A1JZ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C18 | O3 | sing | 1.43Å | 1.44Å | |
| C17 | O2 | sing | 1.44Å | 1.45Å | |
| C17 | C29 | sing | 1.54Å | 1.53Å | |
| O13 | C29 | sing | 1.43Å | 1.42Å | |
| O4 | P | doub | 1.48Å | 1.48Å | |
| O5 | P | sing | 1.61Å | 1.52Å | |
| O2 | C16 | sing | 1.44Å | 1.42Å | |
| O3 | P | sing | 1.61Å | 1.60Å | |
| O14 | C30 | sing | 1.43Å | 1.42Å | |
| P | O6 | sing | 1.61Å | 1.59Å | |
| C29 | C30 | sing | 1.55Å | 1.53Å | |
| C30 | C16 | sing | 1.55Å | 1.53Å | |
| C16 | N2 | sing | 1.47Å | 1.47Å | |
| O6 | P1 | sing | 1.61Å | 1.59Å | |
| N2 | C15 | sing | 1.34Å | 1.38Å | Aromatic |
| N2 | C31 | doub | 1.31Å | 1.35Å | Aromatic |
| C15 | C14 | doub | 1.35Å | 1.35Å | Aromatic |
| O7 | P1 | doub | 1.48Å | 1.48Å | |
| O8 | P1 | sing | 1.61Å | 1.53Å | |
| P1 | O9 | sing | 1.61Å | 1.60Å | |
| C31 | C32 | sing | 1.51Å | 1.48Å | |
| C31 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C14 | N1 | sing | 1.37Å | 1.38Å | Aromatic |
| O9 | C19 | sing | 1.43Å | 1.44Å | |
| N1 | C1 | sing | 1.46Å | 1.49Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | O10 | sing | 1.44Å | 1.44Å | |
| C20 | C23 | sing | 1.54Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C13 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| O12 | C23 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| O10 | C21 | sing | 1.44Å | 1.42Å | |
| C23 | C22 | sing | 1.55Å | 1.53Å | |
| O | C6 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.41Å | |
| C21 | C22 | sing | 1.55Å | 1.54Å | |
| C21 | N3 | sing | 1.46Å | 1.46Å | |
| C22 | O11 | sing | 1.43Å | 1.42Å | |
| F1 | C7 | sing | 1.40Å | 1.36Å | |
| C6 | N | sing | 1.35Å | 1.35Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| N7 | C27 | doub | 1.32Å | 1.34Å | Aromatic |
| N7 | C28 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C28 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C24 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | F | sing | 1.40Å | 1.36Å | |
| C27 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C28 | C25 | doub | 1.41Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.55Å | 1.52Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C11 | O1 | sing | 1.44Å | 1.44Å | |
| C24 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| N6 | C26 | doub | 1.33Å | 1.35Å | Aromatic |
| C25 | N4 | sing | 1.35Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.41Å | 1.41Å | Aromatic |
| O1 | C10 | sing | 1.43Å | 1.43Å | |
| C26 | N5 | sing | 1.38Å | 1.34Å | |
| C9 | C10 | sing | 1.54Å | 1.50Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| O5 | H9 | sing | 0.97Å | 0.95Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| C13 | H23 | sing | 1.08Å | 1.08Å | |
| C14 | H24 | sing | 1.08Å | 1.08Å | |
| C15 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| O11 | H32 | sing | 0.97Å | 0.95Å | |
| O12 | H33 | sing | 0.97Å | 0.95Å | |
| O13 | H38 | sing | 0.97Å | 0.95Å | |
| O14 | H39 | sing | 0.97Å | 0.95Å | |
| O8 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | O3 | 110.2° | 109.4° |
| C18 | C17 | O2 | 109.5° | 109.9° |
| C18 | C17 | C29 | 116.2° | 110.0° |
| C18 | C17 | H2 | 108.2° | 110.0° |
| C17 | C18 | H26 | 109.3° | 109.5° |
| C17 | C18 | H27 | 109.3° | 109.5° |
| C18 | O3 | P | 122.9° | 123.0° |
