A1IWN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C20 | sing | 1.43Å | 1.43Å | |
| F | C33 | sing | 1.40Å | 1.36Å | |
| C32 | C33 | sing | 1.54Å | 1.53Å | |
| C32 | O15 | sing | 1.44Å | 1.42Å | |
| C33 | C30 | sing | 1.55Å | 1.53Å | |
| C33 | F1 | sing | 1.40Å | 1.38Å | |
| O15 | C31 | sing | 1.44Å | 1.43Å | |
| O11 | C21 | sing | 1.43Å | 1.42Å | |
| C31 | C30 | sing | 1.54Å | 1.53Å | |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C30 | N7 | sing | 1.46Å | 1.46Å | |
| O7 | P1 | doub | 1.48Å | 1.52Å | |
| C19 | O9 | sing | 1.44Å | 1.40Å | |
| C19 | N2 | sing | 1.46Å | 1.45Å | |
| O3 | P | doub | 1.48Å | 1.47Å | |
| O14 | C29 | doub | 1.21Å | 1.22Å | |
| C21 | C18 | sing | 1.55Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C17 | O8 | sing | 1.43Å | 1.44Å | |
| O9 | C18 | sing | 1.44Å | 1.44Å | |
| N6 | C25 | doub | 1.32Å | 1.33Å | Aromatic |
| N6 | C26 | sing | 1.33Å | 1.34Å | Aromatic |
| N7 | C29 | sing | 1.35Å | 1.37Å | |
| P1 | O5 | sing | 1.61Å | 1.60Å | |
| P1 | O8 | sing | 1.61Å | 1.62Å | |
| P1 | O6 | sing | 1.61Å | 1.51Å | |
| C29 | N | sing | 1.35Å | 1.38Å | |
| C25 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| O5 | P | sing | 1.61Å | 1.60Å | |
| N2 | C26 | sing | 1.37Å | 1.37Å | Aromatic |
| N2 | C22 | sing | 1.36Å | 1.37Å | Aromatic |
| C16 | O2 | sing | 1.43Å | 1.46Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| P | O2 | sing | 1.61Å | 1.56Å | |
| P | O4 | sing | 1.61Å | 1.54Å | |
| C26 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.55Å | 1.53Å | |
| C27 | O12 | sing | 1.43Å | 1.42Å | |
| C27 | C15 | sing | 1.54Å | 1.53Å | |
| C28 | O13 | sing | 1.43Å | 1.42Å | |
| C28 | C14 | sing | 1.55Å | 1.53Å | |
| C15 | O1 | sing | 1.44Å | 1.44Å | |
| N5 | C24 | doub | 1.33Å | 1.35Å | Aromatic |
| N | C1 | sing | 1.47Å | 1.48Å | |
| N | C | sing | 1.46Å | 1.47Å | |
| C22 | N3 | doub | 1.30Å | 1.31Å | Aromatic |
| C1 | C9 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | N3 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| N1 | C12 | sing | 1.32Å | 1.35Å | Aromatic |
| N1 | C14 | sing | 1.47Å | 1.52Å | |
| C24 | N4 | sing | 1.38Å | 1.34Å | |
| C14 | O1 | sing | 1.44Å | 1.41Å | |
| O | C2 | sing | 1.43Å | 1.44Å | |
| O | C3 | sing | 1.36Å | 1.37Å | |
| C3 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| N7 | H17 | sing | 0.97Å | 1.00Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.08Å | 1.08Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å | |
| C10 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| O13 | H27 | sing | 0.97Å | 0.95Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| O12 | H29 | sing | 0.97Å | 0.95Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| O6 | H33 | sing | 0.97Å | 0.95Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| O11 | H38 | sing | 0.97Å | 0.95Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| O10 | H40 | sing | 0.97Å | 0.95Å | |
| C19 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.08Å | 1.08Å | |
| C25 | H43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C20 | C19 | 111.8° | 110.5° |
| O10 | C20 | C21 | 110.0° | 110.4° |
| O10 | C20 | H39 | 112.0° | 110.5° |
| C20 | O10 | H40 | 109.5° | 114.0° |
| F | C33 | C32 | 114.1° | 110.6° |
| F | C33 | C30 | 110.9° | 110.5° |
| F | C33 | F1 | 99.7° | 110.5° |
