NDX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7N | C7N | sing | 1.35Å | 1.33Å | |
| O7N | C7N | doub | 1.22Å | 1.24Å | |
| C7N | C3N | sing | 1.41Å | 1.48Å | |
| O1 | C3 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.50Å | 1.48Å | |
| C3 | N1 | sing | 1.34Å | 1.34Å | |
| C3N | C2N | doub | 1.35Å | 1.37Å | |
| C3N | C4N | sing | 1.50Å | 1.49Å | |
| C18 | C9 | sing | 1.53Å | 1.55Å | |
| C2N | N1N | sing | 1.37Å | 1.37Å | |
| C2 | C4N | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| N1 | C4 | sing | 1.45Å | 1.46Å | |
| C4N | C5N | sing | 1.50Å | 1.47Å | |
| N1N | C1D | sing | 1.47Å | 1.49Å | |
| N1N | C6N | sing | 1.39Å | 1.38Å | |
| C1 | C9 | sing | 1.53Å | 1.51Å | |
| C1D | O4D | sing | 1.44Å | 1.41Å | |
| C1D | C2D | sing | 1.54Å | 1.52Å | |
| O3D | C3D | sing | 1.43Å | 1.42Å | |
| C9 | C4 | sing | 1.53Å | 1.55Å | |
| C9 | C8 | sing | 1.53Å | 1.57Å | |
| O2D | C2D | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| O4D | C4D | sing | 1.44Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5N | C6N | doub | 1.31Å | 1.31Å | |
| C2D | C3D | sing | 1.54Å | 1.52Å | |
| C10 | C8 | sing | 1.52Å | 1.54Å | |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C3D | C4D | sing | 1.54Å | 1.53Å | |
| C4D | C5D | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.54Å | 1.54Å | |
| C17 | C12 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C13 | sing | 1.52Å | 1.52Å | |
| C11 | C12 | sing | 1.52Å | 1.52Å | |
| C23 | C20 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.57Å | 1.54Å | |
| C12 | C16 | sing | 1.53Å | 1.56Å | |
| C5D | O5D | sing | 1.43Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| O5D | PN | sing | 1.61Å | 1.60Å | |
| C14 | C15 | sing | 1.55Å | 1.54Å | |
| O2 | C19 | doub | 1.21Å | 1.23Å | |
| C16 | C19 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.56Å | 1.55Å | |
| C19 | N2 | sing | 1.35Å | 1.34Å | |
| C20 | N2 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| PN | O1N | doub | 1.48Å | 1.49Å | |
| PN | O2N | sing | 1.61Å | 1.49Å | |
| PN | O3 | sing | 1.61Å | 1.60Å | |
| O3 | PA | sing | 1.61Å | 1.60Å | |
| C5B | C4B | sing | 1.53Å | 1.51Å | |
| C5B | O5B | sing | 1.43Å | 1.45Å | |
| O2A | PA | doub | 1.48Å | 1.49Å | |
| PA | O5B | sing | 1.61Å | 1.60Å | |
| PA | O1A | sing | 1.61Å | 1.49Å | |
| C4B | C3B | sing | 1.55Å | 1.54Å | |
| C4B | O4B | sing | 1.44Å | 1.45Å | |
| O3B | C3B | sing | 1.43Å | 1.42Å | |
| C3B | C2B | sing | 1.55Å | 1.53Å | |
| O4B | C1B | sing | 1.44Å | 1.41Å | |
| C1B | C2B | sing | 1.55Å | 1.52Å | |
| C1B | N9A | sing | 1.46Å | 1.46Å | |
| C2B | O2B | sing | 1.43Å | 1.43Å | |
| O2X | P2B | doub | 1.48Å | 1.52Å | |
| C8A | N9A | sing | 1.36Å | 1.37Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.31Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.38Å | Aromatic |
| O2B | P2B | sing | 1.61Å | 1.61Å | |
| P2B | O1X | sing | 1.61Å | 1.52Å | |
| P2B | O3X | sing | 1.61Å | 1.52Å | |
| N7A | C5A | sing | 1.35Å | 1.39Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.34Å | Aromatic |
| C4A | C5A | doub | 1.41Å | 1.38Å | Aromatic |
| N3A | C2A | doub | 1.32Å | 1.33Å | Aromatic |
| C5A | C6A | sing | 1.41Å | 1.41Å | Aromatic |
| C2A | N1A | sing | 1.32Å | 1.34Å | Aromatic |
| C6A | N1A | doub | 1.33Å | 1.35Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| O3X | H38 | sing | 0.97Å | 0.95Å | |
| O1X | H39 | sing | 0.97Å | 0.95Å | |
| C2B | H40 | sing | 1.09Å | 1.10Å | |
| C1B | H41 | sing | 1.09Å | 1.10Å | |
| C2A | H42 | sing | 1.08Å | 1.08Å | |
| N6A | H43 | sing | 0.97Å | 1.00Å | |
| N6A | H44 | sing | 0.97Å | 1.00Å | |