| O3 | C18 | H26 | 109.3° | 109.5° |
| O3 | C18 | H27 | 109.3° | 109.4° |
| O2 | C17 | C29 | 105.7° | 107.4° |
| C17 | O2 | C16 | 110.1° | 106.9° |
| O2 | C17 | H2 | 109.1° | 109.9° |
| C17 | C29 | O13 | 110.8° | 110.5° |
| C17 | C29 | C30 | 102.3° | 104.2° |
| C29 | C17 | H2 | 108.0° | 109.6° |
| C17 | C29 | H7 | 110.1° | 110.5° |
| O13 | C29 | C30 | 111.5° | 110.7° |
| O13 | C29 | H7 | 111.7° | 110.5° |
| C29 | O13 | H38 | 109.5° | 113.9° |
| O4 | P | O5 | 115.2° | 109.5° |
| O4 | P | O3 | 111.5° | 109.5° |
| O4 | P | O6 | 111.5° | 109.5° |
| O5 | P | O3 | 106.7° | 109.5° |
| O5 | P | O6 | 107.0° | 109.5° |
| P | O5 | H9 | 109.5° | 114.0° |
| O2 | C16 | C30 | 106.4° | 103.6° |
| O2 | C16 | N2 | 108.3° | 110.6° |
| O2 | C16 | H1 | 110.4° | 110.6° |
| O3 | P | O6 | 104.2° | 109.5° |
| O14 | C30 | C29 | 111.6° | 110.9° |
| O14 | C30 | C16 | 110.5° | 110.9° |
| O14 | C30 | H8 | 112.2° | 110.8° |
| C30 | O14 | H39 | 109.5° | 114.0° |
| P | O6 | P1 | 133.4° | 134.0° |
| C29 | C30 | C16 | 101.0° | 102.1° |
| C29 | C30 | H8 | 110.6° | 110.9° |
| C30 | C29 | H7 | 110.1° | 110.4° |
| C30 | C16 | N2 | 113.3° | 110.6° |
| C30 | C16 | H1 | 108.8° | 110.7° |
| C16 | C30 | H8 | 110.6° | 110.9° |
| C16 | N2 | C15 | 125.1° | 125.4° |
| C16 | N2 | C31 | 126.3° | 125.4° |
| N2 | C16 | H1 | 109.6° | 110.5° |
| O6 | P1 | O7 | 111.5° | 109.4° |
| O6 | P1 | O8 | 107.0° | 109.5° |
| O6 | P1 | O9 | 104.0° | 109.4° |
| C15 | N2 | C31 | 108.5° | 109.3° |
| N2 | C15 | C14 | 107.3° | 108.0° |
| N2 | C15 | H25 | 126.3° | 126.0° |
| N2 | C31 | C32 | 128.9° | 125.6° |
| N2 | C31 | N1 | 107.5° | 108.7° |
| C15 | C14 | N1 | 107.3° | 106.8° |
| C15 | C14 | H24 | 126.4° | 126.6° |
| C14 | C15 | H25 | 126.4° | 126.0° |
| O7 | P1 | O8 | 115.2° | 109.5° |
| O7 | P1 | O9 | 111.6° | 109.5° |
| O8 | P1 | O9 | 106.9° | 109.5° |
| P1 | O8 | H29 | 109.5° | 114.1° |
| P1 | O9 | C19 | 125.4° | 123.0° |
| C32 | C31 | N1 | 123.5° | 125.7° |
| C31 | C32 | H40 | 109.5° | 109.4° |
| C31 | C32 | H41 | 109.5° | 109.5° |
| C31 | C32 | H42 | 109.4° | 109.5° |
| C31 | N1 | C14 | 109.3° | 107.2° |
| C31 | N1 | C1 | 126.4° | 126.4° |
| C14 | N1 | C1 | 124.3° | 126.4° |
| N1 | C14 | H24 | 126.4° | 126.6° |
| O9 | C19 | C20 | 109.3° | 109.5° |
| O9 | C19 | H30 | 109.5° | 109.5° |
| O9 | C19 | H31 | 109.5° | 109.5° |
| N1 | C1 | C | 110.1° | 109.5° |
| N1 | C1 | C2 | 106.4° | 109.4° |
| N1 | C1 | H | 109.1° | 109.5° |
| C19 | C20 | O10 | 109.7° | 109.9° |
| C19 | C20 | C23 | 115.7° | 109.9° |
| C20 | C19 | H30 | 109.5° | 109.5° |
| C20 | C19 | H31 | 109.5° | 109.5° |
| C19 | C20 | H3 | 108.9° | 109.9° |
| O10 | C20 | C23 | 104.0° | 107.3° |
| C20 | O10 | C21 | 109.1° | 107.0° |
| O10 | C20 | H3 | 109.8° | 109.9° |
| C20 | C23 | O12 | 111.0° | 110.5° |
| C20 | C23 | C22 | 102.5° | 104.2° |
| C23 | C20 | H3 | 108.7° | 110.0° |
| C20 | C23 | H6 | 110.1° | 110.5° |
| C | C1 | C2 | 113.6° | 109.5° |
| C | C1 | H | 108.7° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H28 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C2 | C13 | 120.5° | 119.9° |
| C1 | C2 | C3 | 121.2° | 120.0° |
| C2 | C1 | H | 108.8° | 109.4° |
| C2 | C13 | C12 | 121.1° | 120.1° |
| C13 | C2 | C3 | 118.3° | 120.1° |
| C2 | C13 | H23 | 119.4° | 120.0° |
| C13 | C12 | C5 | 120.2° | 119.9° |
