KQV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | sing | 1.51Å | 1.50Å | |
| O6 | C34 | doub | 1.21Å | 1.22Å | |
| C34 | N6 | sing | 1.35Å | 1.36Å | |
| N6 | C33 | sing | 1.46Å | 1.47Å | |
| N6 | C36 | sing | 1.48Å | 1.53Å | |
| C32 | C33 | sing | 1.52Å | 1.51Å | |
| C32 | C31 | sing | 1.52Å | 1.54Å | |
| C31 | C30 | sing | 1.55Å | 1.53Å | |
| C31 | N2 | sing | 1.46Å | 1.48Å | |
| O8 | C6 | doub | 1.22Å | 1.23Å | |
| C36 | C7 | sing | 1.54Å | 1.57Å | |
| N1 | C6 | sing | 1.35Å | 1.35Å | |
| N1 | C7 | sing | 1.45Å | 1.46Å | |
| C6 | C5 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.49Å | 1.55Å | |
| O1 | P | doub | 1.48Å | 1.55Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C5 | N | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C37 | doub | 1.36Å | 1.37Å | Aromatic |
| N | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C37 | C3 | sing | 1.42Å | 1.43Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | C38 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C8 | sing | 1.34Å | 1.48Å | |
| N2 | C9 | sing | 1.49Å | 1.47Å | |
| C2 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | O7 | doub | 1.23Å | 1.22Å | |
| C39 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.54Å | |
| F | C | sing | 1.40Å | 1.36Å | |
| P | O2 | sing | 1.61Å | 1.50Å | |
| P | C | sing | 1.82Å | 1.88Å | |
| P | O | sing | 1.61Å | 1.54Å | |
| C29 | C9 | sing | 1.53Å | 1.53Å | |
| C | F1 | sing | 1.40Å | 1.35Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| O5 | C10 | doub | 1.21Å | 1.23Å | |
| C10 | N3 | sing | 1.35Å | 1.34Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C11 | sing | 1.47Å | 1.45Å | |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| N5 | C16 | sing | 1.47Å | 1.47Å | |
| N5 | C15 | sing | 1.35Å | 1.34Å | |
| C11 | C15 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C16 | C23 | sing | 1.51Å | 1.53Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C23 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | C14 | sing | 1.35Å | 1.32Å | |
| C14 | O3 | doub | 1.21Å | 1.23Å | |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.11Å | 1.10Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| O | H5 | sing | 0.97Å | 0.95Å | |
| C37 | H6 | sing | 1.08Å | 1.08Å | |
| C38 | H7 | sing | 1.08Å | 1.08Å | |
| C39 | H8 | sing | 1.08Å | 1.08Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| C36 | H10 | sing | 1.08Å | 1.10Å | |
| C36 | H11 | sing | 1.08Å | 1.10Å | |
| C35 | H12 | sing | 1.09Å | 1.10Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.10Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.10Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.10Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| N4 | H32 | sing | 0.97Å | 1.00Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| C26 | H37 | sing | 1.08Å | 1.08Å | |
| C25 | H38 | sing | 1.08Å | 1.08Å | |
| C24 | H39 | sing | 1.08Å | 1.08Å | |
| C22 | H40 | sing | 1.08Å | 1.08Å | |
| C21 | H41 | sing | 1.08Å | 1.08Å | |
| C20 | H42 | sing | 1.08Å | 1.08Å | |
| C19 | H43 | sing | 1.08Å | 1.08Å | |
| C18 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C34 | O6 | 120.8° | 120.0° |
| C35 | C34 | N6 | 118.3° | 119.9° |
| C34 | C35 | H12 | 109.5° | 109.5° |
| C34 | C35 | H13 | 109.5° | 109.4° |
