A1IWL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.46Å | 1.46Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | O | sing | 1.43Å | 1.45Å | |
| O | C5 | sing | 1.36Å | 1.38Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C1 | sing | 1.51Å | 1.53Å | |
| C5 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | N1 | sing | 1.46Å | 1.51Å | |
| C10 | O1 | sing | 1.44Å | 1.40Å | |
| O1 | C11 | sing | 1.44Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| O2 | C12 | sing | 1.43Å | 1.44Å | |
| P | O2 | sing | 1.61Å | 1.61Å | |
| O3 | P | doub | 1.48Å | 1.48Å | |
| O4 | P | sing | 1.61Å | 1.52Å | |
| O5 | P | sing | 1.61Å | 1.59Å | |
| P1 | O5 | sing | 1.61Å | 1.59Å | |
| O6 | P1 | doub | 1.48Å | 1.47Å | |
| O7 | P1 | sing | 1.61Å | 1.52Å | |
| O8 | P1 | sing | 1.61Å | 1.55Å | |
| C13 | O8 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | O9 | sing | 1.44Å | 1.45Å | |
| O9 | C15 | sing | 1.44Å | 1.41Å | |
| C15 | C16 | sing | 1.55Å | 1.53Å | |
| O10 | C16 | sing | 1.43Å | 1.42Å | |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| C17 | C14 | sing | 1.54Å | 1.53Å | |
| O11 | C17 | sing | 1.43Å | 1.42Å | |
| N2 | C15 | sing | 1.46Å | 1.46Å | |
| N2 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| C18 | N3 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C19 | sing | 1.35Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.41Å | Aromatic |
| N4 | C20 | sing | 1.38Å | 1.34Å | |
| C20 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
| N5 | C21 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| N6 | C22 | doub | 1.33Å | 1.34Å | Aromatic |
| C22 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C19 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| C11 | C23 | sing | 1.54Å | 1.52Å | |
| O12 | C23 | sing | 1.43Å | 1.43Å | |
| C23 | C24 | sing | 1.55Å | 1.54Å | |
| C24 | C10 | sing | 1.54Å | 1.54Å | |
| O13 | C24 | sing | 1.43Å | 1.42Å | |
| N | C25 | sing | 1.35Å | 1.36Å | |
| O14 | C25 | doub | 1.22Å | 1.23Å | |
| C25 | N7 | sing | 1.35Å | 1.34Å | |
| N7 | C26 | sing | 1.46Å | 1.46Å | |
| C26 | C27 | sing | 1.54Å | 1.52Å | |
| C27 | O15 | sing | 1.44Å | 1.43Å | |
| O15 | C28 | sing | 1.44Å | 1.43Å | |
| C28 | C29 | sing | 1.55Å | 1.54Å | |
| C26 | C29 | sing | 1.55Å | 1.52Å | |
| F | C29 | sing | 1.40Å | 1.37Å | |
| C29 | F1 | sing | 1.40Å | 1.36Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| O4 | H17 | sing | 0.97Å | 0.95Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| N4 | H28 | sing | 0.97Å | 1.00Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| N7 | H35 | sing | 0.97Å | 1.00Å | |
| O10 | H24 | sing | 0.97Å | 0.95Å | |
| O11 | H26 | sing | 0.97Å | 0.95Å | |
| O12 | H32 | sing | 0.97Å | 0.95Å | |
| O13 | H34 | sing | 0.97Å | 0.95Å | |
| O7 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 118.8° | 120.0° |
| C | N | C25 | 123.1° | 120.0° |
| N | C | H1 | 109.5° | 109.5° |
| N | C | H3 | 109.4° | 109.5° |
| N | C | H2 | 109.5° | 109.5° |
| N | C1 | C2 | 111.0° | 109.6° |
| N | C1 | C9 | 108.5° | 109.6° |
| C1 | N | C25 | 117.9° | 120.0° |
| N | C1 | H | 107.3° | 109.6° |
| C1 | C2 | C3 | 113.7° | 110.7° |
| C2 | C1 | C9 | 116.3° | 108.6° |
| C2 | C1 | H | 106.5° | 109.8° |