| C13 | C12 | H22 | 119.9° | 120.1° |
| C12 | C13 | H23 | 119.4° | 119.9° |
| O12 | C23 | C22 | 111.4° | 110.5° |
| O12 | C23 | H6 | 111.6° | 110.5° |
| C23 | O12 | H33 | 109.5° | 114.0° |
| C2 | C3 | C4 | 121.1° | 120.1° |
| C2 | C3 | H12 | 119.4° | 119.9° |
| C12 | C5 | C4 | 119.1° | 119.9° |
| C12 | C5 | N | 120.1° | 120.1° |
| C5 | C12 | H22 | 119.9° | 120.0° |
| O10 | C21 | C22 | 107.7° | 103.5° |
| O10 | C21 | N3 | 108.4° | 110.6° |
| O10 | C21 | H4 | 109.4° | 110.7° |
| C23 | C22 | C21 | 103.0° | 102.1° |
| C23 | C22 | O11 | 111.2° | 110.9° |
| C23 | C22 | H5 | 110.2° | 110.9° |
| C22 | C23 | H6 | 110.0° | 110.5° |
| O | C6 | N | 126.2° | 120.0° |
| O | C6 | C7 | 118.7° | 120.0° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C4 | C3 | H12 | 119.4° | 120.0° |
| C3 | C4 | H13 | 119.9° | 120.0° |
| C4 | C5 | N | 120.8° | 120.1° |
| C5 | C4 | H13 | 119.9° | 120.0° |
| C5 | N | C6 | 127.0° | 120.0° |
| C5 | N | H14 | 116.5° | 120.0° |
| C22 | C21 | N3 | 114.6° | 110.6° |
| C21 | C22 | O11 | 110.2° | 110.9° |
| C22 | C21 | H4 | 107.8° | 110.6° |
| C21 | C22 | H5 | 110.1° | 110.9° |
| C21 | N3 | C28 | 127.5° | 126.2° |
| C21 | N3 | C24 | 126.8° | 126.3° |
| N3 | C21 | H4 | 108.8° | 110.6° |
| O11 | C22 | H5 | 111.8° | 110.8° |
| C22 | O11 | H32 | 109.5° | 114.0° |
| F1 | C7 | C6 | 108.2° | 109.4° |
| F1 | C7 | C8 | 110.6° | 109.5° |
| F1 | C7 | F | 105.5° | 109.5° |
| N | C6 | C7 | 115.1° | 120.0° |
| C6 | N | H14 | 116.5° | 120.0° |
| C6 | C7 | C8 | 112.9° | 109.5° |
| C6 | C7 | F | 108.6° | 109.5° |
| C27 | N7 | C28 | 111.1° | 120.6° |
| N7 | C27 | N6 | 128.8° | 122.5° |
| N7 | C27 | H37 | 115.6° | 118.8° |
| N7 | C28 | N3 | 127.5° | 134.9° |
| N7 | C28 | C25 | 126.7° | 119.1° |
| C28 | N3 | C24 | 105.7° | 107.4° |
| N3 | C28 | C25 | 105.8° | 106.0° |
| N3 | C24 | N4 | 114.1° | 110.0° |
| N3 | C24 | H34 | 123.0° | 125.0° |
| C8 | C7 | F | 110.8° | 109.5° |
| C7 | C8 | C11 | 112.6° | 111.1° |
| C7 | C8 | C9 | 115.1° | 111.1° |
| C7 | C8 | H15 | 109.3° | 111.0° |
| C27 | N6 | C26 | 118.8° | 121.2° |
| N6 | C27 | H37 | 115.6° | 118.7° |
| C28 | C25 | N4 | 110.7° | 107.2° |
| C28 | C25 | C26 | 116.9° | 118.2° |
| C11 | C8 | C9 | 101.1° | 100.9° |
| C8 | C11 | O1 | 108.1° | 105.1° |
| C11 | C8 | H15 | 109.3° | 111.1° |
| C8 | C11 | H21 | 109.8° | 110.3° |
| C8 | C11 | H20 | 109.8° | 110.3° |
| C8 | C9 | C10 | 102.8° | 102.3° |
| C9 | C8 | H15 | 109.1° | 111.2° |
| C8 | C9 | H16 | 111.1° | 110.9° |
| C8 | C9 | H17 | 111.1° | 110.8° |
| C11 | O1 | C10 | 108.5° | 110.0° |
| O1 | C11 | H21 | 109.8° | 110.3° |
| O1 | C11 | H20 | 109.8° | 110.3° |
| C24 | N4 | C25 | 103.7° | 109.4° |
| N4 | C24 | H34 | 122.9° | 125.0° |
| N6 | C26 | C25 | 117.7° | 118.5° |
| N6 | C26 | N5 | 118.5° | 120.7° |
| N4 | C25 | C26 | 132.4° | 134.7° |
| C25 | C26 | N5 | 123.8° | 120.8° |
| O1 | C10 | C9 | 106.2° | 107.6° |
| O1 | C10 | H19 | 110.3° | 109.8° |
| O1 | C10 | H18 | 110.2° | 109.9° |
| C26 | N5 | H36 | 109.5° | 120.0° |
| C26 | N5 | H35 | 109.5° | 120.0° |
| C10 | C9 | H16 | 111.1° | 110.9° |
| C10 | C9 | H17 | 111.1° | 110.9° |
| C9 | C10 | H19 | 110.3° | 109.8° |
| C9 | C10 | H18 | 110.3° | 109.9° |
| H16 | C9 | H17 | 109.5° | 110.8° |
| H19 | C10 | H18 | 109.5° | 109.8° |