| C33 | C32 | O15 | 104.2° | 104.8° |
| C32 | C33 | C30 | 105.5° | 104.1° |
| C32 | C33 | F1 | 114.0° | 110.5° |
| C33 | C32 | H12 | 110.8° | 110.4° |
| C33 | C32 | H13 | 110.8° | 110.4° |
| C32 | O15 | C31 | 106.6° | 105.3° |
| O15 | C32 | H12 | 110.8° | 110.4° |
| O15 | C32 | H13 | 110.8° | 110.4° |
| C30 | C33 | F1 | 112.8° | 110.5° |
| C33 | C30 | C31 | 103.0° | 104.1° |
| C33 | C30 | N7 | 113.0° | 110.5° |
| C33 | C30 | H16 | 108.8° | 110.5° |
| O15 | C31 | C30 | 107.2° | 104.8° |
| O15 | C31 | H14 | 110.0° | 110.4° |
| O15 | C31 | H15 | 110.0° | 110.3° |
| O11 | C21 | C20 | 103.7° | 110.9° |
| O11 | C21 | C18 | 111.2° | 110.9° |
| O11 | C21 | H37 | 113.6° | 110.8° |
| C21 | O11 | H38 | 109.5° | 114.0° |
| C31 | C30 | N7 | 113.3° | 110.5° |
| C30 | C31 | H14 | 110.1° | 110.4° |
| C30 | C31 | H15 | 110.0° | 110.4° |
| C31 | C30 | H16 | 108.7° | 110.5° |
| C19 | C20 | C21 | 101.1° | 104.2° |
| C20 | C19 | O9 | 105.7° | 107.4° |
| C20 | C19 | N2 | 113.2° | 109.9° |
| C19 | C20 | H39 | 110.7° | 110.5° |
| C20 | C19 | H41 | 108.7° | 109.9° |
| C20 | C21 | C18 | 103.8° | 102.1° |
| C20 | C21 | H37 | 112.0° | 110.9° |
| C21 | C20 | H39 | 110.7° | 110.6° |
| C30 | N7 | C29 | 120.4° | 120.0° |
| N7 | C30 | H16 | 109.7° | 110.6° |
| C30 | N7 | H17 | 119.8° | 120.0° |
| O7 | P1 | O5 | 107.3° | 109.4° |
| O7 | P1 | O8 | 105.8° | 109.5° |
| O7 | P1 | O6 | 115.9° | 109.5° |
| O9 | C19 | N2 | 109.5° | 109.7° |
| C19 | O9 | C18 | 105.8° | 106.9° |
| O9 | C19 | H41 | 110.2° | 109.9° |
| C19 | N2 | C26 | 123.8° | 126.3° |
| C19 | N2 | C22 | 130.3° | 126.3° |
| N2 | C19 | H41 | 109.5° | 110.0° |
| O3 | P | O5 | 110.8° | 109.5° |
| O3 | P | O2 | 113.3° | 109.5° |
| O3 | P | O4 | 111.6° | 109.5° |
| O14 | C29 | N7 | 121.6° | 120.0° |
| O14 | C29 | N | 121.5° | 120.0° |
| C21 | C18 | C17 | 115.5° | 110.6° |
| C21 | C18 | O9 | 107.4° | 103.6° |
| C21 | C18 | H36 | 108.3° | 110.7° |
| C18 | C21 | H37 | 111.8° | 110.9° |
| C18 | C17 | O8 | 109.6° | 109.5° |
| C17 | C18 | O9 | 107.3° | 110.6° |
| C18 | C17 | H34 | 109.5° | 109.4° |
| C18 | C17 | H35 | 109.5° | 109.5° |
| C17 | C18 | H36 | 108.8° | 110.6° |
| C17 | O8 | P1 | 112.9° | 123.0° |
| O8 | C17 | H34 | 109.4° | 109.4° |
| O8 | C17 | H35 | 109.4° | 109.5° |
| O9 | C18 | H36 | 109.5° | 110.6° |
| C25 | N6 | C26 | 111.1° | 120.6° |
| N6 | C25 | N5 | 128.7° | 122.4° |
| N6 | C25 | H43 | 115.6° | 118.8° |
| N6 | C26 | N2 | 127.2° | 134.9° |
| N6 | C26 | C23 | 127.0° | 119.1° |
| N7 | C29 | N | 116.8° | 119.9° |
| C29 | N7 | H17 | 119.8° | 120.0° |
| O5 | P1 | O8 | 111.0° | 109.5° |
| O5 | P1 | O6 | 111.0° | 109.5° |
| P1 | O5 | P | 132.4° | 134.0° |
| O8 | P1 | O6 | 105.7° | 109.5° |
| P1 | O6 | H33 | 109.5° | 114.0° |
| C29 | N | C1 | 117.7° | 120.0° |
| C29 | N | C | 121.6° | 120.0° |
| C25 | N5 | C24 | 119.1° | 121.2° |
| N5 | C25 | H43 | 115.7° | 118.8° |
| O5 | P | O2 | 96.4° | 109.5° |
| O5 | P | O4 | 111.3° | 109.4° |
| C26 | N2 | C22 | 105.8° | 107.4° |
| N2 | C26 | C23 | 105.8° | 106.0° |
| N2 | C22 | N3 | 114.1° | 110.0° |
| N2 | C22 | H42 | 123.0° | 125.0° |
| O2 | C16 | C15 | 109.7° | 109.5° |
| C16 | O2 | P | 120.6° | 123.0° |
| O2 | C16 | H31 | 109.4° | 109.4° |
| O2 | C16 | H32 | 109.4° | 109.5° |
| C16 | C15 | C27 | 117.6° | 109.8° |
| C16 | C15 | O1 | 110.7° | 109.9° |