| C34 | C35 | H14 | 109.5° | 109.5° |
| O6 | C34 | N6 | 120.9° | 120.0° |
| C34 | N6 | C33 | 119.4° | 123.2° |
| C34 | N6 | C36 | 124.0° | 120.1° |
| C33 | N6 | C36 | 116.5° | 116.6° |
| N6 | C33 | C32 | 115.4° | 115.7° |
| N6 | C33 | H15 | 108.0° | 107.5° |
| N6 | C33 | H16 | 108.0° | 109.2° |
| N6 | C36 | C7 | 111.1° | 109.9° |
| N6 | C36 | H10 | 109.1° | 108.4° |
| N6 | C36 | H11 | 109.1° | 108.4° |
| C33 | C32 | C31 | 120.4° | 113.0° |
| C32 | C33 | H15 | 108.0° | 107.7° |
| C32 | C33 | H16 | 107.9° | 109.4° |
| C33 | C32 | H17 | 106.6° | 108.1° |
| C33 | C32 | H18 | 106.6° | 110.5° |
| C32 | C31 | C30 | 115.5° | 106.6° |
| C32 | C31 | N2 | 114.1° | 118.9° |
| C31 | C32 | H17 | 106.7° | 108.2° |
| C31 | C32 | H18 | 106.7° | 110.0° |
| C32 | C31 | H19 | 108.0° | 109.8° |
| C30 | C31 | N2 | 102.2° | 104.4° |
| C31 | C30 | C29 | 104.0° | 99.9° |
| C30 | C31 | H19 | 108.1° | 107.3° |
| C31 | C30 | H20 | 110.8° | 110.9° |
| C31 | C30 | H21 | 110.8° | 111.0° |
| C31 | N2 | C8 | 125.5° | 134.3° |
| C31 | N2 | C9 | 113.1° | 105.9° |
| N2 | C31 | H19 | 108.7° | 109.2° |
| O8 | C6 | N1 | 123.6° | 120.0° |
| O8 | C6 | C5 | 120.9° | 120.0° |
| C36 | C7 | N1 | 120.5° | 112.0° |
| C36 | C7 | C8 | 108.3° | 111.9° |
| C36 | C7 | H2 | 104.2° | 106.0° |
| C7 | C36 | H10 | 109.1° | 109.6° |
| C7 | C36 | H11 | 109.0° | 109.6° |
| C6 | N1 | C7 | 125.3° | 120.0° |
| N1 | C6 | C5 | 115.5° | 120.0° |
| C6 | N1 | H3 | 117.4° | 120.0° |
| N1 | C7 | C8 | 112.7° | 112.6° |
| N1 | C7 | H2 | 105.2° | 106.9° |
| C7 | N1 | H3 | 117.3° | 120.0° |
| C6 | C5 | N | 124.7° | 125.4° |
| C6 | C5 | C37 | 126.1° | 125.4° |
| C7 | C8 | N2 | 117.0° | 129.2° |
| C7 | C8 | O7 | 121.4° | 114.7° |
| C8 | C7 | H2 | 104.3° | 106.9° |
| O1 | P | O2 | 113.2° | 109.4° |
| O1 | P | C | 105.2° | 109.5° |
| O1 | P | O | 108.3° | 109.5° |
| C30 | C29 | C9 | 103.3° | 102.2° |
| C29 | C30 | H20 | 110.8° | 111.2° |
| C29 | C30 | H21 | 110.8° | 111.4° |
| C30 | C29 | H22 | 111.0° | 110.7° |
| C30 | C29 | H23 | 111.0° | 110.8° |
| N | C5 | C37 | 109.2° | 109.1° |
| C5 | N | C4 | 108.8° | 108.8° |
| C5 | N | H4 | 125.6° | 125.6° |
| C5 | C37 | C3 | 107.5° | 107.7° |
| C5 | C37 | H6 | 126.2° | 126.1° |
| N | C4 | C3 | 107.8° | 107.4° |
| N | C4 | C38 | 130.6° | 133.2° |
| C4 | N | H4 | 125.6° | 125.6° |
| C37 | C3 | C4 | 106.7° | 106.9° |
| C37 | C3 | C2 | 134.7° | 133.4° |
| C3 | C37 | H6 | 126.2° | 126.1° |
| C3 | C4 | C38 | 121.6° | 119.4° |
| C4 | C3 | C2 | 118.6° | 119.7° |
| C4 | C38 | C39 | 118.1° | 119.8° |
| C4 | C38 | H7 | 120.9° | 120.0° |
| C3 | C2 | C1 | 121.1° | 119.8° |
| C3 | C2 | H1 | 119.5° | 120.1° |
| C38 | C39 | C1 | 121.7° | 120.7° |
| C39 | C38 | H7 | 120.9° | 120.2° |
| C38 | C39 | H8 | 119.2° | 119.6° |
| C8 | N2 | C9 | 115.0° | 119.7° |
| N2 | C8 | O7 | 121.6° | 116.0° |
| N2 | C9 | C29 | 103.1° | 107.6° |
| N2 | C9 | C10 | 112.7° | 110.1° |
| N2 | C9 | H24 | 110.3° | 110.0° |
| C2 | C1 | C39 | 119.0° | 120.6° |
| C2 | C1 | C | 116.1° | 119.7° |
| C1 | C2 | H1 | 119.5° | 120.1° |
| C39 | C1 | C | 124.7° | 119.7° |
| C1 | C39 | H8 | 119.1° | 119.7° |
| C1 | C | F | 110.5° | 109.4° |
| C1 | C | P | 113.0° | 109.5° |
| C1 | C | F1 | 111.2° | 109.4° |
| F | C | P | 109.5° | 109.5° |
| F | C | F1 | 100.2° | 109.5° |