| H21 | C11 | H20 | 109.4° | 110.4° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H40 | C32 | H41 | 109.5° | 109.5° |
| H40 | C32 | H42 | 109.5° | 109.5° |
| H41 | C32 | H42 | 109.5° | 109.5° |
| H11 | C | H28 | 109.5° | 109.5° |
| H11 | C | H10 | 109.4° | 109.5° |
| H28 | C | H10 | 109.4° | 109.5° |
| H26 | C18 | H27 | 109.4° | 109.5° |
| H36 | N5 | H35 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | O3 | H26 | 120.1° | 120.0° |
| C17 | C18 | O3 | H27 | 120.1° | 120.0° |
| C18 | C17 | O2 | C29 | 125.8° | 119.6° |
| C18 | C17 | O2 | H2 | 118.2° | 121.2° |
| C18 | C17 | C29 | H2 | 121.8° | 121.1° |
| C18 | C17 | C29 | O13 | 90.7° | 119.7° |
| C18 | C17 | O2 | C16 | 134.0° | 145.9° |
| C17 | C18 | O3 | P | 167.4° | 180.0° |
| C18 | C17 | C29 | C30 | 150.4° | 121.5° |
| C17 | C18 | H26 | H27 | 119.6° | 120.1° |
| C18 | C17 | C29 | H7 | 33.3° | 2.9° |
| O3 | C18 | C17 | O2 | 107.5° | 66.5° |
| O3 | C18 | C17 | C29 | 12.0° | 175.5° |
| C18 | O3 | P | O4 | 102.7° | 55.0° |
| C18 | O3 | P | O5 | 23.8° | 65.0° |
| C18 | O3 | P | O6 | 136.9° | 175.0° |
| O3 | C18 | C17 | H2 | 133.7° | 54.7° |
| O3 | C18 | H26 | H27 | 119.7° | 120.0° |
| O2 | C17 | C29 | H2 | 116.7° | 119.4° |
| O2 | C17 | C29 | O13 | 147.7° | 120.8° |
| O2 | C17 | C29 | C30 | 28.8° | 1.9° |
| C17 | O2 | C16 | C30 | 16.2° | 39.9° |
| C17 | O2 | C16 | N2 | 105.9° | 158.5° |
| C17 | O2 | C16 | H1 | 134.1° | 78.7° |
| O2 | C17 | C18 | H26 | 12.6° | 173.6° |
| O2 | C17 | C18 | H27 | 132.3° | 53.4° |
| O2 | C17 | C29 | H7 | 88.3° | 116.6° |
| C17 | C29 | O13 | C30 | 113.2° | 114.8° |
| C17 | C29 | O13 | H7 | 123.2° | 122.6° |
| C29 | C17 | O2 | C16 | 8.1° | 26.3° |
| C17 | C29 | C30 | O14 | 80.4° | 139.1° |
| C17 | C29 | C30 | H7 | 117.1° | 118.6° |
| C17 | C29 | C30 | C16 | 37.0° | 20.9° |
| C17 | C29 | C30 | H8 | 154.0° | 97.3° |
| C29 | C17 | C18 | H26 | 132.2° | 55.6° |
| C29 | C17 | C18 | H27 | 108.1° | 64.6° |
| C17 | C29 | O13 | H38 | 180.0° | 180.0° |
| O13 | C29 | C30 | O14 | 38.0° | 20.4° |
| O13 | C29 | C30 | H7 | 124.5° | 122.7° |
| O13 | C29 | C30 | C16 | 155.4° | 97.8° |
| O13 | C29 | C30 | H8 | 87.6° | 144.0° |
| O13 | C29 | C17 | H2 | 31.0° | 1.4° |
| O4 | P | O5 | O3 | 124.3° | 120.0° |
| O4 | P | O5 | O6 | 124.6° | 120.0° |
| O4 | P | O3 | O6 | 120.4° | 120.0° |
| O4 | P | O6 | P1 | 97.1° | 40.0° |
| O4 | P | O5 | H9 | 0.0° | 180.0° |
| O5 | P | O3 | O6 | 113.0° | 120.0° |
| O5 | P | O6 | P1 | 29.7° | 79.9° |
| O2 | C16 | C30 | O14 | 84.8° | 155.1° |
| O2 | C16 | C30 | C29 | 33.4° | 37.0° |
| O2 | C16 | C30 | N2 | 118.9° | 118.6° |
| O2 | C16 | C30 | H1 | 118.9° | 118.6° |
| O2 | C16 | N2 | H1 | 120.4° | 122.9° |
| O2 | C16 | N2 | C15 | 22.7° | 21.4° |
| O2 | C16 | N2 | C31 | 157.4° | 158.9° |
| O2 | C16 | C30 | H8 | 150.5° | 81.2° |
| C16 | O2 | C17 | H2 | 107.8° | 92.9° |
| O3 | P | O6 | P1 | 142.5° | 160.0° |
| O3 | P | O5 | H9 | 124.3° | 60.0° |
| P | O3 | C18 | H26 | 47.3° | 60.0° |
| P | O3 | C18 | H27 | 72.5° | 60.1° |
| O14 | C30 | C29 | C16 | 117.4° | 118.2° |
| O14 | C30 | C29 | H8 | 125.6° | 123.6° |
| O14 | C30 | C16 | H8 | 124.8° | 123.6° |
| O14 | C30 | C16 | N2 | 156.4° | 86.3° |
| O14 | C30 | C16 | H1 | 34.1° | 36.5° |
| O14 | C30 | C29 | H7 | 162.5° | 102.3° |
| P | O6 | P1 | O7 | 65.5° | 45.0° |
| P | O6 | P1 | O8 | 61.3° | 75.0° |
| P | O6 | P1 | O9 | 174.2° | 165.0° |