| C1 | C2 | H5 | 108.4° | 109.2° |
| C1 | C2 | H4 | 108.4° | 109.2° |
| C2 | C3 | C4 | 113.9° | 113.7° |
| C2 | C3 | H6 | 108.3° | 108.7° |
| C2 | C3 | H7 | 108.4° | 108.5° |
| C3 | C2 | H5 | 108.4° | 109.3° |
| C3 | C2 | H4 | 108.4° | 109.2° |
| C3 | C4 | O | 112.0° | 111.1° |
| C3 | C4 | H9 | 108.8° | 109.2° |
| C3 | C4 | H8 | 108.9° | 109.2° |
| C4 | C3 | H6 | 108.4° | 108.7° |
| C4 | C3 | H7 | 108.4° | 108.6° |
| C4 | O | C5 | 116.2° | 115.5° |
| O | C4 | H9 | 108.8° | 109.2° |
| O | C4 | H8 | 108.8° | 109.2° |
| O | C5 | C6 | 116.9° | 120.6° |
| O | C5 | C9 | 122.7° | 120.4° |
| C5 | C6 | N1 | 119.4° | 120.2° |
| C6 | C5 | C9 | 120.5° | 119.0° |
| C5 | C6 | H10 | 120.3° | 119.9° |
| C6 | N1 | C7 | 121.8° | 122.1° |
| C6 | N1 | C10 | 118.6° | 119.0° |
| N1 | C6 | H10 | 120.3° | 119.9° |
| N1 | C7 | C8 | 120.4° | 120.8° |
| C7 | N1 | C10 | 119.6° | 118.9° |
| N1 | C7 | H11 | 119.8° | 119.6° |
| C7 | C8 | C9 | 120.3° | 118.5° |
| C8 | C7 | H11 | 119.8° | 119.6° |
| C7 | C8 | H12 | 119.8° | 120.7° |
| C8 | C9 | C1 | 119.0° | 120.9° |
| C8 | C9 | C5 | 117.6° | 119.3° |
| C9 | C8 | H12 | 119.9° | 120.7° |
| C1 | C9 | C5 | 123.3° | 119.8° |
| C9 | C1 | H | 106.6° | 109.6° |
| N1 | C10 | O1 | 108.7° | 110.4° |
| N1 | C10 | C24 | 112.3° | 110.4° |
| N1 | C10 | H13 | 108.6° | 110.3° |
| C10 | O1 | C11 | 109.8° | 105.3° |
| O1 | C10 | C24 | 108.9° | 104.8° |
| O1 | C10 | H13 | 110.1° | 110.4° |
| O1 | C11 | C12 | 109.8° | 110.4° |
| O1 | C11 | C23 | 105.4° | 104.8° |
| O1 | C11 | H14 | 109.2° | 110.3° |
| C11 | C12 | O2 | 108.3° | 109.5° |
| C12 | C11 | C23 | 115.9° | 110.4° |
| C12 | C11 | H14 | 108.3° | 110.4° |
| C11 | C12 | H15 | 109.8° | 109.5° |
| C11 | C12 | H16 | 109.7° | 109.4° |
| C12 | O2 | P | 122.8° | 123.0° |
| O2 | C12 | H15 | 109.8° | 109.5° |
| O2 | C12 | H16 | 109.8° | 109.5° |
| O2 | P | O3 | 111.1° | 109.5° |
| O2 | P | O4 | 107.8° | 109.5° |
| O2 | P | O5 | 104.2° | 109.5° |
| O3 | P | O4 | 114.3° | 109.5° |
| O3 | P | O5 | 112.6° | 109.5° |
| O4 | P | O5 | 106.2° | 109.5° |
| P | O4 | H17 | 109.5° | 114.0° |
| P | O5 | P1 | 133.9° | 134.0° |
| O5 | P1 | O6 | 110.7° | 109.4° |
| O5 | P1 | O7 | 108.9° | 109.5° |
| O5 | P1 | O8 | 105.5° | 109.5° |
| O6 | P1 | O7 | 117.3° | 109.4° |
| O6 | P1 | O8 | 105.6° | 109.5° |
| O7 | P1 | O8 | 108.2° | 109.5° |
| P1 | O7 | H18 | 109.5° | 113.9° |
| P1 | O8 | C13 | 121.1° | 123.0° |
| O8 | C13 | C14 | 109.9° | 109.4° |
| O8 | C13 | H19 | 109.3° | 109.5° |
| O8 | C13 | H20 | 109.3° | 109.4° |
| C13 | C14 | O9 | 109.3° | 109.9° |
| C13 | C14 | C17 | 115.6° | 109.9° |
| C14 | C13 | H19 | 109.4° | 109.5° |
| C14 | C13 | H20 | 109.4° | 109.5° |
| C13 | C14 | H21 | 108.3° | 109.9° |
| C14 | O9 | C15 | 109.7° | 107.0° |
| O9 | C14 | C17 | 106.3° | 107.3° |
| O9 | C14 | H21 | 109.1° | 109.9° |
| O9 | C15 | C16 | 105.2° | 103.4° |
| O9 | C15 | N2 | 107.7° | 110.6° |
| O9 | C15 | H22 | 110.5° | 110.8° |
| C15 | C16 | O10 | 110.0° | 110.9° |
| C15 | C16 | C17 | 100.9° | 102.1° |
| C16 | C15 | N2 | 114.6° | 110.6° |
| C16 | C15 | H22 | 108.9° | 110.7° |
| C15 | C16 | H23 | 111.2° | 110.9° |
| O10 | C16 | C17 | 110.1° | 110.9° |
| O10 | C16 | H23 | 112.8° | 110.9° |
