° |
| O2 | C20 | C19 | H26 | 120.9° | 120.1° |
| O2 | C20 | C19 | C18 | 156.8° | 175.0° |
| O2 | C20 | C19 | O14 | 32.5° | 65.0° |
| O2 | C20 | C19 | H23 | 84.4° | 55.0° |
| O2 | C20 | H25 | H26 | 117.1° | 120.0° |
| C20 | O2 | C21 | H27 | 160.4° | 49.4° |
| C20 | C19 | C18 | O14 | 124.3° | 120.0° |
| C20 | C19 | C18 | H23 | 118.8° | 120.0° |
| C20 | C19 | C18 | C17 | 143.9° | 180.0° |
| C20 | C19 | O14 | H23 | 115.8° | 120.0° |
| C20 | C19 | C18 | H21 | 99.3° | 60.0° |
| C20 | C19 | O14 | H24 | 180.0° | 60.0° |
| C19 | C20 | H25 | H26 | 117.1° | 120.0° |
| O96 | C5 | N2 | H2 | 180.0° | 179.7° |
| O96 | C5 | N2 | C3 | 99.6° | 5.8° |
| O96 | C5 | N2 | C6 | 110.4° | 174.6° |
| C16 | C13 | C14 | C15 | 179.6° | 180.0° |
| C13 | C16 | C17 | C18 | 120.6° | 175.0° |
| C13 | C16 | C17 | H19 | 123.1° | 120.0° |
| C13 | C16 | C17 | H44 | 123.2° | 120.0° |
| C13 | C16 | C17 | O16 | 129.0° | 65.0° |
| C16 | C13 | C12 | H16 | 0.3° | 0.1° |
| C16 | C13 | C14 | H18 | 0.4° | 0.0° |
| C13 | C16 | H19 | H44 | 108.7° | 120.1° |
| C13 | C16 | C17 | H20 | 12.3° | 55.0° |
| C13 | C14 | C15 | H18 | 180.0° | 180.0° |
| C14 | C13 | C16 | C17 | 13.7° | 89.8° |
| C14 | C13 | C12 | H16 | 179.8° | 179.8° |
| C13 | C14 | C15 | H17 | 179.2° | 180.0° |
| C14 | C13 | C16 | H19 | 109.4° | 30.2° |
| C14 | C13 | C16 | H44 | 136.9° | 150.3° |
| C5 | N2 | C3 | C6 | 145.8° | 179.7° |
| C5 | N2 | C3 | C2 | 166.8° | 136.3° |
| C5 | N2 | C6 | C9 | 23.2° | 16.0° |
| C5 | N2 | C6 | C7 | 161.0° | 164.0° |
| C5 | N2 | C3 | H43 | 50.2° | 16.6° |
| C19 | C18 | C17 | H21 | 116.9° | 120.0° |
| C19 | C18 | C17 | C16 | 155.6° | 180.0° |
| C18 | C19 | O14 | H23 | 116.0° | 120.0° |
| C19 | C18 | C17 | O16 | 83.2° | 60.0° |
| C19 | C18 | C17 | H20 | 74.0° | 60.0° |
| C19 | C18 | O15 | H22 | 180.0° | 60.0° |
| C18 | C19 | O14 | H24 | 51.8° | 60.0° |
| C18 | C19 | C20 | H25 | 35.8° | 55.0° |
| C18 | C19 | C20 | H26 | 82.3° | 65.0° |
| C18 | C17 | C16 | O16 | 110.4° | 120.1° |
| C18 | C17 | C16 | H20 | 132.9° | 120.0° |
| C17 | C18 | C19 | O14 | 91.9° | 60.0° |
| C18 | C17 | O16 | H20 | 156.4° | 120.0° |
| C18 | C17 | C16 | H19 | 2.5° | 55.0° |
| C17 | C18 | O15 | H22 | 43.7° | 59.9° |
| C17 | C18 | C19 | H23 | 25.0° | 60.0° |
| C18 | C17 | C16 | H44 | 116.2° | 65.0° |