| O6 | P | O5 | H9 | 124.6° | 60.0° |
| C29 | C30 | C16 | H8 | 117.0° | 118.2° |
| C29 | C30 | C16 | N2 | 85.5° | 155.6° |
| C29 | C30 | C16 | H1 | 152.3° | 81.6° |
| C30 | C29 | C17 | H2 | 87.9° | 117.5° |
| C30 | C29 | O13 | H38 | 66.7° | 65.2° |
| C29 | C30 | O14 | H39 | 180.0° | 67.3° |
| C30 | C16 | N2 | H1 | 121.8° | 122.9° |
| C30 | C16 | N2 | C15 | 95.1° | 92.8° |
| C30 | C16 | N2 | C31 | 84.9° | 86.8° |
| C16 | C30 | C29 | H7 | 80.1° | 139.5° |
| C16 | C30 | O14 | H39 | 68.6° | 180.0° |
| C16 | N2 | C15 | C31 | 180.0° | 179.7° |
| C16 | N2 | C15 | C14 | 180.0° | 180.0° |
| C16 | N2 | C31 | C32 | 0.0° | 0.3° |
| C16 | N2 | C31 | N1 | 179.9° | 179.8° |
| C16 | N2 | C15 | H25 | 0.0° | 0.0° |
| N2 | C16 | C30 | H8 | 31.6° | 37.3° |
| O6 | P1 | O7 | O8 | 122.1° | 120.0° |
| O6 | P1 | O7 | O9 | 115.7° | 119.9° |
| O6 | P1 | O8 | O9 | 110.9° | 120.0° |
| O6 | P1 | O9 | C19 | 11.3° | 175.0° |
| O6 | P1 | O8 | H29 | 124.5° | 60.0° |
| N2 | C15 | C14 | H25 | 180.0° | 180.0° |
| C15 | N2 | C31 | C32 | 179.9° | 180.0° |
| C15 | N2 | C31 | N1 | 0.1° | 0.4° |
| N2 | C15 | C14 | N1 | 0.1° | 0.0° |
| N2 | C15 | C14 | H24 | 179.9° | 179.7° |
| C15 | N2 | C16 | H1 | 143.1° | 144.3° |
| C31 | N2 | C15 | C14 | 0.0° | 0.3° |
| N2 | C31 | C32 | N1 | 179.9° | 179.5° |
| N2 | C31 | N1 | C14 | 0.2° | 0.4° |
| N2 | C31 | N1 | C1 | 179.6° | 179.5° |
| C31 | N2 | C15 | H25 | 180.0° | 179.7° |
| C31 | N2 | C16 | H1 | 36.9° | 36.0° |
| N2 | C31 | C32 | H40 | 89.9° | 90.5° |
| N2 | C31 | C32 | H41 | 150.0° | 29.5° |
| N2 | C31 | C32 | H42 | 30.0° | 149.5° |
| C15 | C14 | N1 | C31 | 0.2° | 0.2° |
| C15 | C14 | N1 | H24 | 180.0° | 179.7° |
| C15 | C14 | N1 | C1 | 179.6° | 179.7° |
| O7 | P1 | O8 | O9 | 124.6° | 120.0° |
| O7 | P1 | O9 | C19 | 109.0° | 55.0° |
| O7 | P1 | O8 | H29 | 0.0° | 180.0° |
| O8 | P1 | O9 | C19 | 124.2° | 65.0° |
| P1 | O9 | C19 | C20 | 145.6° | 180.0° |
| P1 | O9 | C19 | H30 | 25.6° | 60.0° |
| P1 | O9 | C19 | H31 | 94.5° | 60.0° |
| O9 | P1 | O8 | H29 | 124.6° | 60.0° |
| C32 | C31 | N1 | C14 | 179.9° | 179.9° |
| C32 | C31 | N1 | C1 | 0.4° | 0.0° |
| C31 | C32 | H40 | H41 | 120.0° | 120.0° |
| C31 | C32 | H40 | H42 | 120.0° | 120.0° |
| C31 | C32 | H41 | H42 | 120.0° | 120.0° |
| C31 | N1 | C14 | C1 | 179.4° | 180.0° |
| C31 | N1 | C1 | C | 169.1° | 120.0° |
| C31 | N1 | C1 | C2 | 67.4° | 120.0° |
| C31 | N1 | C1 | H | 49.8° | 0.0° |
| C31 | N1 | C14 | H24 | 179.8° | 180.0° |
| N1 | C31 | C32 | H40 | 90.0° | 90.1° |
| N1 | C31 | C32 | H41 | 30.0° | 150.0° |
| N1 | C31 | C32 | H42 | 150.0° | 29.9° |
| C14 | N1 | C1 | C | 11.6° | 59.9° |
| C14 | N1 | C1 | C2 | 111.9° | 60.1° |
| C14 | N1 | C1 | H | 130.8° | 180.0° |
| N1 | C14 | C15 | H25 | 179.9° | 180.0° |
| O9 | C19 | C20 | H30 | 120.0° | 120.0° |
| O9 | C19 | C20 | H31 | 120.0° | 120.0° |
| O9 | C19 | C20 | O10 | 129.4° | 66.4° |
| O9 | C19 | C20 | C23 | 12.2° | 175.7° |
| O9 | C19 | H30 | H31 | 120.1° | 120.0° |
| O9 | C19 | C20 | H3 | 110.5° | 54.6° |
| N1 | C1 | C | C2 | 119.2° | 120.0° |
| N1 | C1 | C | H | 119.5° | 120.0° |
| N1 | C1 | C2 | H | 117.5° | 120.0° |
| N1 | C1 | C2 | C13 | 36.2° | 60.3° |
| N1 | C1 | C2 | C3 | 142.9° | 120.0° |
| C1 | N1 | C14 | H24 | 0.3° | 0.0° |
| N1 | C1 | C | H11 | 180.0° | 180.0° |
| N1 | C1 | C | H28 | 60.0° | 60.0° |