| O2 | P | C | 112.1° | 109.5° |
| O2 | P | O | 112.6° | 109.5° |
| P | O2 | H9 | 109.5° | 114.0° |
| C | P | O | 104.8° | 109.5° |
| P | C | F1 | 111.7° | 109.5° |
| P | O | H5 | 109.5° | 113.9° |
| C29 | C9 | C10 | 111.8° | 108.7° |
| C9 | C29 | H22 | 111.0° | 110.6° |
| C9 | C29 | H23 | 111.0° | 110.7° |
| C29 | C9 | H24 | 109.4° | 110.2° |
| C9 | C10 | O5 | 121.0° | 120.0° |
| C9 | C10 | N3 | 115.2° | 120.0° |
| C10 | C9 | H24 | 109.4° | 110.2° |
| C20 | C19 | C18 | 120.2° | 120.0° |
| C19 | C20 | C21 | 119.7° | 120.0° |
| C19 | C20 | H42 | 120.1° | 120.0° |
| C20 | C19 | H43 | 119.9° | 120.0° |
| C19 | C18 | C17 | 120.6° | 119.9° |
| C18 | C19 | H43 | 119.9° | 120.0° |
| C19 | C18 | H44 | 119.7° | 120.0° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C20 | C21 | H41 | 119.9° | 120.0° |
| C21 | C20 | H42 | 120.2° | 120.0° |
| O5 | C10 | N3 | 123.8° | 120.0° |
| C10 | N3 | C11 | 123.4° | 120.0° |
| C10 | N3 | H25 | 118.3° | 120.0° |
| C18 | C17 | C22 | 118.6° | 120.0° |
| C18 | C17 | C16 | 121.0° | 120.0° |
| C17 | C18 | H44 | 119.7° | 120.0° |
| C21 | C22 | C17 | 120.7° | 120.0° |
| C21 | C22 | H40 | 119.7° | 120.0° |
| C22 | C21 | H41 | 119.9° | 120.0° |
| N3 | C11 | C15 | 112.9° | 109.5° |
| N3 | C11 | C12 | 110.7° | 109.5° |
| C11 | N3 | H25 | 118.3° | 120.0° |
| N3 | C11 | H26 | 108.1° | 109.4° |
| C22 | C17 | C16 | 120.3° | 120.0° |
| C17 | C22 | H40 | 119.6° | 120.0° |
| C17 | C16 | N5 | 112.8° | 109.5° |
| C17 | C16 | C23 | 113.8° | 109.5° |
| C17 | C16 | H34 | 105.1° | 109.5° |
| C16 | N5 | C15 | 122.5° | 120.0° |
| N5 | C16 | C23 | 113.5° | 109.4° |
| C16 | N5 | H33 | 118.8° | 120.0° |
| N5 | C16 | H34 | 105.6° | 109.5° |
| N5 | C15 | C11 | 116.8° | 120.0° |
| N5 | C15 | O4 | 123.4° | 120.0° |
| C15 | N5 | H33 | 118.8° | 120.0° |
| C15 | C11 | C12 | 110.6° | 109.5° |
| C11 | C15 | O4 | 119.9° | 120.0° |
| C15 | C11 | H26 | 107.1° | 109.5° |
| C11 | C12 | C13 | 113.5° | 109.5° |
| C12 | C11 | H26 | 107.1° | 109.5° |
| C11 | C12 | H27 | 108.4° | 109.5° |
| C11 | C12 | H28 | 108.4° | 109.4° |
| C16 | C23 | C28 | 121.1° | 120.0° |
| C16 | C23 | C24 | 120.4° | 120.0° |
| C23 | C16 | H34 | 105.0° | 109.4° |
| C12 | C13 | C14 | 114.8° | 109.5° |
| C13 | C12 | H27 | 108.4° | 109.5° |
| C13 | C12 | H28 | 108.5° | 109.5° |
| C12 | C13 | H29 | 108.1° | 109.5° |
| C12 | C13 | H30 | 108.1° | 109.4° |
| C13 | C14 | N4 | 116.0° | 120.0° |
| C13 | C14 | O3 | 121.3° | 120.0° |
| C14 | C13 | H29 | 108.1° | 109.5° |
| C14 | C13 | H30 | 108.1° | 109.5° |
| C28 | C23 | C24 | 118.5° | 120.0° |
| C23 | C28 | C27 | 120.6° | 120.0° |
| C23 | C28 | H35 | 119.7° | 120.0° |
| C23 | C24 | C25 | 120.8° | 120.0° |
| C23 | C24 | H39 | 119.6° | 120.0° |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C27 | C28 | H35 | 119.7° | 120.0° |
| C28 | C27 | H36 | 119.9° | 120.0° |
| C24 | C25 | C26 | 120.2° | 120.0° |
| C24 | C25 | H38 | 119.9° | 120.0° |
| C25 | C24 | H39 | 119.6° | 120.0° |
| N4 | C14 | O3 | 122.7° | 120.0° |
| C14 | N4 | H31 | 120.0° | 120.0° |
| C14 | N4 | H32 | 120.0° | 120.0° |
| C27 | C26 | C25 | 119.6° | 120.0° |
| C26 | C27 | H36 | 119.8° | 120.0° |
| C27 | C26 | H37 | 120.2° | 120.0° |
| C25 | C26 | H37 | 120.2° | 120.0° |
| C26 | C25 | H38 | 119.9° | 120.1° |
| H10 | C36 | H11 | 109.5° | 110.9° |