| C16 | C15 | H30 | 107.6° | 110.0° |
| C15 | C16 | H31 | 109.4° | 109.5° |
| C15 | C16 | H32 | 109.4° | 109.5° |
| O2 | P | O4 | 112.6° | 109.5° |
| P | O4 | H7 | 109.5° | 114.0° |
| C26 | C23 | C24 | 116.6° | 118.2° |
| C26 | C23 | N3 | 110.7° | 107.1° |
| C28 | C27 | O12 | 110.0° | 110.5° |
| C28 | C27 | C15 | 103.9° | 104.1° |
| C27 | C28 | O13 | 112.2° | 110.9° |
| C27 | C28 | C14 | 103.5° | 102.1° |
| C27 | C28 | H26 | 110.6° | 110.9° |
| C28 | C27 | H28 | 109.5° | 110.5° |
| O12 | C27 | C15 | 112.6° | 110.5° |
| O12 | C27 | H28 | 111.0° | 110.4° |
| C27 | O12 | H29 | 109.5° | 114.0° |
| C27 | C15 | O1 | 104.8° | 107.3° |
| C15 | C27 | H28 | 109.5° | 110.6° |
| C27 | C15 | H30 | 107.4° | 109.8° |
| O13 | C28 | C14 | 107.3° | 110.9° |
| O13 | C28 | H26 | 112.3° | 110.8° |
| C28 | O13 | H27 | 109.5° | 114.0° |
| C28 | C14 | N1 | 111.5° | 110.6° |
| C28 | C14 | O1 | 108.7° | 103.5° |
| C28 | C14 | H25 | 108.4° | 110.8° |
| C14 | C28 | H26 | 110.6° | 110.9° |
| C15 | O1 | C14 | 109.5° | 107.0° |
| O1 | C15 | H30 | 108.4° | 109.9° |
| N5 | C24 | C23 | 117.5° | 118.4° |
| N5 | C24 | N4 | 118.4° | 120.8° |
| C1 | N | C | 118.2° | 120.0° |
| N | C1 | C9 | 113.4° | 109.5° |
| N | C1 | C2 | 113.3° | 109.5° |
| N | C1 | H3 | 107.2° | 109.4° |
| N | C | H18 | 109.5° | 109.5° |
| N | C | H19 | 109.4° | 109.4° |
| N | C | H20 | 109.5° | 109.4° |
| C22 | N3 | C23 | 103.6° | 109.4° |
| N3 | C22 | H42 | 123.0° | 125.0° |
| C9 | C1 | C2 | 109.0° | 109.5° |
| C1 | C9 | C10 | 121.9° | 120.8° |
| C1 | C9 | C13 | 120.1° | 120.8° |
| C9 | C1 | H3 | 106.8° | 109.5° |
| C1 | C2 | O | 112.7° | 109.5° |
| C2 | C1 | H3 | 106.7° | 109.4° |
| C1 | C2 | H8 | 108.6° | 109.5° |
| C1 | C2 | H9 | 108.7° | 109.5° |
| C24 | C23 | N3 | 132.6° | 134.7° |
| C23 | C24 | N4 | 124.2° | 120.8° |
| C9 | C10 | C11 | 120.1° | 119.2° |
| C10 | C9 | C13 | 118.0° | 118.4° |
| C9 | C10 | H24 | 119.9° | 120.4° |
| C10 | C11 | N1 | 120.9° | 120.7° |
| C10 | C11 | H23 | 119.5° | 119.7° |
| C11 | C10 | H24 | 120.0° | 120.4° |
| C9 | C13 | C12 | 120.0° | 119.1° |
| C9 | C13 | H21 | 120.0° | 120.4° |
| C11 | N1 | C12 | 120.1° | 121.8° |
| C11 | N1 | C14 | 118.1° | 119.2° |
| N1 | C11 | H23 | 119.6° | 119.6° |
| C13 | C12 | N1 | 120.9° | 120.8° |
| C12 | C13 | H21 | 120.0° | 120.5° |
| C13 | C12 | H22 | 119.5° | 119.5° |
| C12 | N1 | C14 | 121.8° | 119.1° |
| N1 | C12 | H22 | 119.6° | 119.7° |
| N1 | C14 | O1 | 109.6° | 110.6° |
| N1 | C14 | H25 | 108.6° | 110.6° |
| C24 | N4 | H10 | 109.5° | 120.0° |
| C24 | N4 | H11 | 109.5° | 120.0° |
| O1 | C14 | H25 | 110.1° | 110.6° |
| C2 | O | C3 | 117.0° | 117.0° |
| O | C2 | H8 | 108.7° | 109.4° |
| O | C2 | H9 | 108.7° | 109.4° |
| O | C3 | C8 | 118.1° | 120.1° |
| O | C3 | C4 | 121.3° | 120.1° |
| C8 | C3 | C4 | 120.5° | 119.9° |
| C3 | C8 | C7 | 119.1° | 119.9° |
| C3 | C8 | H2 | 120.5° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C3 | C4 | H6 | 120.2° | 120.0° |
| C8 | C7 | C6 | 120.5° | 120.1° |
| C8 | C7 | H1 | 119.7° | 120.0° |
| C7 | C8 | H2 | 120.5° | 120.1° |
| C4 | C5 | C6 | 120.3° | 120.1° |
| C4 | C5 | H4 | 119.8° | 120.0° |
| C5 | C4 | H6 | 120.2° | 120.0° |
| C7 | C6 | C5 | 120.0° | 120.1° |
| C6 | C7 | H1 | 119.7° | 120.0° |
| C7 | C6 | H5 | 120.0° | 119.9° |
| C6 | C5 | H4 | 119.8° | 119.9° |