| N1 | C1 | C | H10 | 60.0° | 60.0° |
| C19 | C20 | O10 | C23 | 124.3° | 119.4° |
| C19 | C20 | O10 | H3 | 119.6° | 121.0° |
| C19 | C20 | C23 | H3 | 122.8° | 121.1° |
| C19 | C20 | C23 | O12 | 83.5° | 119.9° |
| C19 | C20 | O10 | C21 | 156.3° | 146.0° |
| C19 | C20 | C23 | C22 | 157.5° | 121.5° |
| C20 | C19 | H30 | H31 | 120.1° | 120.0° |
| C19 | C20 | C23 | H6 | 40.6° | 2.8° |
| O10 | C20 | C23 | H3 | 116.9° | 119.5° |
| O10 | C20 | C23 | O12 | 156.2° | 120.7° |
| O10 | C20 | C23 | C22 | 37.3° | 2.0° |
| C20 | O10 | C21 | C22 | 13.3° | 40.1° |
| C20 | O10 | C21 | N3 | 137.9° | 158.6° |
| O10 | C20 | C19 | H30 | 110.6° | 173.5° |
| O10 | C20 | C19 | H31 | 9.4° | 53.5° |
| C20 | O10 | C21 | H4 | 103.6° | 78.5° |
| O10 | C20 | C23 | H6 | 79.7° | 116.6° |
| C20 | C23 | O12 | C22 | 113.5° | 114.8° |
| C20 | C23 | O12 | H6 | 123.2° | 122.6° |
| C23 | C20 | O10 | C21 | 32.0° | 26.5° |
| C20 | C23 | C22 | H6 | 117.1° | 118.7° |
| C20 | C23 | C22 | C21 | 28.6° | 20.9° |
| C20 | C23 | C22 | O11 | 89.3° | 139.1° |
| C23 | C20 | C19 | H30 | 132.2° | 55.7° |
| C23 | C20 | C19 | H31 | 107.8° | 64.3° |
| C20 | C23 | C22 | H5 | 146.1° | 97.3° |
| C20 | C23 | O12 | H33 | 180.0° | 180.0° |
| C | C1 | C2 | H | 121.2° | 120.0° |
| C | C1 | C2 | C13 | 85.1° | 59.7° |
| C | C1 | C2 | C3 | 95.8° | 120.0° |
| C1 | C | H11 | H28 | 120.0° | 120.0° |
| C1 | C | H11 | H10 | 120.0° | 120.0° |
| C1 | C | H28 | H10 | 120.0° | 120.0° |
| C1 | C2 | C13 | C3 | 179.1° | 179.7° |
| C1 | C2 | C13 | C12 | 179.4° | 180.0° |
| C1 | C2 | C3 | C4 | 179.5° | 180.0° |
| C1 | C2 | C3 | H12 | 0.4° | 0.1° |
| C1 | C2 | C13 | H23 | 0.5° | 0.0° |
| C2 | C1 | C | H11 | 60.8° | 60.0° |
| C2 | C1 | C | H28 | 179.1° | 180.0° |
| C2 | C1 | C | H10 | 59.2° | 60.0° |
| C2 | C13 | C12 | H23 | 180.0° | 180.0° |
| C2 | C13 | C12 | C5 | 0.2° | 0.0° |
| C13 | C2 | C3 | C4 | 0.4° | 0.3° |
| C13 | C2 | C1 | H | 153.6° | 179.7° |
| C13 | C2 | C3 | H12 | 179.6° | 179.8° |
| C2 | C13 | C12 | H22 | 179.8° | 179.8° |
| C12 | C13 | C2 | C3 | 0.3° | 0.3° |
| C13 | C12 | C5 | H22 | 180.0° | 179.7° |
| C13 | C12 | C5 | C4 | 0.6° | 0.4° |
| C13 | C12 | C5 | N | 179.5° | 180.0° |
| O12 | C23 | C22 | H6 | 124.2° | 122.6° |
| O12 | C23 | C22 | C21 | 147.3° | 97.8° |
| O12 | C23 | C22 | O11 | 29.4° | 20.4° |
| O12 | C23 | C20 | H3 | 39.3° | 1.2° |
| O12 | C23 | C22 | H5 | 95.2° | 144.0° |
| C2 | C3 | C4 | H12 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | H | 25.5° | 0.0° |
| C3 | C2 | C13 | H23 | 179.7° | 179.7° |
| C2 | C3 | C4 | H13 | 180.0° | 179.9° |
| C12 | C5 | C4 | C3 | 0.5° | 0.4° |
| C12 | C5 | C4 | N | 178.9° | 179.6° |
| C12 | C5 | N | C6 | 18.8° | 33.4° |
| C5 | C12 | C13 | H23 | 179.8° | 180.0° |
| C12 | C5 | N | H14 | 161.2° | 146.6° |
| C12 | C5 | C4 | H13 | 179.5° | 179.7° |
| O10 | C21 | C22 | C23 | 10.6° | 37.0° |
| O10 | C21 | C22 | N3 | 120.8° | 118.5° |
| O10 | C21 | C22 | H4 | 118.0° | 118.6° |
| O10 | C21 | N3 | H4 | 118.9° | 123.0° |
| O10 | C21 | C22 | O11 | 108.1° | 155.2° |
| O10 | C21 | N3 | C28 | 79.4° | 161.0° |
| O10 | C21 | N3 | C24 | 100.2° | 19.1° |
| C21 | O10 | C20 | H3 | 84.1° | 93.0° |
| O10 | C21 | C22 | H5 | 128.0° | 81.2° |
| C23 | C22 | C21 | O11 | 118.7° | 118.2° |
| C23 | C22 | C21 | H5 | 117.5° | 118.2° |