| H12 | C35 | H13 | 109.5° | 109.4° |
| H12 | C35 | H14 | 109.5° | 109.6° |
| H13 | C35 | H14 | 109.4° | 109.4° |
| H15 | C33 | H16 | 109.5° | 107.1° |
| H17 | C32 | H18 | 109.5° | 107.0° |
| H20 | C30 | H21 | 109.5° | 111.8° |
| H22 | C29 | H23 | 109.5° | 111.5° |
| H27 | C12 | H28 | 109.5° | 109.4° |
| H29 | C13 | H30 | 109.5° | 109.5° |
| H31 | N4 | H32 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C34 | O6 | N6 | 178.3° | 179.9° |
| C35 | C34 | N6 | C33 | 115.9° | 0.0° |
| C35 | C34 | N6 | C36 | 68.2° | 176.7° |
| C34 | C35 | H12 | H13 | 120.0° | 119.9° |
| C34 | C35 | H12 | H14 | 120.0° | 120.1° |
| C34 | C35 | H13 | H14 | 120.0° | 120.0° |
| O6 | C34 | N6 | C33 | 62.5° | 180.0° |
| O6 | C34 | N6 | C36 | 113.4° | 3.3° |
| O6 | C34 | C35 | H12 | 0.0° | 119.9° |
| O6 | C34 | C35 | H13 | 120.0° | 0.0° |
| O6 | C34 | C35 | H14 | 120.0° | 120.0° |
| C34 | N6 | C33 | C36 | 176.2° | 176.8° |
| C34 | N6 | C33 | C32 | 86.4° | 87.1° |
| C34 | N6 | C36 | C7 | 93.9° | 122.2° |
| C34 | N6 | C36 | H10 | 145.9° | 2.4° |
| C34 | N6 | C36 | H11 | 26.3° | 118.1° |
| N6 | C34 | C35 | H12 | 178.4° | 60.0° |
| N6 | C34 | C35 | H13 | 58.3° | 180.0° |
| N6 | C34 | C35 | H14 | 61.6° | 60.1° |
| C34 | N6 | C33 | H15 | 34.5° | 33.2° |
| C34 | N6 | C33 | H16 | 152.8° | 149.0° |
| N6 | C33 | C32 | H15 | 120.9° | 120.2° |
| N6 | C33 | C32 | H16 | 120.8° | 123.7° |
| N6 | C33 | C32 | C31 | 51.3° | 16.1° |
| C33 | N6 | C36 | C7 | 90.1° | 60.9° |
| C33 | N6 | C36 | H10 | 30.1° | 179.3° |
| C33 | N6 | C36 | H11 | 149.7° | 58.9° |
| N6 | C33 | H15 | H16 | 117.3° | 117.2° |
| N6 | C33 | C32 | H17 | 70.2° | 135.8° |
| N6 | C33 | C32 | H18 | 172.9° | 107.5° |
| C36 | N6 | C33 | C32 | 97.4° | 96.0° |
| N6 | C36 | C7 | H10 | 120.3° | 119.1° |
| N6 | C36 | C7 | H11 | 120.2° | 119.1° |
| N6 | C36 | C7 | N1 | 132.9° | 74.9° |
| N6 | C36 | C7 | C8 | 95.3° | 52.7° |
| N6 | C36 | C7 | H2 | 15.3° | 168.9° |
| N6 | C36 | H10 | H11 | 119.3° | 118.9° |
| C36 | N6 | C33 | H15 | 141.7° | 143.6° |
| C36 | N6 | C33 | H16 | 23.5° | 27.8° |
| C33 | C32 | C31 | H17 | 121.5° | 119.6° |
| C33 | C32 | C31 | H18 | 121.5° | 123.9° |
| C33 | C32 | C31 | C30 | 160.4° | 166.9° |
| C33 | C32 | C31 | N2 | 42.5° | 75.7° |
| C32 | C33 | H15 | H16 | 117.3° | 117.6° |
| C33 | C32 | H17 | H18 | 115.0° | 118.9° |
| C33 | C32 | C31 | H19 | 78.5° | 51.0° |
| C32 | C31 | C30 | N2 | 124.4° | 126.7° |
| C32 | C31 | C30 | H19 | 121.0° | 117.6° |
| C32 | C31 | N2 | H19 | 120.5° | 127.0° |
| C32 | C31 | C30 | C29 | 93.5° | 171.1° |
| C32 | C31 | N2 | C8 | 96.8° | 31.6° |
| C32 | C31 | N2 | C9 | 112.9° | 149.8° |
| C31 | C32 | C33 | H15 | 172.2° | 104.1° |
| C31 | C32 | C33 | H16 | 69.5° | 139.9° |
| C31 | C32 | H17 | H18 | 115.1° | 118.4° |
| C32 | C31 | C30 | H20 | 147.4° | 71.5° |
| C32 | C31 | C30 | H21 | 25.6° | 53.5° |
| C30 | C31 | N2 | H19 | 114.1° | 114.5° |
| C31 | C30 | C29 | H20 | 119.1° | 117.1° |
| C31 | C30 | C29 | H21 | 119.1° | 117.3° |
| C30 | C31 | N2 | C8 | 137.9° | 150.1° |
| C30 | C31 | N2 | C9 | 12.5° | 31.2° |
| C31 | C30 | C29 | C9 | 38.4° | 39.3° |
| C30 | C31 | C32 | H17 | 78.0° | 47.3° |
| C30 | C31 | C32 | H18 | 38.9° | 69.2° |
| C31 | C30 | H20 | H21 | 122.6° | 124.5° |
| C31 | C30 | C29 | H22 | 157.4° | 78.5° |