| C16 | O10 | H24 | 109.5° | 114.0° |
| C16 | C17 | C14 | 102.9° | 104.2° |
| C16 | C17 | O11 | 110.0° | 110.5° |
| C17 | C16 | H23 | 111.2° | 110.9° |
| C16 | C17 | H25 | 110.5° | 110.5° |
| C14 | C17 | O11 | 110.5° | 110.5° |
| C17 | C14 | H21 | 108.1° | 110.0° |
| C14 | C17 | H25 | 110.5° | 110.5° |
| O11 | C17 | H25 | 112.1° | 110.5° |
| C17 | O11 | H26 | 109.5° | 114.0° |
| C15 | N2 | C18 | 127.1° | 126.3° |
| C15 | N2 | C22 | 127.0° | 126.2° |
| N2 | C15 | H22 | 109.8° | 110.6° |
| N2 | C18 | N3 | 114.0° | 110.0° |
| C18 | N2 | C22 | 105.9° | 107.4° |
| N2 | C18 | H27 | 123.0° | 125.0° |
| C18 | N3 | C19 | 103.7° | 109.4° |
| N3 | C18 | H27 | 123.0° | 125.0° |
| N3 | C19 | C20 | 132.4° | 134.7° |
| N3 | C19 | C22 | 110.9° | 107.1° |
| C19 | C20 | N4 | 123.8° | 120.8° |
| C19 | C20 | N5 | 117.8° | 118.4° |
| C20 | C19 | C22 | 116.7° | 118.2° |
| N4 | C20 | N5 | 118.4° | 120.7° |
| C20 | N4 | H28 | 109.5° | 119.9° |
| C20 | N4 | H29 | 109.5° | 120.0° |
| C20 | N5 | C21 | 118.8° | 121.2° |
| N5 | C21 | N6 | 128.6° | 122.5° |
| N5 | C21 | H30 | 115.7° | 118.8° |
| C21 | N6 | C22 | 111.2° | 120.6° |
| N6 | C21 | H30 | 115.7° | 118.7° |
| N6 | C22 | N2 | 127.7° | 134.9° |
| N6 | C22 | C19 | 126.8° | 119.0° |
| N2 | C22 | C19 | 105.5° | 106.0° |
| C11 | C23 | O12 | 112.1° | 110.5° |
| C11 | C23 | C24 | 103.8° | 104.1° |
| C23 | C11 | H14 | 108.1° | 110.3° |
| C11 | C23 | H31 | 108.4° | 110.5° |
| O12 | C23 | C24 | 114.3° | 110.5° |
| O12 | C23 | H31 | 109.7° | 110.6° |
| C23 | O12 | H32 | 109.5° | 114.0° |
| C23 | C24 | C10 | 103.5° | 104.1° |
| C23 | C24 | O13 | 112.4° | 110.5° |
| C24 | C23 | H31 | 108.3° | 110.5° |
| C23 | C24 | H33 | 110.5° | 110.5° |
| C10 | C24 | O13 | 107.3° | 110.5° |
| C24 | C10 | H13 | 108.2° | 110.4° |
| C10 | C24 | H33 | 110.5° | 110.4° |
| O13 | C24 | H33 | 112.2° | 110.6° |
| C24 | O13 | H34 | 109.5° | 114.0° |
| N | C25 | O14 | 121.8° | 120.0° |
| N | C25 | N7 | 116.5° | 120.0° |
| O14 | C25 | N7 | 121.7° | 120.0° |
| C25 | N7 | C26 | 119.7° | 120.0° |
| C25 | N7 | H35 | 120.2° | 120.0° |
| N7 | C26 | C27 | 112.8° | 110.5° |
| N7 | C26 | C29 | 111.1° | 110.5° |
| N7 | C26 | H36 | 110.6° | 110.6° |
| C26 | N7 | H35 | 120.2° | 120.0° |
| C26 | C27 | O15 | 106.2° | 107.3° |
| C27 | C26 | C29 | 102.8° | 104.2° |
| C27 | C26 | H36 | 109.7° | 110.5° |
| C26 | C27 | H38 | 110.3° | 109.9° |
| C26 | C27 | H37 | 110.3° | 109.9° |
| C27 | O15 | C28 | 110.4° | 107.0° |
| O15 | C27 | H38 | 110.3° | 109.8° |
| O15 | C27 | H37 | 110.3° | 109.9° |
| O15 | C28 | C29 | 106.7° | 103.5° |
| O15 | C28 | H40 | 110.2° | 110.6° |
| O15 | C28 | H39 | 110.1° | 110.8° |
| C28 | C29 | C26 | 104.9° | 102.1° |
| C28 | C29 | F | 113.3° | 110.9° |
| C28 | C29 | F1 | 114.0° | 110.9° |
| C29 | C28 | H40 | 110.2° | 110.6° |
| C29 | C28 | H39 | 110.2° | 110.6° |
| C26 | C29 | F | 111.4° | 110.9° |
| C26 | C29 | F1 | 110.4° | 110.9° |
| C29 | C26 | H36 | 109.7° | 110.5° |
| F | C29 | F1 | 103.1° | 110.8° |
| H9 | C4 | H8 | 109.5° | 109.1° |
| H6 | C3 | H7 | 109.5° | 108.6° |
| H5 | C2 | H4 | 109.5° | 109.2° |
| H28 | N4 | H29 | 109.4° | 120.0° |
| H1 | C | H3 | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.4° |