| C23 | C22 | C21 | N3 | 110.2° | 155.5° |
| C23 | C22 | O11 | H5 | 123.6° | 123.7° |
| C22 | C23 | C20 | H3 | 79.6° | 117.5° |
| C23 | C22 | C21 | H4 | 128.5° | 81.6° |
| C23 | C22 | O11 | H32 | 180.0° | 67.3° |
| C22 | C23 | O12 | H33 | 66.5° | 65.2° |
| O | C6 | N | C5 | 0.5° | 5.3° |
| O | C6 | C7 | F1 | 99.1° | 145.0° |
| O | C6 | N | C7 | 179.6° | 180.0° |
| O | C6 | C7 | C8 | 23.6° | 25.0° |
| O | C6 | C7 | F | 146.8° | 95.0° |
| O | C6 | N | H14 | 179.5° | 174.7° |
| C3 | C4 | C5 | H13 | 180.0° | 179.9° |
| C3 | C4 | C5 | N | 179.4° | 180.0° |
| C4 | C5 | N | C6 | 162.3° | 147.0° |
| C5 | C4 | C3 | H12 | 180.0° | 179.9° |
| C4 | C5 | C12 | H22 | 179.4° | 179.9° |
| C4 | C5 | N | H14 | 17.7° | 33.0° |
| C5 | N | C6 | H14 | 180.0° | 180.0° |
| C5 | N | C6 | C7 | 179.1° | 174.7° |
| N | C5 | C12 | H22 | 0.5° | 0.3° |
| N | C5 | C4 | H13 | 0.5° | 0.1° |
| C22 | C21 | N3 | H4 | 120.7° | 122.9° |
| C21 | C22 | O11 | H5 | 122.8° | 123.6° |
| C22 | C21 | N3 | C28 | 40.9° | 85.0° |
| C22 | C21 | N3 | C24 | 139.5° | 94.9° |
| C21 | C22 | C23 | H6 | 88.5° | 139.6° |
| C21 | C22 | O11 | H32 | 66.5° | 180.0° |
| N3 | C21 | C22 | O11 | 131.1° | 86.3° |
| C21 | N3 | C28 | N7 | 0.3° | 0.1° |
| C21 | N3 | C28 | C24 | 179.7° | 179.9° |
| C21 | N3 | C28 | C25 | 179.8° | 180.0° |
| C21 | N3 | C24 | N4 | 179.8° | 180.0° |
| N3 | C21 | C22 | H5 | 7.3° | 37.3° |
| C21 | N3 | C24 | H34 | 0.1° | 0.1° |
| O11 | C22 | C21 | H4 | 9.8° | 36.6° |
| O11 | C22 | C23 | H6 | 153.6° | 102.3° |
| F1 | C7 | C6 | N | 80.5° | 35.0° |
| F1 | C7 | C6 | C8 | 122.7° | 120.0° |
| F1 | C7 | C6 | F | 114.0° | 120.0° |
| F1 | C7 | C8 | F | 116.7° | 120.0° |
| F1 | C7 | C8 | C11 | 30.3° | 53.5° |
| F1 | C7 | C8 | C9 | 145.4° | 58.0° |
| F1 | C7 | C8 | H15 | 91.4° | 177.7° |
| N | C6 | C7 | C8 | 156.8° | 155.0° |
| N | C6 | C7 | F | 33.6° | 85.0° |
| C6 | C7 | C8 | F | 122.0° | 120.0° |
| C6 | C7 | C8 | C11 | 151.6° | 66.4° |
| C6 | C7 | C8 | C9 | 93.2° | 178.0° |
| C6 | C7 | C8 | H15 | 30.0° | 57.8° |
| C7 | C6 | N | H14 | 0.9° | 5.2° |
| C27 | N7 | C28 | N3 | 179.8° | 180.0° |
| N7 | C27 | N6 | H37 | 180.0° | 179.9° |
| C27 | N7 | C28 | C25 | 0.1° | 0.0° |
| N7 | C27 | N6 | C26 | 0.1° | 0.1° |
| N7 | C28 | N3 | C25 | 179.9° | 179.9° |
| N7 | C28 | N3 | C24 | 180.0° | 180.0° |
| C28 | N7 | C27 | N6 | 0.2° | 0.0° |
| N7 | C28 | C25 | N4 | 180.0° | 180.0° |
| N7 | C28 | C25 | C26 | 0.2° | 0.1° |
| C28 | N7 | C27 | H37 | 179.8° | 180.0° |
| C28 | N3 | C24 | N4 | 0.2° | 0.1° |
| N3 | C28 | C25 | N4 | 0.1° | 0.0° |
| N3 | C28 | C25 | C26 | 179.9° | 180.0° |
| C28 | N3 | C21 | H4 | 161.7° | 38.0° |
| C28 | N3 | C24 | H34 | 179.8° | 180.0° |
| C24 | N3 | C28 | C25 | 0.1° | 0.1° |
| N3 | C24 | N4 | H34 | 180.0° | 179.9° |
| N3 | C24 | N4 | C25 | 0.1° | 0.0° |
| C24 | N3 | C21 | H4 | 18.7° | 142.1° |
| C7 | C8 | C11 | C9 | 123.4° | 117.9° |
| C7 | C8 | C11 | H15 | 121.6° | 124.1° |
| C7 | C8 | C9 | H15 | 123.3° | 124.1° |
| C7 | C8 | C11 | O1 | 147.2° | 154.4° |
| C7 | C8 | C9 | C10 | 156.3° | 152.1° |
| C7 | C8 | C9 | H16 | 37.4° | 33.8° |
| C7 | C8 | C9 | H17 | 84.8° | 89.7° |
| C7 | C8 | C11 | H21 | 92.9° | 86.7° |
| C7 | C8 | C11 | H20 | 27.4° | 35.5° |
| F | C7 | C8 | C11 | 86.4° | 173.5° |
| F | C7 | C8 | C9 | 28.8° | 62.0° |
| F | C7 | C8 | H15 | 152.0° | 62.3° |