| C5 | C6 | H5 | 120.0° | 120.0° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H10 | N4 | H11 | 109.5° | 120.0° |
| H12 | C32 | H13 | 109.5° | 110.4° |
| H14 | C31 | H15 | 109.5° | 110.4° |
| H18 | C | H19 | 109.5° | 109.5° |
| H18 | C | H20 | 109.5° | 109.5° |
| H19 | C | H20 | 109.5° | 109.4° |
| H31 | C16 | H32 | 109.5° | 109.5° |
| H34 | C17 | H35 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C20 | C21 | O11 | 22.8° | 21.3° |
| O10 | C20 | C19 | C21 | 117.0° | 118.6° |
| O10 | C20 | C19 | H39 | 125.7° | 122.6° |
| O10 | C20 | C21 | H39 | 124.3° | 122.6° |
| O10 | C20 | C19 | O9 | 77.2° | 116.7° |
| O10 | C20 | C19 | N2 | 163.0° | 124.0° |
| O10 | C20 | C21 | C18 | 93.6° | 139.5° |
| O10 | C20 | C21 | H37 | 145.7° | 102.3° |
| O10 | C20 | C19 | H41 | 41.1° | 2.9° |
| F | C33 | C32 | C30 | 122.0° | 118.7° |
| F | C33 | C32 | F1 | 113.7° | 122.7° |
| F | C33 | C32 | O15 | 149.6° | 142.7° |
| F | C33 | C30 | F1 | 110.9° | 122.6° |
| F | C33 | C30 | C31 | 131.8° | 118.7° |
| F | C33 | C30 | N7 | 105.6° | 122.6° |
| F | C33 | C32 | H12 | 30.4° | 23.9° |
| F | C33 | C32 | H13 | 91.2° | 98.5° |
| F | C33 | C30 | H16 | 16.6° | 0.2° |
| C33 | C32 | O15 | H12 | 119.2° | 118.9° |
| C33 | C32 | O15 | H13 | 119.2° | 118.8° |
| C32 | C33 | C30 | F1 | 125.1° | 118.6° |
| C33 | C32 | O15 | C31 | 37.8° | 40.5° |
| C32 | C33 | C30 | C31 | 7.8° | 0.0° |
| C32 | C33 | C30 | N7 | 130.4° | 118.6° |
| C33 | C32 | H12 | H13 | 122.4° | 122.3° |
| C32 | C33 | C30 | H16 | 107.5° | 118.6° |
| O15 | C32 | C33 | C30 | 27.6° | 23.9° |
| O15 | C32 | C33 | F1 | 96.7° | 94.7° |
| C32 | O15 | C31 | C30 | 33.4° | 40.5° |
| O15 | C32 | H12 | H13 | 122.4° | 122.3° |
| C32 | O15 | C31 | H14 | 86.3° | 78.3° |
| C32 | O15 | C31 | H15 | 153.0° | 159.4° |
| C33 | C30 | C31 | O15 | 14.6° | 24.0° |
| C33 | C30 | C31 | N7 | 122.4° | 118.7° |
| C33 | C30 | C31 | H16 | 115.4° | 118.6° |
| C33 | C30 | N7 | H16 | 121.6° | 122.7° |
| C33 | C30 | N7 | C29 | 77.1° | 155.0° |
| C30 | C33 | C32 | H12 | 91.6° | 94.9° |
| C30 | C33 | C32 | H13 | 146.8° | 142.8° |
| C33 | C30 | C31 | H14 | 105.0° | 94.8° |
| C33 | C30 | C31 | H15 | 134.2° | 142.8° |
| C33 | C30 | N7 | H17 | 102.9° | 25.0° |
| F1 | C33 | C30 | C31 | 117.3° | 118.7° |
| F1 | C33 | C30 | N7 | 5.3° | 0.0° |
| F1 | C33 | C32 | H12 | 144.1° | 146.5° |
| F1 | C33 | C32 | H13 | 22.5° | 24.2° |
| F1 | C33 | C30 | H16 | 127.4° | 122.8° |
| O15 | C31 | C30 | H14 | 119.6° | 118.8° |
| O15 | C31 | C30 | H15 | 119.6° | 118.8° |
| O15 | C31 | C30 | N7 | 107.8° | 94.6° |
| C31 | O15 | C32 | H12 | 81.4° | 78.3° |
| C31 | O15 | C32 | H13 | 156.9° | 159.3° |
| O15 | C31 | H14 | H15 | 121.1° | 122.3° |
| O15 | C31 | C30 | H16 | 130.0° | 142.6° |
| O11 | C21 | C20 | C19 | 141.1° | 97.3° |
| O11 | C21 | C20 | C18 | 116.3° | 118.2° |
| O11 | C21 | C20 | H37 | 122.9° | 123.6° |
| O11 | C21 | C18 | H37 | 128.1° | 123.6° |
| O11 | C21 | C18 | C17 | 5.5° | 37.3° |
| O11 | C21 | C18 | O9 | 114.1° | 81.3° |
| O11 | C21 | C18 | H36 | 127.7° | 160.2° |
| O11 | C21 | C20 | H39 | 101.6° | 143.9° |
| C31 | C30 | N7 | H16 | 121.7° | 122.7° |
| C31 | C30 | N7 | C29 | 166.3° | 90.4° |
| C30 | C31 | H14 | H15 | 121.1° | 122.3° |
| C31 | C30 | N7 | H17 | 13.7° | 89.7° |
| C19 | C20 | C21 | H39 | 117.4° | 118.7° |
| C20 | C19 | O9 | N2 | 122.2° | 119.4° |