| H3 | C | H2 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.4° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H38 | C27 | H37 | 109.5° | 110.0° |
| H40 | C28 | H39 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | C25 | 174.8° | 180.0° |
| C | N | C1 | C2 | 33.2° | 126.1° |
| C | N | C1 | C9 | 95.9° | 7.0° |
| C | N | C25 | O14 | 178.8° | 180.0° |
| C | N | C25 | N7 | 1.2° | 0.1° |
| C | N | C1 | H | 149.3° | 113.3° |
| N | C | H1 | H3 | 120.0° | 120.0° |
| N | C | H1 | H2 | 120.0° | 120.0° |
| N | C | H3 | H2 | 120.0° | 120.0° |
| N | C1 | C2 | C9 | 124.8° | 119.7° |
| N | C1 | C2 | H | 116.6° | 120.5° |
| N | C1 | C2 | C3 | 166.5° | 36.8° |
| N | C1 | C9 | C8 | 0.5° | 128.5° |
| N | C1 | C9 | H | 115.3° | 120.4° |
| N | C1 | C9 | C5 | 178.4° | 50.9° |
| C1 | N | C25 | O14 | 6.6° | 0.0° |
| C1 | N | C25 | N7 | 175.7° | 179.9° |
| N | C1 | C2 | H5 | 45.9° | 157.1° |
| N | C1 | C2 | H4 | 72.9° | 83.5° |
| C1 | N | C | H1 | 180.0° | 95.1° |
| C1 | N | C | H3 | 60.0° | 144.9° |
| C1 | N | C | H2 | 60.0° | 24.8° |
| C1 | C2 | C3 | H5 | 120.6° | 120.3° |
| C1 | C2 | C3 | H4 | 120.6° | 120.3° |
| C1 | C2 | C3 | C4 | 65.1° | 67.6° |
| C2 | C1 | C9 | C8 | 126.5° | 111.7° |
| C2 | C1 | C9 | H | 118.6° | 119.9° |
| C2 | C1 | C9 | C5 | 55.6° | 68.9° |
| C2 | C1 | N | C25 | 141.6° | 53.9° |
| C1 | C2 | C3 | H6 | 55.5° | 53.5° |
| C1 | C2 | C3 | H7 | 174.2° | 171.4° |
| C1 | C2 | H5 | H4 | 118.0° | 119.4° |
| C2 | C3 | C4 | H6 | 120.6° | 121.1° |
| C2 | C3 | C4 | H7 | 120.7° | 120.9° |
| C2 | C3 | C4 | O | 73.1° | 65.8° |
| C3 | C2 | C1 | C9 | 68.7° | 83.0° |
| C3 | C2 | C1 | H | 50.0° | 157.2° |
| C2 | C3 | C4 | H9 | 166.6° | 54.6° |
| C2 | C3 | C4 | H8 | 47.3° | 173.8° |
| C2 | C3 | H6 | H7 | 118.0° | 117.9° |
| C3 | C2 | H5 | H4 | 118.1° | 119.4° |
| C3 | C4 | O | H9 | 120.4° | 120.4° |
| C3 | C4 | O | H8 | 120.4° | 120.4° |
| C3 | C4 | O | C5 | 86.0° | 86.5° |
| C3 | C4 | H9 | H8 | 118.9° | 119.2° |
| C4 | C3 | H6 | H7 | 118.0° | 118.0° |
| C4 | C3 | C2 | H5 | 174.3° | 52.7° |
| C4 | C3 | C2 | H4 | 55.5° | 172.1° |
| C4 | O | C5 | C6 | 118.5° | 108.8° |
| C4 | O | C5 | C9 | 61.2° | 69.7° |
| O | C4 | H9 | H8 | 118.8° | 119.2° |
| O | C4 | C3 | H6 | 47.6° | 55.3° |
| O | C4 | C3 | H7 | 166.2° | 173.3° |
| O | C5 | C6 | C9 | 179.8° | 178.6° |
| O | C5 | C6 | N1 | 179.5° | 177.7° |
| O | C5 | C9 | C8 | 179.7° | 177.5° |
| O | C5 | C9 | C1 | 1.8° | 3.1° |
| O | C5 | C6 | H10 | 0.5° | 2.4° |
| C5 | O | C4 | H9 | 153.6° | 33.9° |
| C5 | O | C4 | H8 | 34.3° | 153.1° |
| C5 | C6 | N1 | H10 | 180.0° | 179.9° |
| C5 | C6 | N1 | C7 | 0.9° | 0.1° |
| C6 | C5 | C9 | C8 | 0.5° | 1.1° |
| C6 | C5 | C9 | C1 | 178.5° | 178.4° |
| C5 | C6 | N1 | C10 | 178.3° | 179.8° |
| C6 | N1 | C7 | C10 | 177.5° | 179.7° |
| C6 | N1 | C7 | C8 | 0.7° | 0.5° |
| N1 | C6 | C5 | C9 | 0.8° | 0.9° |
| C6 | N1 | C10 | O1 | 13.7° | 141.7° |
| C6 | N1 | C10 | C24 | 134.3° | 102.9° |
| C6 | N1 | C7 | H11 | 179.3° | 179.5° |
| C6 | N1 | C10 | H13 | 106.1° | 19.4° |
| N1 | C7 | C8 | H11 | 180.0° | 180.0° |
| N1 | C7 | C8 | C9 | 0.4° | 0.3° |
| C7 | N1 | C10 | O1 | 168.8° | 38.6° |
| C7 | N1 | C10 | C24 | 48.2° | 76.9° |
| N1 | C7 | C8 | H12 | 179.6° | 179.7° |
| C7 | N1 | C6 | H10 | 179.2° | 179.8° |