| C31 | C30 | C29 | H23 | 80.6° | 157.4° |
| C31 | N2 | C8 | C7 | 18.9° | 14.8° |
| N2 | C31 | C30 | C29 | 30.9° | 44.4° |
| C31 | N2 | C8 | C9 | 149.9° | 178.5° |
| C31 | N2 | C8 | O7 | 161.2° | 162.9° |
| C31 | N2 | C9 | C29 | 11.1° | 5.6° |
| C31 | N2 | C9 | C10 | 131.8° | 123.9° |
| N2 | C31 | C32 | H17 | 164.0° | 164.7° |
| N2 | C31 | C32 | H18 | 79.1° | 48.2° |
| N2 | C31 | C30 | H20 | 88.2° | 161.8° |
| N2 | C31 | C30 | H21 | 150.0° | 73.2° |
| C31 | N2 | C9 | H24 | 105.6° | 114.4° |
| O8 | C6 | N1 | C5 | 179.6° | 179.9° |
| O8 | C6 | N1 | C7 | 14.9° | 0.1° |
| O8 | C6 | C5 | N | 4.0° | 180.0° |
| O8 | C6 | C5 | C37 | 179.2° | 0.0° |
| O8 | C6 | N1 | H3 | 165.1° | 180.0° |
| C36 | C7 | N1 | C6 | 175.1° | 147.7° |
| C36 | C7 | N1 | C8 | 129.9° | 127.2° |
| C36 | C7 | N1 | H2 | 117.1° | 115.7° |
| C36 | C7 | C8 | H2 | 110.5° | 115.6° |
| C36 | C7 | C8 | N2 | 74.7° | 73.0° |
| C36 | C7 | C8 | O7 | 105.2° | 104.7° |
| C36 | C7 | N1 | H3 | 5.0° | 32.3° |
| C7 | C36 | H10 | H11 | 119.2° | 121.1° |
| C6 | N1 | C7 | H3 | 180.0° | 180.0° |
| C6 | N1 | C7 | C8 | 55.0° | 85.1° |
| N1 | C6 | C5 | N | 175.7° | 0.1° |
| N1 | C6 | C5 | C37 | 1.2° | 180.0° |
| C6 | N1 | C7 | H2 | 58.0° | 32.0° |
| C7 | N1 | C6 | C5 | 164.7° | 180.0° |
| N1 | C7 | C8 | H2 | 113.6° | 117.1° |
| N1 | C7 | C8 | N2 | 149.4° | 54.3° |
| N1 | C7 | C8 | O7 | 30.7° | 128.0° |
| N1 | C7 | C36 | H10 | 106.9° | 166.0° |
| N1 | C7 | C36 | H11 | 12.6° | 44.2° |
| C6 | C5 | N | C37 | 177.3° | 180.0° |
| C6 | C5 | N | C4 | 177.1° | 179.9° |
| C6 | C5 | C37 | C3 | 177.0° | 180.0° |
| C5 | C6 | N1 | H3 | 15.3° | 0.1° |
| C6 | C5 | N | H4 | 2.9° | 0.1° |
| C6 | C5 | C37 | H6 | 3.0° | 0.1° |
| C7 | C8 | N2 | O7 | 179.9° | 177.7° |
| C7 | C8 | N2 | C9 | 168.8° | 166.8° |
| C8 | C7 | N1 | H3 | 125.0° | 95.0° |
| C8 | C7 | C36 | H10 | 25.0° | 66.3° |
| C8 | C7 | C36 | H11 | 144.5° | 171.8° |
| O1 | P | C | C1 | 44.1° | 176.9° |
| O1 | P | C | F | 79.5° | 56.9° |
| O1 | P | O2 | C | 118.8° | 120.0° |
| O1 | P | O2 | O | 123.3° | 120.0° |
| O1 | P | C | O | 114.1° | 120.0° |
| O1 | P | C | F1 | 170.4° | 63.1° |
| O1 | P | O | H5 | 0.0° | 60.0° |
| O1 | P | O2 | H9 | 0.0° | 180.0° |
| C30 | C29 | C9 | N2 | 30.0° | 22.2° |
| C30 | C29 | C9 | H22 | 119.0° | 117.8° |
| C30 | C29 | C9 | H23 | 119.0° | 118.1° |
| C30 | C29 | C9 | C10 | 151.3° | 97.0° |
| C29 | C30 | C31 | H19 | 145.4° | 71.3° |
| C29 | C30 | H20 | H21 | 122.5° | 125.3° |
| C30 | C29 | H22 | H23 | 122.9° | 123.8° |
| C30 | C29 | C9 | H24 | 87.3° | 142.1° |
| C5 | N | C4 | H4 | 180.0° | 179.9° |
| N | C5 | C37 | C3 | 0.3° | 0.0° |
| C5 | N | C4 | C3 | 0.1° | 0.1° |
| C5 | N | C4 | C38 | 178.9° | 180.0° |
| N | C5 | C37 | H6 | 179.7° | 179.9° |
| C37 | C5 | N | C4 | 0.2° | 0.0° |
| C5 | C37 | C3 | H6 | 180.0° | 179.9° |
| C5 | C37 | C3 | C4 | 0.3° | 0.0° |
| C5 | C37 | C3 | C2 | 178.0° | 180.0° |
| C37 | C5 | N | H4 | 179.7° | 179.9° |
| N | C4 | C3 | C37 | 0.1° | 0.1° |
| N | C4 | C3 | C38 | 179.0° | 179.9° |
| N | C4 | C3 | C2 | 178.4° | 179.9° |
| N | C4 | C38 | C39 | 178.0° | 179.6° |
| N | C4 | C38 | H7 | 2.1° | 0.1° |
| C37 | C3 | C4 | C2 | 178.6° | 180.0° |
| C37 | C3 | C4 | C38 | 179.2° | 180.0° |
| C37 | C3 | C2 | C1 | 177.5° | 180.0° |
| C37 | C3 | C2 | H1 | 2.5° | 0.0° |
| C3 | C4 | C38 | C39 | 0.8° | 0.3° |