| C18 | C17 | O16 | H45 | 180.0° | 60.0° |
| C16 | C17 | O16 | H20 | 106.7° | 120.0° |
| C17 | C16 | H19 | H44 | 108.7° | 120.0° |
| C16 | C17 | C18 | H21 | 38.7° | 60.0° |
| C16 | C17 | O16 | H45 | 83.1° | 60.0° |
| O14 | C19 | C18 | H21 | 25.0° | 59.9° |
| O14 | C19 | C20 | H25 | 88.5° | 175.0° |
| O14 | C19 | C20 | H26 | 153.4° | 55.0° |
| N2 | C3 | C2 | H43 | 116.8° | 119.8° |
| N2 | C3 | C2 | C1 | 143.7° | 64.4° |
| N2 | C3 | C2 | N3 | 15.0° | 55.3° |
| C3 | N2 | C6 | C9 | 168.5° | 164.3° |
| C3 | N2 | C6 | C7 | 15.7° | 15.6° |
| C3 | N2 | C5 | H2 | 80.3° | 174.6° |
| N2 | C3 | C4 | H10 | 97.1° | 65.0° |
| N2 | C3 | C2 | H6 | 103.8° | 175.0° |
| C3 | C2 | C1 | N3 | 132.4° | 118.7° |
| C3 | C2 | C1 | H6 | 112.5° | 120.6° |
| C2 | C3 | N2 | C6 | 21.0° | 43.3° |
| C3 | C2 | N3 | H6 | 118.4° | 119.8° |
| C3 | C2 | N3 | C7 | 5.2° | 45.1° |
| C3 | C2 | C1 | H7 | 180.0° | 58.8° |
| C3 | C2 | C1 | H8 | 60.0° | 61.3° |
| C3 | C2 | C1 | H9 | 60.0° | 178.8° |
| C2 | C3 | C4 | H10 | 27.5° | 53.6° |
| C3 | C2 | N3 | H3 | 117.0° | 134.9° |
| C1 | C2 | N3 | H6 | 114.7° | 120.7° |
| C1 | C2 | N3 | C7 | 132.2° | 74.4° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | N3 | H3 | 9.9° | 105.6° |
| C1 | C2 | C3 | H43 | 26.9° | 55.4° |
| N2 | C6 | C9 | O1 | 4.1° | 0.2° |
| N2 | C6 | C9 | C7 | 176.0° | 180.0° |
| N2 | C6 | C9 | N5 | 175.1° | 179.7° |
| N2 | C6 | C7 | N3 | 2.8° | 0.3° |
| N2 | C6 | C7 | N4 | 175.7° | 179.7° |
| C6 | N2 | C5 | H2 | 69.6° | 5.1° |
| C6 | N2 | C3 | H43 | 95.6° | 163.0° |
| O16 | C17 | C16 | H19 | 107.9° | 175.1° |
| O16 | C17 | C18 | H21 | 33.6° | 60.0° |
| O16 | C17 | C16 | H44 | 5.8° | 55.0° |
| C2 | N3 | C7 | C6 | 1.7° | 17.2° |
| C2 | N3 | C7 | H3 | 122.3° | 180.0° |
| C2 | N3 | C7 | N4 | 179.8° | 162.9° |
| N3 | C2 | C1 | H7 | 47.7° | 60.0° |
| N3 | C2 | C1 | H8 | 72.4° | 180.0° |
| N3 | C2 | C1 | H9 | 167.6° | 60.1° |
| N3 | C2 | C3 | H43 | 101.8° | 175.0° |
| O1 | C9 | C6 | N5 | 179.3° | 180.0° |
| O1 | C9 | C6 | C7 | 179.8° | 179.7° |
| O1 | C9 | N5 | C8 | 179.8° | 179.9° |
| C9 | C6 | C7 | N3 | 179.3° | 179.6° |
| C9 | C6 | C7 | N4 | 0.8° | 0.3° |
| C6 | C9 | N5 | C8 | 0.9° | 0.2° |
| C7 | C6 | C9 | N5 | 0.9° | 0.3° |
| C6 | C7 | N3 | N4 | 178.5° | 179.9° |
| C6 | C7 | N4 | C8 | 0.7° | 0.2° |