| C7 | N1 | C10 | H13 | 71.4° | 160.8° |
| C7 | C8 | C9 | H12 | 180.0° | 180.0° |
| C7 | C8 | C9 | C1 | 178.4° | 178.9° |
| C7 | C8 | C9 | C5 | 0.3° | 0.5° |
| C8 | C7 | N1 | C10 | 178.1° | 179.2° |
| C8 | C9 | C1 | C5 | 177.9° | 179.4° |
| C9 | C8 | C7 | H11 | 179.6° | 179.7° |
| C8 | C9 | C1 | H | 114.9° | 8.2° |
| C9 | C1 | N | C25 | 89.3° | 173.0° |
| C1 | C9 | C8 | H12 | 1.6° | 1.1° |
| C9 | C1 | C2 | H5 | 170.7° | 37.4° |
| C9 | C1 | C2 | H4 | 51.9° | 156.7° |
| C5 | C9 | C8 | H12 | 179.7° | 179.5° |
| C5 | C9 | C1 | H | 63.0° | 171.2° |
| C9 | C5 | C6 | H10 | 179.3° | 179.0° |
| N1 | C10 | O1 | C24 | 122.6° | 118.9° |
| N1 | C10 | O1 | H13 | 118.8° | 122.3° |
| N1 | C10 | O1 | C11 | 109.2° | 159.3° |
| N1 | C10 | C24 | C23 | 126.1° | 142.8° |
| N1 | C10 | C24 | H13 | 119.8° | 122.3° |
| N1 | C10 | C24 | O13 | 114.9° | 98.5° |
| C10 | N1 | C7 | H11 | 1.9° | 0.8° |
| C10 | N1 | C6 | H10 | 1.7° | 0.1° |
| N1 | C10 | C24 | H33 | 7.7° | 24.2° |
| C10 | O1 | C11 | C12 | 98.4° | 159.3° |
| C10 | O1 | C11 | C23 | 27.1° | 40.5° |
| O1 | C10 | C24 | C23 | 5.6° | 23.9° |
| O1 | C10 | C24 | H13 | 119.7° | 118.8° |
| O1 | C10 | C24 | O13 | 124.6° | 142.6° |
| C10 | O1 | C11 | H14 | 143.0° | 78.3° |
| O1 | C10 | C24 | H33 | 112.8° | 94.7° |
| O1 | C11 | C12 | C23 | 119.2° | 115.4° |
| O1 | C11 | C12 | H14 | 119.1° | 122.3° |
| O1 | C11 | C12 | O2 | 64.2° | 66.4° |
| O1 | C11 | C23 | H14 | 116.6° | 118.8° |
| O1 | C11 | C23 | O12 | 94.5° | 142.6° |
| O1 | C11 | C23 | C24 | 29.3° | 23.9° |
| C11 | O1 | C10 | C24 | 13.4° | 40.5° |
| C11 | O1 | C10 | H13 | 131.9° | 78.4° |
| O1 | C11 | C12 | H15 | 175.9° | 173.6° |
| O1 | C11 | C12 | H16 | 55.6° | 53.6° |
| O1 | C11 | C23 | H31 | 144.3° | 94.7° |
| C11 | C12 | O2 | H15 | 119.8° | 120.0° |
| C11 | C12 | O2 | H16 | 119.8° | 120.0° |
| C11 | C12 | O2 | P | 161.4° | 180.0° |
| C12 | C11 | C23 | H14 | 121.7° | 122.3° |
| C12 | C11 | C23 | O12 | 143.9° | 98.5° |
| C12 | C11 | C23 | C24 | 92.3° | 142.8° |
| C11 | C12 | H15 | H16 | 120.5° | 120.0° |
| C12 | C11 | C23 | H31 | 22.7° | 24.2° |
| C12 | O2 | P | O3 | 42.1° | 55.0° |
| C12 | O2 | P | O4 | 168.0° | 65.0° |
| C12 | O2 | P | O5 | 79.4° | 175.0° |
| O2 | C12 | C11 | C23 | 176.5° | 178.2° |
| O2 | C12 | C11 | H14 | 54.9° | 55.9° |
| O2 | C12 | H15 | H16 | 120.5° | 120.0° |
| O2 | P | O3 | O4 | 122.3° | 120.0° |
| O2 | P | O3 | O5 | 116.5° | 120.0° |
| O2 | P | O4 | O5 | 111.3° | 120.0° |
| O2 | P | O5 | P1 | 166.2° | 160.0° |
| O2 | P | O4 | H17 | 124.0° | 60.0° |
| P | O2 | C12 | H15 | 41.5° | 60.0° |
| P | O2 | C12 | H16 | 78.8° | 60.0° |
| O3 | P | O4 | O5 | 124.7° | 120.0° |
| O3 | P | O5 | P1 | 45.8° | 40.1° |
| O3 | P | O4 | H17 | 0.0° | 180.0° |
| O4 | P | O5 | P1 | 80.0° | 79.9° |
| P | O5 | P1 | O6 | 104.2° | 45.0° |
| P | O5 | P1 | O7 | 26.2° | 74.9° |
| P | O5 | P1 | O8 | 142.0° | 165.0° |
| O5 | P | O4 | H17 | 124.7° | 60.0° |
| O5 | P1 | O6 | O7 | 125.7° | 120.0° |
| O5 | P1 | O6 | O8 | 113.7° | 120.0° |
| O5 | P1 | O7 | O8 | 114.2° | 120.1° |
| O5 | P1 | O8 | C13 | 69.3° | 175.0° |
| O5 | P1 | O7 | H18 | 126.6° | 60.1° |
| O6 | P1 | O7 | O8 | 119.2° | 120.0° |
| O6 | P1 | O8 | C13 | 48.0° | 55.0° |
| O6 | P1 | O7 | H18 | 0.0° | 179.9° |