| C4 | C3 | C2 | C1 | 0.6° | 0.1° |
| C4 | C3 | C2 | H1 | 179.4° | 180.0° |
| C3 | C4 | N | H4 | 179.9° | 179.9° |
| C4 | C3 | C37 | H6 | 179.7° | 180.0° |
| C3 | C4 | C38 | H7 | 179.1° | 180.0° |
| C38 | C4 | C3 | C2 | 0.6° | 0.0° |
| C4 | C38 | C39 | H7 | 180.0° | 179.7° |
| C4 | C38 | C39 | C1 | 0.1° | 0.6° |
| C38 | C4 | N | H4 | 1.2° | 0.2° |
| C4 | C38 | C39 | H8 | 179.9° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C39 | 1.6° | 0.2° |
| C3 | C2 | C1 | C | 173.9° | 180.0° |
| C2 | C3 | C37 | H6 | 2.0° | 0.0° |
| C38 | C39 | C1 | C2 | 1.3° | 0.6° |
| C38 | C39 | C1 | H8 | 180.0° | 179.4° |
| C38 | C39 | C1 | C | 173.8° | 179.6° |
| C8 | N2 | C9 | C29 | 164.7° | 175.5° |
| C8 | N2 | C9 | C10 | 74.6° | 57.3° |
| N2 | C8 | C7 | H2 | 35.8° | 171.4° |
| C8 | N2 | C31 | H19 | 23.8° | 95.4° |
| C8 | N2 | C9 | H24 | 47.9° | 64.4° |
| C9 | N2 | C8 | O7 | 11.3° | 15.5° |
| N2 | C9 | C29 | C10 | 121.3° | 119.2° |
| N2 | C9 | C29 | H24 | 117.3° | 119.9° |
| N2 | C9 | C10 | H24 | 123.0° | 121.5° |
| N2 | C9 | C10 | O5 | 30.1° | 0.0° |
| N2 | C9 | C10 | N3 | 148.8° | 180.0° |
| C9 | N2 | C31 | H19 | 126.6° | 83.2° |
| N2 | C9 | C29 | H22 | 149.0° | 95.7° |
| N2 | C9 | C29 | H23 | 89.0° | 140.2° |
| C2 | C1 | C39 | C | 175.1° | 179.8° |
| C2 | C1 | C | F | 26.7° | 32.1° |
| C2 | C1 | C | P | 149.8° | 87.9° |
| C2 | C1 | C | F1 | 83.7° | 152.0° |
| C2 | C1 | C39 | H8 | 178.7° | 179.9° |
| O7 | C8 | C7 | H2 | 144.3° | 10.9° |
| C39 | C1 | C | F | 158.1° | 147.7° |
| C39 | C1 | C | P | 35.0° | 92.3° |
| C39 | C1 | C | F1 | 91.5° | 27.8° |
| C39 | C1 | C2 | H1 | 178.5° | 179.7° |
| C1 | C39 | C38 | H7 | 179.9° | 179.7° |
| C1 | C | F | P | 125.0° | 120.0° |
| C1 | C | F | F1 | 117.4° | 119.9° |
| C1 | C | P | O2 | 167.5° | 63.1° |
| C1 | C | P | F1 | 126.3° | 120.0° |
| C1 | C | P | O | 70.1° | 56.9° |
| C | C1 | C2 | H1 | 6.0° | 0.1° |
| C | C1 | C39 | H8 | 6.2° | 0.3° |
| F | C | P | O2 | 43.9° | 176.9° |
| F | C | P | F1 | 110.1° | 120.0° |
| F | C | P | O | 166.3° | 63.1° |
| O2 | P | C | O | 122.5° | 120.0° |
| O2 | P | C | F1 | 66.2° | 56.8° |
| O2 | P | O | H5 | 126.0° | 60.0° |
| C | P | O | H5 | 111.9° | 180.0° |
| C | P | O2 | H9 | 118.8° | 60.0° |
| O | P | C | F1 | 56.2° | 176.9° |
| O | P | O2 | H9 | 123.3° | 60.0° |
| C29 | C9 | C10 | H24 | 121.4° | 120.9° |
| C29 | C9 | C10 | O5 | 85.6° | 117.6° |
| C29 | C9 | C10 | N3 | 95.6° | 62.4° |
| C9 | C29 | C30 | H20 | 80.7° | 156.4° |
| C9 | C29 | C30 | H21 | 157.5° | 78.0° |
| C9 | C29 | H22 | H23 | 122.8° | 123.7° |
| C9 | C10 | O5 | N3 | 178.8° | 180.0° |
| C9 | C10 | N3 | C11 | 174.0° | 180.0° |
| C10 | C9 | C29 | H22 | 89.7° | 145.2° |
| C10 | C9 | C29 | H23 | 32.3° | 21.1° |
| C9 | C10 | N3 | H25 | 6.0° | 0.0° |
| C20 | C19 | C18 | H43 | 180.0° | 179.8° |
| C19 | C20 | C21 | H42 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.5° | 0.5° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H41 | 179.9° | 180.0° |
| C20 | C19 | C18 | H44 | 179.5° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.3° |
| C19 | C18 | C17 | H44 | 180.0° | 179.5° |
| C19 | C18 | C17 | C22 | 0.8° | 0.6° |
| C19 | C18 | C17 | C16 | 176.2° | 179.7° |
| C18 | C19 | C20 | H42 | 180.0° | 179.8° |
| C20 | C21 | C22 | H41 | 180.0° | 179.9° |