| C6 | C7 | N4 | H1 | 179.3° | 179.8° |
| C6 | C7 | N3 | H3 | 124.0° | 162.8° |
| C9 | N5 | C8 | N4 | 0.7° | 0.0° |
| C9 | N5 | C8 | N6 | 179.2° | 180.0° |
| N3 | C7 | N4 | C8 | 179.1° | 179.7° |
| N3 | C7 | N4 | H1 | 0.9° | 0.3° |
| C7 | N3 | C2 | H6 | 113.1° | 164.9° |
| C7 | N4 | C8 | N5 | 0.6° | 0.0° |
| C7 | N4 | C8 | H1 | 180.0° | 179.9° |
| C7 | N4 | C8 | N6 | 179.1° | 180.0° |
| N4 | C7 | N3 | H3 | 57.5° | 17.1° |
| N5 | C8 | N4 | N6 | 178.5° | 180.0° |
| N5 | C8 | N6 | H4 | 0.0° | 180.0° |
| N5 | C8 | N6 | H5 | 180.0° | 0.1° |
| N5 | C8 | N4 | H1 | 179.4° | 179.9° |
| N4 | C8 | N6 | H4 | 178.5° | 0.0° |
| N4 | C8 | N6 | H5 | 1.5° | 180.0° |
| C8 | N6 | H4 | H5 | 180.0° | 179.9° |
| N6 | C8 | N4 | H1 | 0.9° | 0.1° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H7 | C1 | C2 | H6 | 67.5° | 179.4° |
| H8 | C1 | C2 | H6 | 172.5° | 59.4° |
| H9 | C1 | C2 | H6 | 52.5° | 60.6° |
| H10 | C4 | C31 | H11 | 68.0° | 60.0° |
| H10 | C4 | C31 | H12 | 172.1° | 60.0° |
| H10 | C4 | C31 | H13 | 52.0° | 179.9° |
| H10 | C4 | N1 | H14 | 118.3° | 145.1° |
| H10 | C4 | C3 | H43 | 141.2° | 174.2° |
| H11 | C31 | H12 | H13 | 120.0° | 119.9° |
| H15 | C11 | C12 | H16 | 0.6° | 0.0° |
| H17 | C15 | C14 | H18 | 0.7° | 0.1° |
| H19 | C16 | C17 | H20 | 135.4° | 65.0° |
| H20 | C17 | C18 | H21 | 169.2° | 180.0° |
| H20 | C17 | C16 | H44 | 110.9° | 175.0° |
| H20 | C17 | O16 | H45 | 23.6° | 180.0° |
| H21 | C18 | O15 | H22 | 68.1° | 179.9° |
| H21 | C18 | C19 | H23 | 141.9° | 180.0° |
| H23 | C19 | O14 | H24 | 64.2° | 180.0° |
| H23 | C19 | C20 | H25 | 154.7° | 65.0° |
| H23 | C19 | C20 | H26 | 36.6° | 175.1° |
| H27 | C21 | C22 | H28 | 15.9° | 20.0° |
| H28 | C22 | O13 | H29 | 58.0° | 62.0° |
| H28 | C22 | C23 | H30 | 20.4° | 34.4° |
| H30 | C23 | O12 | H31 | 53.1° | 62.8° |
| H30 | C23 | C24 | H32 | 95.7° | 159.6° |
| H32 | C24 | C25 | H33 | 24.9° | 67.0° |
| H32 | C24 | C25 | H34 | 143.5° | 172.8° |
| H36 | C26 | C27 | H38 | 148.4° | 65.0° |
| H36 | C26 | C27 | H39 | 93.0° | 175.0° |
| H38 | C27 | C28 | H40 | 165.7° | 180.0° |
| H38 | C27 | C28 | H41 | 48.5° | 59.9° |
| H39 | C27 | C28 | H40 | 75.7° | 59.9° |
| H39 | C27 | C28 | H41 | 167.1° | 180.0° |
| H3 | N3 | C2 | H6 | 124.6° | 15.1° |
| H6 | C2 | C3 | H43 | 139.4° | 65.2° |