| O7 | P1 | O8 | C13 | 174.3° | 65.0° |
| P1 | O8 | C13 | C14 | 93.2° | 180.0° |
| P1 | O8 | C13 | H19 | 26.9° | 60.0° |
| P1 | O8 | C13 | H20 | 146.7° | 60.0° |
| O8 | P1 | O7 | H18 | 119.2° | 60.0° |
| O8 | C13 | C14 | H19 | 120.1° | 120.0° |
| O8 | C13 | C14 | H20 | 120.1° | 119.9° |
| O8 | C13 | C14 | O9 | 168.0° | 66.5° |
| O8 | C13 | C14 | C17 | 48.2° | 175.7° |
| O8 | C13 | H19 | H20 | 119.8° | 120.0° |
| O8 | C13 | C14 | H21 | 73.2° | 54.6° |
| C13 | C14 | O9 | C17 | 125.4° | 119.4° |
| C13 | C14 | O9 | H21 | 118.3° | 121.0° |
| C13 | C14 | O9 | C15 | 128.4° | 146.0° |
| C13 | C14 | C17 | C16 | 100.5° | 121.4° |
| C13 | C14 | C17 | H21 | 121.5° | 121.0° |
| C13 | C14 | C17 | O11 | 142.1° | 119.9° |
| C14 | C13 | H19 | H20 | 119.8° | 120.1° |
| C13 | C14 | C17 | H25 | 17.5° | 2.8° |
| C14 | O9 | C15 | C16 | 26.1° | 40.1° |
| O9 | C14 | C17 | C16 | 21.0° | 2.0° |
| O9 | C14 | C17 | H21 | 117.0° | 119.5° |
| O9 | C14 | C17 | O11 | 96.5° | 120.7° |
| C14 | O9 | C15 | N2 | 148.8° | 158.5° |
| O9 | C14 | C13 | H19 | 71.9° | 173.6° |
| O9 | C14 | C13 | H20 | 47.9° | 53.5° |
| C14 | O9 | C15 | H22 | 91.3° | 78.5° |
| O9 | C14 | C17 | H25 | 138.9° | 116.6° |
| O9 | C15 | C16 | N2 | 118.2° | 118.4° |
| O9 | C15 | C16 | H22 | 118.5° | 118.7° |
| O9 | C15 | C16 | O10 | 154.2° | 155.2° |
| O9 | C15 | C16 | C17 | 38.0° | 37.1° |
| C15 | O9 | C14 | C17 | 3.0° | 26.6° |
| O9 | C15 | N2 | H22 | 120.3° | 123.1° |
| O9 | C15 | N2 | C18 | 103.0° | 19.0° |
| O9 | C15 | N2 | C22 | 75.5° | 161.3° |
| C15 | O9 | C14 | H21 | 113.3° | 93.0° |
| O9 | C15 | C16 | H23 | 80.0° | 81.2° |
| C15 | C16 | O10 | C17 | 110.3° | 112.6° |
| C15 | C16 | O10 | H23 | 124.8° | 123.7° |
| C15 | C16 | C17 | H23 | 118.0° | 118.2° |
| C15 | C16 | C17 | C14 | 35.0° | 20.9° |
| C15 | C16 | C17 | O11 | 82.8° | 97.7° |
| C16 | C15 | N2 | H22 | 122.9° | 122.9° |
| C16 | C15 | N2 | C18 | 13.7° | 94.9° |
| C16 | C15 | N2 | C22 | 167.7° | 84.8° |
| C15 | C16 | C17 | H25 | 152.9° | 139.6° |
| C15 | C16 | O10 | H24 | 180.0° | 179.9° |
| O10 | C16 | C17 | H23 | 125.8° | 123.6° |
| O10 | C16 | C17 | C14 | 151.1° | 139.1° |
| O10 | C16 | C17 | O11 | 33.3° | 20.4° |
| O10 | C16 | C15 | N2 | 87.6° | 86.4° |
| O10 | C16 | C15 | H22 | 35.8° | 36.5° |
| O10 | C16 | C17 | H25 | 90.9° | 102.3° |
| C16 | C17 | C14 | O11 | 117.5° | 118.7° |
| C16 | C17 | C14 | H25 | 117.9° | 118.6° |
| C16 | C17 | O11 | H25 | 123.3° | 122.6° |
| C17 | C16 | C15 | N2 | 156.1° | 155.5° |
| C16 | C17 | C14 | H21 | 138.0° | 117.5° |
| C17 | C16 | C15 | H22 | 80.5° | 81.6° |
| C17 | C16 | O10 | H24 | 69.7° | 67.3° |
| C16 | C17 | O11 | H26 | 180.0° | 61.4° |
| C14 | C17 | O11 | H25 | 123.7° | 122.6° |
| C17 | C14 | C13 | H19 | 168.2° | 55.8° |
| C17 | C14 | C13 | H20 | 71.9° | 64.3° |
| C14 | C17 | C16 | H23 | 83.1° | 97.3° |
| C14 | C17 | O11 | H26 | 67.0° | 176.2° |
| O11 | C17 | C14 | H21 | 20.5° | 1.2° |
| O11 | C17 | C16 | H23 | 159.1° | 144.0° |
| C15 | N2 | C18 | C22 | 178.8° | 179.8° |
| C15 | N2 | C18 | N3 | 178.9° | 180.0° |
| C15 | N2 | C22 | N6 | 1.8° | 0.2° |
| C15 | N2 | C22 | C19 | 179.2° | 180.0° |
| N2 | C15 | C16 | H23 | 38.1° | 37.3° |
| C15 | N2 | C18 | H27 | 1.0° | 0.1° |