| C20 | C19 | O9 | H41 | 117.2° | 119.5° |
| C20 | C19 | N2 | H41 | 121.4° | 121.1° |
| C19 | C20 | C21 | C18 | 24.7° | 20.9° |
| C20 | C19 | O9 | C18 | 39.0° | 26.3° |
| C20 | C19 | N2 | C26 | 120.5° | 85.0° |
| C20 | C19 | N2 | C22 | 55.0° | 95.3° |
| C19 | C20 | C21 | H37 | 96.0° | 139.1° |
| C19 | C20 | O10 | H40 | 180.0° | 180.0° |
| C21 | C20 | C19 | O9 | 39.8° | 1.9° |
| C21 | C20 | C19 | N2 | 80.0° | 117.4° |
| C20 | C21 | C18 | H37 | 120.9° | 118.2° |
| C20 | C21 | C18 | C17 | 116.5° | 155.5° |
| C20 | C21 | C18 | O9 | 3.2° | 36.9° |
| C20 | C21 | C18 | H36 | 121.4° | 81.6° |
| C20 | C21 | O11 | H38 | 180.0° | 67.3° |
| C21 | C20 | O10 | H40 | 68.5° | 65.3° |
| C21 | C20 | C19 | H41 | 158.1° | 121.4° |
| C30 | N7 | C29 | O14 | 2.0° | 0.0° |
| C30 | N7 | C29 | H17 | 180.0° | 180.0° |
| C30 | N7 | C29 | N | 177.2° | 180.0° |
| N7 | C30 | C31 | H14 | 132.6° | 146.5° |
| N7 | C30 | C31 | H15 | 11.8° | 24.2° |
| O7 | P1 | O8 | C17 | 15.7° | 55.0° |
| O7 | P1 | O5 | O8 | 115.2° | 120.0° |
| O7 | P1 | O5 | O6 | 127.5° | 120.0° |
| O7 | P1 | O8 | O6 | 123.4° | 120.0° |
| O7 | P1 | O5 | P | 81.2° | 45.0° |
| O7 | P1 | O6 | H33 | 0.0° | 180.0° |
| O9 | C19 | N2 | H41 | 121.0° | 121.0° |
| C19 | O9 | C18 | C21 | 22.0° | 39.8° |
| C19 | O9 | C18 | C17 | 146.7° | 158.4° |
| O9 | C19 | N2 | C26 | 121.9° | 157.2° |
| O9 | C19 | N2 | C22 | 62.6° | 22.6° |
| C19 | O9 | C18 | H36 | 95.3° | 78.8° |
| O9 | C19 | C20 | H39 | 157.2° | 120.7° |
| N2 | C19 | O9 | C18 | 83.2° | 93.2° |
| C19 | N2 | C26 | N6 | 2.8° | 0.2° |
| C19 | N2 | C26 | C22 | 176.5° | 179.8° |
| C19 | N2 | C26 | C23 | 177.7° | 179.8° |
| C19 | N2 | C22 | N3 | 177.9° | 179.8° |
| N2 | C19 | C20 | H39 | 37.3° | 1.4° |
| C19 | N2 | C22 | H42 | 2.1° | 0.2° |
| O3 | P | O5 | P1 | 83.4° | 40.0° |
| O3 | P | O5 | O2 | 117.9° | 120.0° |
| O3 | P | O5 | O4 | 124.8° | 120.0° |
| O3 | P | O2 | C16 | 32.8° | 54.9° |
| O3 | P | O2 | O4 | 127.8° | 120.0° |
| O3 | P | O4 | H7 | 0.0° | 179.9° |
| O14 | C29 | N7 | N | 179.2° | 180.0° |
| O14 | C29 | N | C1 | 13.1° | 4.9° |
| O14 | C29 | N | C | 174.9° | 175.0° |
| O14 | C29 | N7 | H17 | 178.0° | 180.0° |
| C21 | C18 | C17 | O9 | 119.7° | 114.2° |
| C21 | C18 | C17 | H36 | 121.9° | 123.0° |
| C21 | C18 | C17 | O8 | 146.7° | 177.2° |
| C21 | C18 | O9 | H36 | 117.3° | 118.6° |
| C21 | C18 | C17 | H34 | 93.3° | 57.2° |
| C21 | C18 | C17 | H35 | 26.6° | 62.8° |
| C18 | C21 | O11 | H38 | 69.1° | 180.0° |
| C18 | C21 | C20 | H39 | 142.1° | 97.9° |
| C18 | C17 | O8 | H34 | 120.1° | 119.9° |
| C18 | C17 | O8 | H35 | 120.0° | 120.1° |
| C17 | C18 | O9 | H36 | 117.9° | 122.8° |
| C18 | C17 | O8 | P1 | 166.7° | 180.0° |
| C18 | C17 | H34 | H35 | 120.0° | 120.0° |
| C17 | C18 | C21 | H37 | 122.6° | 86.3° |
| O8 | C17 | C18 | O9 | 93.6° | 68.6° |
| C17 | O8 | P1 | O5 | 131.8° | 174.9° |
| C17 | O8 | P1 | O6 | 107.7° | 65.0° |
| O8 | C17 | H34 | H35 | 119.9° | 120.0° |
| O8 | C17 | C18 | H36 | 24.8° | 54.2° |
| O9 | C18 | C17 | H34 | 26.4° | 171.5° |
| O9 | C18 | C17 | H35 | 146.3° | 51.4° |
| O9 | C18 | C21 | H37 | 117.7° | 155.1° |
| C18 | O9 | C19 | H41 | 156.2° | 145.8° |
| N6 | C25 | N5 | H43 | 180.0° | 179.9° |
| C25 | N6 | C26 | N2 | 179.0° | 179.9° |
| C25 | N6 | C26 | C23 | 0.4° | 0.0° |
| N6 | C25 | N5 | C24 | 1.8° | 0.0° |