| C27 | N6 | C26 | C25 | 0.2° | 0.1° |
| C27 | N6 | C26 | N5 | 179.8° | 180.0° |
| C28 | C25 | N4 | C24 | 0.0° | 0.0° |
| C28 | C25 | C26 | N6 | 0.3° | 0.1° |
| C28 | C25 | N4 | C26 | 179.8° | 179.9° |
| C28 | C25 | C26 | N5 | 179.9° | 180.0° |
| C11 | C8 | C9 | H15 | 115.1° | 117.9° |
| C8 | C11 | O1 | H21 | 119.8° | 118.9° |
| C8 | C11 | O1 | H20 | 119.8° | 118.9° |
| C8 | C11 | O1 | C10 | 3.1° | 24.4° |
| C11 | C8 | C9 | C10 | 34.6° | 34.1° |
| C11 | C8 | C9 | H16 | 84.3° | 84.1° |
| C11 | C8 | C9 | H17 | 153.5° | 152.3° |
| C8 | C11 | H21 | H20 | 120.6° | 122.1° |
| C9 | C8 | C11 | O1 | 23.8° | 36.4° |
| C8 | C9 | C10 | O1 | 34.6° | 21.4° |
| C8 | C9 | C10 | H16 | 118.9° | 118.3° |
| C8 | C9 | C10 | H17 | 118.9° | 118.2° |
| C8 | C9 | H16 | H17 | 123.1° | 123.5° |
| C8 | C9 | C10 | H19 | 84.9° | 140.9° |
| C8 | C9 | C10 | H18 | 154.1° | 98.2° |
| C9 | C8 | C11 | H21 | 143.7° | 155.4° |
| C9 | C8 | C11 | H20 | 96.0° | 82.5° |
| C11 | O1 | C10 | C9 | 19.9° | 1.7° |
| O1 | C11 | C8 | H15 | 91.1° | 81.5° |
| C11 | O1 | C10 | H19 | 99.6° | 117.8° |
| C11 | O1 | C10 | H18 | 139.4° | 121.3° |
| O1 | C11 | H21 | H20 | 120.6° | 122.2° |
| C24 | N4 | C25 | C26 | 179.8° | 179.9° |
| N6 | C26 | C25 | N4 | 179.9° | 180.0° |
| N6 | C26 | C25 | N5 | 179.6° | 179.9° |
| C26 | N6 | C27 | H37 | 179.9° | 180.0° |
| N6 | C26 | N5 | H36 | 0.0° | 0.1° |
| N6 | C26 | N5 | H35 | 120.0° | 179.9° |
| N4 | C25 | C26 | N5 | 0.3° | 0.1° |
| C25 | N4 | C24 | H34 | 179.9° | 180.0° |
| C25 | C26 | N5 | H36 | 179.6° | 179.9° |
| C25 | C26 | N5 | H35 | 59.7° | 0.0° |
| O1 | C10 | C9 | H19 | 119.5° | 119.5° |
| O1 | C10 | C9 | H18 | 119.5° | 119.6° |
| O1 | C10 | C9 | H16 | 84.3° | 96.9° |
| O1 | C10 | C9 | H17 | 153.5° | 139.6° |
| O1 | C10 | H19 | H18 | 121.4° | 121.0° |
| C10 | O1 | C11 | H21 | 122.9° | 143.3° |
| C10 | O1 | C11 | H20 | 116.7° | 94.4° |
| C26 | N5 | H36 | H35 | 120.0° | 179.9° |
| C10 | C9 | C8 | H15 | 80.5° | 83.8° |
| C10 | C9 | H16 | H17 | 123.0° | 123.6° |
| C9 | C10 | H19 | H18 | 121.5° | 120.9° |
| H | C1 | C | H11 | 60.5° | 59.9° |
| H | C1 | C | H28 | 59.6° | 60.0° |
| H | C1 | C | H10 | 179.5° | 179.9° |
| H12 | C3 | C4 | H13 | 0.0° | 0.0° |
| H15 | C8 | C9 | H16 | 160.6° | 158.0° |
| H15 | C8 | C9 | H17 | 38.4° | 34.4° |
| H15 | C8 | C11 | H21 | 28.7° | 37.4° |
| H15 | C8 | C11 | H20 | 149.1° | 159.6° |
| H16 | C9 | C10 | H19 | 156.2° | 22.6° |
| H16 | C9 | C10 | H18 | 35.1° | 143.5° |
| H17 | C9 | C10 | H19 | 34.1° | 100.9° |
| H17 | C9 | C10 | H18 | 87.0° | 20.0° |
| H22 | C12 | C13 | H23 | 0.2° | 0.2° |
| H24 | C14 | C15 | H25 | 0.1° | 0.3° |
| H1 | C16 | C30 | H8 | 90.6° | 160.2° |
| H30 | C19 | C20 | H3 | 9.5° | 65.5° |
| H31 | C19 | C20 | H3 | 129.5° | 174.5° |
| H3 | C20 | C23 | H6 | 163.4° | 123.9° |
| H4 | C21 | C22 | H5 | 114.0° | 160.2° |
| H5 | C22 | C23 | H6 | 29.0° | 21.4° |
| H5 | C22 | O11 | H32 | 56.4° | 56.4° |
| H8 | C30 | C29 | H7 | 36.9° | 21.3° |
| H8 | C30 | O14 | H39 | 55.3° | 56.3° |
| H40 | C32 | H41 | H42 | 120.0° | 120.1° |
| H11 | C | H28 | H10 | 119.9° | 120.0° |
| H2 | C17 | C18 | H26 | 106.2° | 65.3° |
| H2 | C17 | C18 | H27 | 13.6° | 174.6° |
| H2 | C17 | C29 | H7 | 155.1° | 124.0° |
| H6 | C23 | O12 | H33 | 56.8° | 57.4° |
| H7 | C29 | O13 | H38 | 56.9° | 57.4° |