| N2 | C18 | N3 | H27 | 180.0° | 179.9° |
| N2 | C18 | N3 | C19 | 0.2° | 0.1° |
| C18 | N2 | C22 | N6 | 179.4° | 180.0° |
| C18 | N2 | C22 | C19 | 0.4° | 0.3° |
| C18 | N2 | C15 | H22 | 136.6° | 142.1° |
| C18 | N3 | C19 | C20 | 179.8° | 180.0° |
| N3 | C18 | N2 | C22 | 0.1° | 0.2° |
| C18 | N3 | C19 | C22 | 0.4° | 0.1° |
| N3 | C19 | C20 | C22 | 179.8° | 180.0° |
| N3 | C19 | C20 | N4 | 0.3° | 0.0° |
| N3 | C19 | C20 | N5 | 179.8° | 180.0° |
| N3 | C19 | C22 | N6 | 179.5° | 180.0° |
| N3 | C19 | C22 | N2 | 0.5° | 0.2° |
| C19 | N3 | C18 | H27 | 179.9° | 180.0° |
| C19 | C20 | N4 | N5 | 179.5° | 180.0° |
| C19 | C20 | N5 | C21 | 0.1° | 0.0° |
| C20 | C19 | C22 | N6 | 0.6° | 0.0° |
| C20 | C19 | C22 | N2 | 179.6° | 179.8° |
| C19 | C20 | N4 | H28 | 179.5° | 0.0° |
| C19 | C20 | N4 | H29 | 59.6° | 180.0° |
| N4 | C20 | N5 | C21 | 179.7° | 180.0° |
| N4 | C20 | C19 | C22 | 179.5° | 180.0° |
| C20 | N4 | H28 | H29 | 120.0° | 180.0° |
| C20 | N5 | C21 | N6 | 0.3° | 0.0° |
| N5 | C20 | C19 | C22 | 0.0° | 0.0° |
| N5 | C20 | N4 | H28 | 0.0° | 180.0° |
| N5 | C20 | N4 | H29 | 120.0° | 0.0° |
| C20 | N5 | C21 | H30 | 179.7° | 180.0° |
| N5 | C21 | N6 | H30 | 180.0° | 180.0° |
| N5 | C21 | N6 | C22 | 0.8° | 0.0° |
| C21 | N6 | C22 | N2 | 179.8° | 179.8° |
| C21 | N6 | C22 | C19 | 0.9° | 0.0° |
| N6 | C22 | N2 | C19 | 179.0° | 179.8° |
| C22 | N6 | C21 | H30 | 179.2° | 180.0° |
| C22 | N2 | C15 | H22 | 44.8° | 38.1° |
| C22 | N2 | C18 | H27 | 179.8° | 179.8° |
| C11 | C23 | O12 | C24 | 117.7° | 114.7° |
| C11 | C23 | O12 | H31 | 120.5° | 122.6° |
| C11 | C23 | C24 | H31 | 115.0° | 118.6° |
| C11 | C23 | C24 | C10 | 20.9° | 0.0° |
| C11 | C23 | C24 | O13 | 136.3° | 118.7° |
| C23 | C11 | C12 | H15 | 56.7° | 58.1° |
| C23 | C11 | C12 | H16 | 63.6° | 61.8° |
| C11 | C23 | C24 | H33 | 97.5° | 118.6° |
| C11 | C23 | O12 | H32 | 180.0° | 180.0° |
| O12 | C23 | C24 | H31 | 122.6° | 122.7° |
| O12 | C23 | C24 | C10 | 101.4° | 118.7° |
| O12 | C23 | C24 | O13 | 14.0° | 0.0° |
| O12 | C23 | C11 | H14 | 22.1° | 23.8° |
| O12 | C23 | C24 | H33 | 140.2° | 122.7° |
| C23 | C24 | C10 | O13 | 119.0° | 118.7° |
| C23 | C24 | C10 | H33 | 118.4° | 118.6° |
| C23 | C24 | O13 | H33 | 125.3° | 122.7° |
| C23 | C24 | C10 | H13 | 114.1° | 94.9° |
| C24 | C23 | C11 | H14 | 145.9° | 94.8° |
| C24 | C23 | O12 | H32 | 62.3° | 65.4° |
| C23 | C24 | O13 | H34 | 180.0° | 61.5° |
| C10 | C24 | O13 | H33 | 121.6° | 122.6° |
| C10 | C24 | C23 | H31 | 135.9° | 118.6° |
| C10 | C24 | O13 | H34 | 66.9° | 176.1° |
| O13 | C24 | C10 | H13 | 4.9° | 23.8° |
| O13 | C24 | C23 | H31 | 108.6° | 122.7° |
| N | C25 | O14 | N7 | 177.5° | 179.9° |
| N | C25 | N7 | C26 | 171.7° | 180.0° |
| C25 | N | C1 | H | 25.5° | 66.7° |
| C25 | N | C | H1 | 5.5° | 84.9° |
| C25 | N | C | H3 | 125.5° | 35.1° |
| C25 | N | C | H2 | 114.5° | 155.1° |
| N | C25 | N7 | H35 | 8.3° | 0.1° |
| O14 | C25 | N7 | C26 | 6.0° | 0.1° |
| O14 | C25 | N7 | H35 | 174.0° | 180.0° |
| C25 | N7 | C26 | H35 | 180.0° | 179.9° |
| C25 | N7 | C26 | C27 | 158.6° | 86.5° |
| C25 | N7 | C26 | C29 | 86.7° | 158.8° |
| C25 | N7 | C26 | H36 | 35.4° | 36.1° |
| N7 | C26 | C27 | C29 | 119.7° | 118.7° |
| N7 | C26 | C27 | H36 | 123.7° | 122.7° |