| C26 | N6 | C25 | N5 | 1.0° | 0.0° |
| N6 | C26 | N2 | C23 | 179.5° | 180.0° |
| N6 | C26 | N2 | C22 | 179.2° | 180.0° |
| N6 | C26 | C23 | C24 | 0.9° | 0.0° |
| N6 | C26 | C23 | N3 | 179.9° | 180.0° |
| C26 | N6 | C25 | H43 | 179.0° | 179.9° |
| N7 | C29 | N | C1 | 166.1° | 175.1° |
| N7 | C29 | N | C | 4.3° | 5.0° |
| C29 | N7 | C30 | H16 | 44.5° | 32.3° |
| O5 | P1 | O8 | O6 | 120.5° | 120.0° |
| P1 | O5 | P | O2 | 158.7° | 160.1° |
| P1 | O5 | P | O4 | 41.4° | 80.0° |
| O5 | P1 | O6 | H33 | 122.7° | 60.0° |
| O8 | P1 | O5 | P | 163.6° | 165.0° |
| O8 | P1 | O6 | H33 | 116.8° | 60.0° |
| P1 | O8 | C17 | H34 | 73.2° | 60.1° |
| P1 | O8 | C17 | H35 | 46.7° | 59.9° |
| O6 | P1 | O5 | P | 46.3° | 75.0° |
| C29 | N | C1 | C | 162.4° | 179.9° |
| C29 | N | C1 | C9 | 78.7° | 114.1° |
| C29 | N | C1 | C2 | 156.4° | 125.9° |
| C29 | N | C1 | H3 | 39.0° | 6.0° |
| N | C29 | N7 | H17 | 2.8° | 0.0° |
| C29 | N | C | H18 | 180.0° | 84.8° |
| C29 | N | C | H19 | 60.0° | 155.2° |
| C29 | N | C | H20 | 60.0° | 35.3° |
| C25 | N5 | C24 | C23 | 1.0° | 0.0° |
| C25 | N5 | C24 | N4 | 178.1° | 180.0° |
| O5 | P | O2 | C16 | 83.1° | 175.0° |
| O5 | P | O2 | O4 | 116.3° | 120.0° |
| O5 | P | O4 | H7 | 124.3° | 60.0° |
| C26 | N2 | C22 | N3 | 1.8° | 0.0° |
| N2 | C26 | C23 | C24 | 178.6° | 180.0° |
| N2 | C26 | C23 | N3 | 0.4° | 0.0° |
| C26 | N2 | C19 | H41 | 0.9° | 36.2° |
| C26 | N2 | C22 | H42 | 178.2° | 179.9° |
| C22 | N2 | C26 | C23 | 1.3° | 0.0° |
| N2 | C22 | N3 | H42 | 180.0° | 179.9° |
| N2 | C22 | N3 | C23 | 1.5° | 0.0° |
| C22 | N2 | C19 | H41 | 176.4° | 143.6° |
| O2 | C16 | C15 | H31 | 120.0° | 119.9° |
| O2 | C16 | C15 | H32 | 120.0° | 120.0° |
| C16 | O2 | P | O4 | 160.6° | 65.0° |
| O2 | C16 | C15 | C27 | 174.4° | 175.0° |
| O2 | C16 | C15 | O1 | 54.0° | 67.2° |
| O2 | C16 | C15 | H30 | 64.3° | 54.0° |
| O2 | C16 | H31 | H32 | 119.9° | 120.0° |
| C15 | C16 | O2 | P | 162.4° | 179.9° |
| C16 | C15 | C27 | C28 | 92.5° | 121.5° |
| C16 | C15 | C27 | O12 | 148.5° | 119.9° |
| C16 | C15 | C27 | O1 | 123.5° | 119.5° |
| C16 | C15 | C27 | H30 | 121.4° | 121.1° |
| C16 | C15 | O1 | H30 | 117.9° | 121.2° |
| C16 | C15 | O1 | C14 | 99.0° | 145.9° |
| C16 | C15 | C27 | H28 | 24.4° | 2.8° |
| C15 | C16 | H31 | H32 | 119.9° | 120.0° |
| O2 | P | O4 | H7 | 128.7° | 59.9° |
| P | O2 | C16 | H31 | 77.6° | 60.1° |
| P | O2 | C16 | H32 | 42.3° | 60.0° |
| C26 | C23 | C24 | N5 | 0.1° | 0.0° |
| C26 | C23 | N3 | C22 | 0.6° | 0.0° |
| C26 | C23 | C24 | N3 | 178.8° | 180.0° |
| C26 | C23 | C24 | N4 | 179.2° | 180.0° |
| C28 | C27 | O12 | C15 | 115.4° | 114.7° |
| C28 | C27 | O12 | H28 | 121.3° | 122.5° |
| C28 | C27 | C15 | H28 | 116.9° | 118.7° |
| C27 | C28 | O13 | C14 | 113.0° | 112.7° |
| C27 | C28 | O13 | H26 | 125.3° | 123.6° |
| C27 | C28 | C14 | H26 | 118.4° | 118.2° |
| C28 | C27 | C15 | O1 | 31.0° | 2.0° |
| C27 | C28 | C14 | N1 | 126.3° | 155.5° |
| C27 | C28 | C14 | O1 | 5.4° | 37.0° |
| C27 | C28 | C14 | H25 | 114.2° | 81.5° |
| C27 | C28 | O13 | H27 | 180.0° | 67.3° |
| C28 | C27 | O12 | H29 | 180.0° | 61.4° |
| C28 | C27 | C15 | H30 | 146.1° | 117.4° |
| O12 | C27 | C15 | H28 | 124.1° | 122.6° |
| O12 | C27 | C28 | O13 | 16.4° | 20.4° |
| O12 | C27 | C28 | C14 | 99.0° | 97.8° |
| O12 | C27 | C15 | O1 | 88.1° | 120.7° |