| C20 | C21 | C22 | C17 | 0.2° | 0.1° |
| C20 | C21 | C22 | H40 | 179.7° | 180.0° |
| C21 | C20 | C19 | H43 | 179.9° | 179.9° |
| O5 | C10 | N3 | C11 | 4.8° | 0.0° |
| O5 | C10 | C9 | H24 | 153.1° | 121.5° |
| O5 | C10 | N3 | H25 | 175.2° | 180.0° |
| C10 | N3 | C11 | H25 | 180.0° | 180.0° |
| C10 | N3 | C11 | C15 | 75.7° | 155.0° |
| C10 | N3 | C11 | C12 | 159.6° | 84.9° |
| N3 | C10 | C9 | H24 | 25.8° | 58.5° |
| C10 | N3 | C11 | H26 | 42.5° | 35.0° |
| C18 | C17 | C22 | C21 | 0.7° | 0.3° |
| C18 | C17 | C22 | C16 | 177.0° | 179.7° |
| C18 | C17 | C16 | N5 | 69.7° | 40.2° |
| C18 | C17 | C16 | C23 | 61.5° | 79.7° |
| C18 | C17 | C16 | H34 | 175.8° | 160.3° |
| C18 | C17 | C22 | H40 | 179.3° | 179.8° |
| C17 | C18 | C19 | H43 | 179.5° | 179.7° |
| C21 | C22 | C17 | H40 | 180.0° | 179.9° |
| C21 | C22 | C17 | C16 | 176.3° | 179.9° |
| C22 | C21 | C20 | H42 | 179.9° | 180.0° |
| N3 | C11 | C15 | N5 | 23.0° | 180.0° |
| N3 | C11 | C15 | C12 | 124.8° | 120.0° |
| N3 | C11 | C15 | H26 | 118.8° | 119.9° |
| N3 | C11 | C12 | H26 | 117.6° | 119.9° |
| N3 | C11 | C15 | O4 | 157.8° | 0.0° |
| N3 | C11 | C12 | C13 | 69.5° | 65.0° |
| N3 | C11 | C12 | H27 | 51.1° | 55.1° |
| N3 | C11 | C12 | H28 | 169.9° | 175.0° |
| C22 | C17 | C16 | N5 | 113.4° | 140.0° |
| C22 | C17 | C16 | C23 | 115.5° | 100.0° |
| C22 | C17 | C16 | H34 | 1.2° | 20.0° |
| C17 | C22 | C21 | H41 | 179.8° | 180.0° |
| C22 | C17 | C18 | H44 | 179.2° | 179.9° |
| C17 | C16 | N5 | C23 | 131.3° | 120.0° |
| C17 | C16 | N5 | H34 | 114.2° | 120.1° |
| C17 | C16 | N5 | C15 | 119.8° | 155.0° |
| C17 | C16 | C23 | H34 | 114.4° | 120.0° |
| C17 | C16 | C23 | C28 | 135.8° | 100.0° |
| C17 | C16 | C23 | C24 | 47.0° | 80.3° |
| C17 | C16 | N5 | H33 | 60.2° | 25.0° |
| C16 | C17 | C22 | H40 | 3.7° | 0.0° |
| C16 | C17 | C18 | H44 | 3.8° | 0.2° |
| C16 | N5 | C15 | H33 | 180.0° | 180.0° |
| C16 | N5 | C15 | C11 | 173.4° | 180.0° |
| N5 | C16 | C23 | H34 | 114.9° | 120.0° |
| C16 | N5 | C15 | O4 | 5.8° | 0.0° |
| N5 | C16 | C23 | C28 | 5.0° | 140.0° |
| N5 | C16 | C23 | C24 | 177.8° | 39.7° |
| N5 | C15 | C11 | O4 | 179.2° | 180.0° |
| N5 | C15 | C11 | C12 | 101.7° | 60.0° |
| C15 | N5 | C16 | C23 | 109.0° | 85.0° |
| N5 | C15 | C11 | H26 | 141.9° | 60.0° |
| C15 | N5 | C16 | H34 | 5.5° | 34.9° |
| C15 | C11 | C12 | H26 | 116.4° | 120.1° |
| C15 | C11 | C12 | C13 | 164.5° | 175.0° |
| C15 | C11 | N3 | H25 | 104.2° | 25.0° |
| C15 | C11 | C12 | H27 | 74.9° | 65.0° |
| C15 | C11 | C12 | H28 | 43.9° | 54.9° |
| C11 | C15 | N5 | H33 | 6.6° | 0.0° |
| C12 | C11 | C15 | O4 | 77.5° | 120.0° |
| C11 | C12 | C13 | H27 | 120.6° | 120.0° |
| C11 | C12 | C13 | H28 | 120.6° | 120.0° |
| C11 | C12 | C13 | C14 | 175.4° | 180.0° |
| C12 | C11 | N3 | H25 | 20.5° | 95.0° |
| C11 | C12 | H27 | H28 | 118.2° | 119.9° |
| C11 | C12 | C13 | H29 | 63.8° | 60.0° |
| C11 | C12 | C13 | H30 | 54.6° | 60.0° |
| C16 | C23 | C28 | C24 | 177.2° | 179.7° |
| C16 | C23 | C28 | C27 | 176.3° | 180.0° |
| C16 | C23 | C24 | C25 | 176.2° | 179.8° |
| C23 | C16 | N5 | H33 | 71.0° | 95.0° |
| C16 | C23 | C28 | H35 | 3.7° | 0.1° |
| C16 | C23 | C24 | H39 | 3.8° | 0.0° |
| O4 | C15 | C11 | H26 | 39.0° | 120.0° |
| O4 | C15 | N5 | H33 | 174.2° | 180.0° |
| C12 | C13 | C14 | H29 | 120.8° | 120.0° |