| N7 | C26 | C27 | O15 | 89.1° | 120.7° |
| N7 | C26 | C29 | C28 | 95.5° | 97.8° |
| N7 | C26 | C29 | H36 | 122.5° | 122.7° |
| N7 | C26 | C29 | F | 27.3° | 20.4° |
| N7 | C26 | C29 | F1 | 141.3° | 144.0° |
| N7 | C26 | C27 | H38 | 30.4° | 1.3° |
| N7 | C26 | C27 | H37 | 151.4° | 119.9° |
| C26 | C27 | O15 | H38 | 119.5° | 119.4° |
| C26 | C27 | O15 | H37 | 119.5° | 119.4° |
| C26 | C27 | O15 | C28 | 24.3° | 26.5° |
| C27 | C26 | C29 | C28 | 25.3° | 20.9° |
| C27 | C26 | C29 | H36 | 116.6° | 118.7° |
| C27 | C26 | C29 | F | 148.2° | 139.1° |
| C27 | C26 | C29 | F1 | 97.8° | 97.4° |
| C26 | C27 | H38 | H37 | 121.5° | 121.1° |
| C27 | C26 | N7 | H35 | 21.4° | 93.6° |
| C27 | O15 | C28 | C29 | 7.6° | 40.0° |
| O15 | C27 | C26 | C29 | 30.5° | 2.0° |
| O15 | C27 | C26 | H36 | 147.2° | 116.6° |
| O15 | C27 | H38 | H37 | 121.5° | 121.1° |
| C27 | O15 | C28 | H40 | 127.2° | 158.5° |
| C27 | O15 | C28 | H39 | 111.9° | 78.6° |
| O15 | C28 | C29 | H40 | 119.6° | 118.5° |
| O15 | C28 | C29 | H39 | 119.5° | 118.7° |
| O15 | C28 | C29 | C26 | 12.0° | 37.0° |
| O15 | C28 | C29 | F | 133.6° | 155.2° |
| O15 | C28 | C29 | F1 | 108.9° | 81.2° |
| C28 | O15 | C27 | H38 | 143.8° | 92.9° |
| C28 | O15 | C27 | H37 | 95.2° | 145.9° |
| O15 | C28 | H40 | H39 | 121.3° | 123.0° |
| C28 | C29 | C26 | F | 122.9° | 118.2° |
| C28 | C29 | C26 | F1 | 123.2° | 118.2° |
| C28 | C29 | F | F1 | 123.6° | 123.7° |
| C28 | C29 | C26 | H36 | 141.9° | 139.6° |
| C29 | C28 | H40 | H39 | 121.3° | 122.9° |
| C26 | C29 | F | F1 | 118.4° | 123.6° |
| C29 | C26 | C27 | H38 | 150.0° | 117.4° |
| C29 | C26 | C27 | H37 | 89.0° | 121.5° |
| C26 | C29 | C28 | H40 | 107.6° | 155.5° |
| C26 | C29 | C28 | H39 | 131.5° | 81.7° |
| C29 | C26 | N7 | H35 | 93.3° | 21.2° |
| F | C29 | C26 | H36 | 95.2° | 102.2° |
| F | C29 | C28 | H40 | 14.1° | 86.3° |
| F | C29 | C28 | H39 | 106.8° | 36.5° |
| F1 | C29 | C26 | H36 | 18.8° | 21.3° |
| F1 | C29 | C28 | H40 | 131.5° | 37.3° |
| F1 | C29 | C28 | H39 | 10.6° | 160.1° |
| H11 | C7 | C8 | H12 | 0.4° | 0.3° |
| H | C1 | C2 | H5 | 70.7° | 82.4° |
| H | C1 | C2 | H4 | 170.6° | 37.0° |
| H9 | C4 | C3 | H6 | 72.8° | 175.7° |
| H9 | C4 | C3 | H7 | 45.9° | 66.3° |
| H8 | C4 | C3 | H6 | 167.9° | 65.1° |
| H8 | C4 | C3 | H7 | 73.4° | 52.8° |
| H6 | C3 | C2 | H5 | 65.1° | 173.8° |
| H6 | C3 | C2 | H4 | 176.1° | 66.8° |
| H7 | C3 | C2 | H5 | 53.6° | 68.3° |
| H7 | C3 | C2 | H4 | 65.2° | 51.1° |
| H1 | C | H3 | H2 | 120.0° | 120.0° |
| H13 | C10 | C24 | H33 | 127.5° | 146.5° |
| H14 | C11 | C12 | H15 | 64.9° | 64.1° |
| H14 | C11 | C12 | H16 | 174.8° | 175.9° |
| H14 | C11 | C23 | H31 | 99.1° | 146.5° |
| H19 | C13 | C14 | H21 | 46.8° | 65.4° |
| H20 | C13 | C14 | H21 | 166.7° | 174.5° |
| H21 | C14 | C17 | H25 | 104.1° | 123.8° |
| H22 | C15 | C16 | H23 | 161.5° | 160.1° |
| H23 | C16 | C17 | H25 | 34.9° | 21.4° |
| H23 | C16 | O10 | H24 | 55.2° | 56.4° |
| H25 | C17 | O11 | H26 | 56.7° | 61.2° |
| H31 | C23 | C24 | H33 | 17.6° | 0.0° |
| H31 | C23 | O12 | H32 | 59.5° | 57.3° |
| H33 | C24 | O13 | H34 | 54.7° | 61.2° |
| H36 | C26 | C27 | H38 | 93.3° | 124.0° |
| H36 | C26 | C27 | H37 | 27.7° | 2.8° |
| H36 | C26 | N7 | H35 | 144.6° | 143.8° |