| O12 | C27 | C28 | H26 | 142.6° | 144.0° |
| O12 | C27 | C15 | H30 | 27.1° | 1.3° |
| C15 | C27 | C28 | O13 | 137.2° | 139.1° |
| C15 | C27 | C28 | C14 | 21.8° | 20.9° |
| C27 | C15 | O1 | H30 | 114.4° | 119.4° |
| C27 | C15 | O1 | C14 | 28.8° | 26.5° |
| C15 | C27 | C28 | H26 | 96.6° | 97.3° |
| C15 | C27 | O12 | H29 | 64.6° | 176.2° |
| C27 | C15 | C16 | H31 | 54.4° | 55.0° |
| C27 | C15 | C16 | H32 | 65.5° | 65.1° |
| O13 | C28 | C14 | H26 | 122.7° | 123.6° |
| O13 | C28 | C14 | N1 | 114.8° | 86.3° |
| O13 | C28 | C14 | O1 | 124.3° | 155.2° |
| O13 | C28 | C14 | H25 | 4.7° | 36.6° |
| O13 | C28 | C27 | H28 | 105.9° | 102.1° |
| C28 | C14 | O1 | C15 | 14.7° | 40.1° |
| C28 | C14 | N1 | C11 | 59.5° | 75.8° |
| C28 | C14 | N1 | C12 | 120.4° | 104.5° |
| C28 | C14 | N1 | O1 | 120.4° | 114.0° |
| C28 | C14 | N1 | H25 | 119.4° | 123.1° |
| C28 | C14 | O1 | H25 | 118.5° | 118.7° |
| C14 | C28 | O13 | H27 | 67.0° | 180.0° |
| C14 | C28 | C27 | H28 | 138.8° | 139.7° |
| C15 | O1 | C14 | N1 | 107.4° | 158.5° |
| C15 | O1 | C14 | H25 | 133.2° | 78.6° |
| O1 | C15 | C27 | H28 | 147.8° | 116.7° |
| O1 | C15 | C16 | H31 | 66.0° | 172.9° |
| O1 | C15 | C16 | H32 | 174.1° | 52.8° |
| N5 | C24 | C23 | N4 | 179.1° | 180.0° |
| N5 | C24 | C23 | N3 | 178.9° | 180.0° |
| N5 | C24 | N4 | H10 | 0.0° | 180.0° |
| N5 | C24 | N4 | H11 | 120.0° | 0.0° |
| C24 | N5 | C25 | H43 | 178.3° | 179.9° |
| N | C1 | C9 | C2 | 127.2° | 120.0° |
| N | C1 | C9 | H3 | 117.9° | 120.0° |
| N | C1 | C2 | H3 | 117.7° | 119.9° |
| N | C1 | C9 | C10 | 7.9° | 50.5° |
| N | C1 | C9 | C13 | 173.4° | 130.1° |
| N | C1 | C2 | O | 147.9° | 64.9° |
| N | C1 | C2 | H8 | 27.5° | 55.0° |
| N | C1 | C2 | H9 | 91.6° | 175.0° |
| C1 | N | C | H18 | 18.3° | 95.1° |
| C1 | N | C | H19 | 138.3° | 24.9° |
| C1 | N | C | H20 | 101.8° | 144.8° |
| C | N | C1 | C9 | 83.8° | 65.8° |
| C | N | C1 | C2 | 41.1° | 54.2° |
| C | N | C1 | H3 | 158.5° | 174.1° |
| N | C | H18 | H19 | 120.0° | 120.0° |
| N | C | H18 | H20 | 120.0° | 120.0° |
| N | C | H19 | H20 | 120.0° | 119.9° |
| C22 | N3 | C23 | C24 | 179.4° | 180.0° |
| C9 | C1 | C2 | H3 | 115.0° | 120.0° |
| C1 | C9 | C10 | C13 | 178.7° | 179.4° |
| C1 | C9 | C10 | C11 | 179.3° | 179.7° |
| C1 | C9 | C13 | C12 | 178.4° | 180.0° |
| C9 | C1 | C2 | O | 84.8° | 175.0° |
| C9 | C1 | C2 | H8 | 154.7° | 65.1° |
| C9 | C1 | C2 | H9 | 35.7° | 55.0° |
| C1 | C9 | C13 | H21 | 1.6° | 0.0° |
| C1 | C9 | C10 | H24 | 0.7° | 0.6° |
| C2 | C1 | C9 | C10 | 119.3° | 69.6° |
| C2 | C1 | C9 | C13 | 59.4° | 109.8° |
| C1 | C2 | O | H8 | 120.5° | 120.0° |
| C1 | C2 | O | H9 | 120.5° | 120.1° |
| C1 | C2 | O | C3 | 167.9° | 180.0° |
| C1 | C2 | H8 | H9 | 118.5° | 120.1° |
| C23 | C24 | N4 | H10 | 179.0° | 0.0° |
| C23 | C24 | N4 | H11 | 60.9° | 180.0° |
| N3 | C23 | C24 | N4 | 2.0° | 0.0° |
| C23 | N3 | C22 | H42 | 178.5° | 179.9° |
| C9 | C10 | C11 | H24 | 180.0° | 179.7° |
| C9 | C10 | C11 | N1 | 0.9° | 0.0° |
| C10 | C9 | C13 | C12 | 0.3° | 0.6° |
| C10 | C9 | C1 | H3 | 125.9° | 170.5° |
| C10 | C9 | C13 | H21 | 179.7° | 179.4° |
| C9 | C10 | C11 | H23 | 179.1° | 180.0° |
| C11 | C10 | C9 | C13 | 0.6° | 0.3° |
| C10 | C11 | N1 | H23 | 180.0° | 180.0° |
| C10 | C11 | N1 | C12 | 0.3° | 0.0° |
| C10 | C11 | N1 | C14 | 179.8° | 179.7° |
| C9 | C13 | C12 | H21 | 180.0° | 180.0° |