| C12 | C13 | C14 | H30 | 120.8° | 120.0° |
| C12 | C13 | C14 | N4 | 172.0° | 180.0° |
| C12 | C13 | C14 | O3 | 7.4° | 0.0° |
| C13 | C12 | C11 | H26 | 48.1° | 54.9° |
| C13 | C12 | H27 | H28 | 118.2° | 120.0° |
| C12 | C13 | H29 | H30 | 117.6° | 119.9° |
| C13 | C14 | N4 | O3 | 179.4° | 179.9° |
| C14 | C13 | C12 | H27 | 54.8° | 60.0° |
| C14 | C13 | C12 | H28 | 64.0° | 60.0° |
| C14 | C13 | H29 | H30 | 117.5° | 120.1° |
| C13 | C14 | N4 | H31 | 179.4° | 0.1° |
| C13 | C14 | N4 | H32 | 0.6° | 180.0° |
| C23 | C28 | C27 | H35 | 180.0° | 179.9° |
| C28 | C23 | C24 | C25 | 1.1° | 0.5° |
| C23 | C28 | C27 | C26 | 0.2° | 0.1° |
| C28 | C23 | C16 | H34 | 109.8° | 20.0° |
| C23 | C28 | C27 | H36 | 179.8° | 179.9° |
| C28 | C23 | C24 | H39 | 179.0° | 179.7° |
| C24 | C23 | C28 | C27 | 1.0° | 0.3° |
| C23 | C24 | C25 | H39 | 180.0° | 179.8° |
| C23 | C24 | C25 | C26 | 0.4° | 0.5° |
| C24 | C23 | C16 | H34 | 67.4° | 159.7° |
| C24 | C23 | C28 | H35 | 179.0° | 179.8° |
| C23 | C24 | C25 | H38 | 179.6° | 179.7° |
| C28 | C27 | C26 | H36 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.5° | 0.0° |
| C28 | C27 | C26 | H37 | 179.6° | 179.9° |
| C24 | C25 | C26 | C27 | 0.4° | 0.2° |
| C24 | C25 | C26 | H38 | 180.0° | 179.8° |
| C24 | C25 | C26 | H37 | 179.6° | 179.9° |
| N4 | C14 | C13 | H29 | 67.2° | 60.0° |
| N4 | C14 | C13 | H30 | 51.2° | 60.1° |
| C14 | N4 | H31 | H32 | 180.0° | 179.9° |
| O3 | C14 | C13 | H29 | 113.4° | 120.0° |
| O3 | C14 | C13 | H30 | 128.2° | 120.0° |
| O3 | C14 | N4 | H31 | 0.0° | 180.0° |
| O3 | C14 | N4 | H32 | 180.0° | 0.1° |
| C27 | C26 | C25 | H37 | 180.0° | 179.9° |
| C26 | C27 | C28 | H35 | 179.8° | 180.0° |
| C27 | C26 | C25 | H38 | 179.6° | 180.0° |
| C25 | C26 | C27 | H36 | 179.6° | 179.9° |
| C26 | C25 | C24 | H39 | 179.7° | 179.7° |
| H2 | C7 | N1 | H3 | 122.0° | 148.0° |
| H2 | C7 | C36 | H10 | 135.5° | 49.8° |
| H2 | C7 | C36 | H11 | 105.0° | 72.0° |
| H7 | C38 | C39 | H8 | 0.1° | 0.4° |
| H12 | C35 | H13 | H14 | 120.0° | 120.0° |
| H15 | C33 | C32 | H17 | 50.6° | 15.6° |
| H15 | C33 | C32 | H18 | 66.3° | 132.3° |
| H16 | C33 | C32 | H17 | 168.9° | 100.5° |
| H16 | C33 | C32 | H18 | 52.0° | 16.2° |
| H17 | C32 | C31 | H19 | 43.1° | 68.6° |
| H18 | C32 | C31 | H19 | 160.0° | 174.9° |
| H19 | C31 | C30 | H20 | 26.3° | 46.1° |
| H19 | C31 | C30 | H21 | 95.5° | 171.0° |
| H20 | C30 | C29 | H22 | 38.3° | 38.6° |
| H20 | C30 | C29 | H23 | 160.3° | 85.5° |
| H21 | C30 | C29 | H22 | 83.5° | 164.2° |
| H21 | C30 | C29 | H23 | 38.5° | 40.0° |
| H22 | C29 | C9 | H24 | 31.7° | 24.2° |
| H23 | C29 | C9 | H24 | 153.6° | 99.9° |
| H25 | N3 | C11 | H26 | 137.5° | 145.0° |
| H26 | C11 | C12 | H27 | 168.7° | 175.0° |
| H26 | C11 | C12 | H28 | 72.5° | 65.1° |
| H27 | C12 | C13 | H29 | 175.6° | 180.0° |
| H27 | C12 | C13 | H30 | 66.0° | 60.1° |
| H28 | C12 | C13 | H29 | 56.8° | 60.0° |
| H28 | C12 | C13 | H30 | 175.2° | 180.0° |
| H33 | N5 | C16 | H34 | 174.5° | 145.0° |
| H35 | C28 | C27 | H36 | 0.2° | 0.0° |
| H36 | C27 | C26 | H37 | 0.4° | 0.0° |
| H37 | C26 | C25 | H38 | 0.3° | 0.0° |
| H38 | C25 | C24 | H39 | 0.4° | 0.1° |
| H40 | C22 | C21 | H41 | 0.2° | 0.1° |
| H41 | C21 | C20 | H42 | 0.1° | 0.1° |
| H42 | C20 | C19 | H43 | 0.1° | 0.0° |
| H43 | C19 | C18 | H44 | 0.5° | 0.2° |