| C9 | C13 | C12 | N1 | 0.9° | 0.6° |
| C13 | C9 | C1 | H3 | 55.5° | 10.1° |
| C9 | C13 | C12 | H22 | 179.1° | 179.5° |
| C13 | C9 | C10 | H24 | 179.4° | 180.0° |
| C11 | N1 | C12 | C13 | 0.6° | 0.3° |
| C11 | N1 | C12 | C14 | 179.9° | 179.7° |
| C11 | N1 | C14 | O1 | 179.9° | 38.3° |
| C11 | N1 | C12 | H22 | 179.4° | 179.8° |
| N1 | C11 | C10 | H24 | 179.1° | 179.7° |
| C11 | N1 | C14 | H25 | 59.9° | 161.1° |
| C13 | C12 | N1 | H22 | 180.0° | 180.0° |
| C13 | C12 | N1 | C14 | 179.3° | 180.0° |
| C12 | N1 | C14 | O1 | 0.0° | 141.5° |
| N1 | C12 | C13 | H21 | 179.1° | 179.4° |
| C12 | N1 | C11 | H23 | 179.7° | 180.0° |
| C12 | N1 | C14 | H25 | 120.3° | 18.6° |
| N1 | C14 | O1 | H25 | 119.4° | 122.8° |
| C14 | N1 | C12 | H22 | 0.7° | 0.0° |
| C14 | N1 | C11 | H23 | 0.2° | 0.3° |
| N1 | C14 | C28 | H26 | 7.9° | 37.2° |
| C24 | N4 | H10 | H11 | 120.0° | 180.0° |
| O1 | C14 | C28 | H26 | 113.0° | 81.2° |
| C14 | O1 | C15 | H30 | 143.2° | 92.9° |
| C2 | O | C3 | C8 | 142.1° | 180.0° |
| C2 | O | C3 | C4 | 37.9° | 0.1° |
| O | C2 | C1 | H3 | 30.2° | 55.0° |
| O | C2 | H8 | H9 | 118.6° | 119.9° |
| O | C3 | C8 | C4 | 180.0° | 180.0° |
| O | C3 | C8 | C7 | 179.2° | 180.0° |
| O | C3 | C4 | C5 | 178.8° | 179.7° |
| O | C3 | C8 | H2 | 0.8° | 0.0° |
| O | C3 | C4 | H6 | 1.2° | 0.2° |
| C3 | O | C2 | H8 | 71.7° | 60.0° |
| C3 | O | C2 | H9 | 47.4° | 59.9° |
| C3 | C8 | C7 | H2 | 180.0° | 180.0° |
| C8 | C3 | C4 | C5 | 1.2° | 0.3° |
| C3 | C8 | C7 | C6 | 0.1° | 0.1° |
| C3 | C8 | C7 | H1 | 179.9° | 179.7° |
| C8 | C3 | C4 | H6 | 178.8° | 179.8° |
| C4 | C3 | C8 | C7 | 0.8° | 0.0° |
| C3 | C4 | C5 | H6 | 180.0° | 179.5° |
| C3 | C4 | C5 | C6 | 0.8° | 0.5° |
| C4 | C3 | C8 | H2 | 179.2° | 180.0° |
| C3 | C4 | C5 | H4 | 179.3° | 179.9° |
| C8 | C7 | C6 | H1 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 0.5° | 0.2° |
| C8 | C7 | C6 | H5 | 179.4° | 179.7° |
| C4 | C5 | C6 | C7 | 0.1° | 0.5° |
| C4 | C5 | C6 | H4 | 180.0° | 179.4° |
| C4 | C5 | C6 | H5 | 179.9° | 179.4° |
| C7 | C6 | C5 | H5 | 180.0° | 179.9° |
| C6 | C7 | C8 | H2 | 179.9° | 179.9° |
| C7 | C6 | C5 | H4 | 179.9° | 179.9° |
| C5 | C6 | C7 | H1 | 179.4° | 180.0° |
| C6 | C5 | C4 | H6 | 179.3° | 180.0° |
| H1 | C7 | C8 | H2 | 0.1° | 0.3° |
| H1 | C7 | C6 | H5 | 0.6° | 0.1° |
| H3 | C1 | C2 | H8 | 90.3° | 174.9° |
| H3 | C1 | C2 | H9 | 150.7° | 65.0° |
| H4 | C5 | C6 | H5 | 0.1° | 0.0° |
| H4 | C5 | C4 | H6 | 0.7° | 0.5° |
| H14 | C31 | C30 | H16 | 10.3° | 23.8° |
| H15 | C31 | C30 | H16 | 110.4° | 98.6° |
| H16 | C30 | N7 | H17 | 135.4° | 147.7° |
| H18 | C | H19 | H20 | 120.0° | 120.0° |
| H21 | C13 | C12 | H22 | 0.9° | 0.5° |
| H23 | C11 | C10 | H24 | 0.9° | 0.3° |
| H25 | C14 | C28 | H26 | 127.4° | 160.2° |
| H26 | C28 | O13 | H27 | 54.7° | 56.3° |
| H26 | C28 | C27 | H28 | 20.4° | 21.5° |
| H28 | C27 | O12 | H29 | 58.7° | 61.1° |
| H28 | C27 | C15 | H30 | 97.0° | 123.9° |
| H30 | C15 | C16 | H31 | 175.7° | 66.0° |
| H30 | C15 | C16 | H32 | 55.7° | 173.9° |
| H34 | C17 | C18 | H36 | 144.8° | 65.7° |
| H35 | C17 | C18 | H36 | 95.2° | 174.2° |
| H36 | C18 | C21 | H37 | 0.5° | 36.6° |
| H37 | C21 | O11 | H38 | 58.1° | 56.3° |
| H37 | C21 | C20 | H39 | 21.4° | 20.3° |
| H39 | C20 | O10 | H40 | 55.1° | 57.4° |
| H39 | C20 | C19 | H41 | 84.6° | 119.8° |