| C8A | H45 | sing | 1.08Å | 1.08Å | |
| C3B | H46 | sing | 1.09Å | 1.10Å | |
| O3B | H47 | sing | 0.97Å | 0.95Å | |
| C4B | H48 | sing | 1.09Å | 1.10Å | |
| C5B | H49 | sing | 1.09Å | 1.10Å | |
| C5B | H50 | sing | 1.09Å | 1.10Å | |
| O1A | H51 | sing | 0.97Å | 0.95Å | |
| O2N | H52 | sing | 0.97Å | 0.95Å | |
| C5D | H53 | sing | 1.09Å | 1.10Å | |
| C5D | H54 | sing | 1.09Å | 1.10Å | |
| C4D | H55 | sing | 1.09Å | 1.10Å | |
| C3D | H56 | sing | 1.09Å | 1.10Å | |
| O3D | H57 | sing | 0.97Å | 0.95Å | |
| C2D | H58 | sing | 1.09Å | 1.10Å | |
| O2D | H59 | sing | 0.97Å | 0.95Å | |
| C1D | H60 | sing | 1.09Å | 1.10Å | |
| C6N | H61 | sing | 1.08Å | 1.08Å | |
| C5N | H62 | sing | 1.08Å | 1.08Å | |
| C2N | H63 | sing | 1.08Å | 1.08Å | |
| N7N | H64 | sing | 0.97Å | 1.00Å | |
| N7N | H65 | sing | 0.97Å | 1.00Å | |
| C4N | H66 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7N | C7N | O7N | 121.9° | 120.0° |
| N7N | C7N | C3N | 118.2° | 120.0° |
| C7N | N7N | H64 | 120.0° | 120.0° |
| C7N | N7N | H65 | 120.0° | 120.0° |
| O7N | C7N | C3N | 119.9° | 120.0° |
| C7N | C3N | C2N | 117.2° | 119.3° |
| C7N | C3N | C4N | 124.3° | 119.3° |
| O1 | C3 | C2 | 120.8° | 118.0° |
| O1 | C3 | N1 | 121.3° | 118.1° |
| C2 | C3 | N1 | 117.9° | 123.9° |
| C3 | C2 | C4N | 108.2° | 109.7° |
| C3 | C2 | C1 | 118.3° | 110.6° |
| C3 | C2 | H2 | 104.7° | 108.6° |
| C3 | N1 | C4 | 122.6° | 123.2° |
| C3 | N1 | H1 | 118.7° | 118.4° |
| C2N | C3N | C4N | 118.5° | 121.4° |
| C3N | C2N | N1N | 122.8° | 120.3° |
| C3N | C2N | H63 | 118.6° | 119.8° |
| C3N | C4N | C2 | 113.6° | 109.2° |
| C3N | C4N | C5N | 114.7° | 110.9° |
| C3N | C4N | H66 | 106.5° | 109.1° |
| C18 | C9 | C1 | 106.8° | 109.4° |
| C18 | C9 | C4 | 110.6° | 109.1° |
| C18 | C9 | C8 | 112.3° | 109.7° |
| C9 | C18 | H26 | 109.5° | 109.5° |
| C9 | C18 | H27 | 109.5° | 109.4° |
| C9 | C18 | H28 | 109.5° | 109.4° |
| C2N | N1N | C1D | 120.2° | 120.0° |
| C2N | N1N | C6N | 119.9° | 120.0° |
| N1N | C2N | H63 | 118.6° | 119.9° |
| C4N | C2 | C1 | 115.1° | 109.3° |
| C2 | C4N | C5N | 108.3° | 109.2° |
| C4N | C2 | H2 | 104.4° | 109.3° |
| C2 | C4N | H66 | 106.4° | 109.2° |
| C2 | C1 | C9 | 116.9° | 108.6° |
| C1 | C2 | H2 | 104.6° | 109.3° |
| C2 | C1 | H9 | 107.6° | 109.7° |
| C2 | C1 | H10 | 107.6° | 109.7° |
| N1 | C4 | C9 | 108.4° | 110.4° |
| N1 | C4 | C5 | 112.2° | 111.7° |
| C4 | N1 | H1 | 118.7° | 118.4° |
| N1 | C4 | H4 | 108.9° | 108.8° |
| C4N | C5N | C6N | 121.8° | 121.8° |
| C4N | C5N | H62 | 119.1° | 119.1° |
| C5N | C4N | H66 | 106.8° | 109.2° |
| C1D | N1N | C6N | 119.9° | 120.0° |
| N1N | C1D | O4D | 107.9° | 110.4° |
| N1N | C1D | C2D | 111.9° | 110.5° |
| N1N | C1D | H60 | 111.1° | 110.4° |
| N1N | C6N | C5N | 122.2° | 121.0° |
| N1N | C6N | H61 | 118.9° | 119.5° |
| C1 | C9 | C4 | 107.8° | 108.6° |
| C1 | C9 | C8 | 110.5° | 110.9° |
| C9 | C1 | H9 | 107.6° | 109.6° |
| C9 | C1 | H10 | 107.5° | 109.6° |
| O4D | C1D | C2D | 102.5° | 104.9° |
| C1D | O4D | C4D | 109.7° | 105.2° |
| O4D | C1D | H60 | 112.4° | 110.4° |
| C1D | C2D | O2D | 112.8° | 110.6° |
| C1D | C2D | C3D | 100.8° | 104.1° |
| C1D | C2D | H58 | 109.1° | 110.6° |
| C2D | C1D | H60 | 110.6° | 110.2° |
| O3D | C3D | C2D | 109.9° | 110.6° |
| O3D | C3D | C4D | 110.4° | 110.5° |
| O3D | C3D | H56 | 112.9° | 110.4° |
| C3D | O3D | H57 | 109.5° | 114.0° |
| C4 | C9 | C8 | 108.8° | 109.1° |
| C9 | C4 | C5 | 111.3° | 109.3° |
| C9 | C4 | H4 | 107.8° | 107.9° |
| C9 | C8 | C10 | 114.7° | 109.8° |
| C9 | C8 | C7 | 111.1° | 108.7° |
| C9 | C8 | H12 | 106.1° | 109.0° |
| O2D | C2D | C3D | 113.9° | 110.5° |
| O2D | C2D | H58 | 110.6° | 110.4° |
| C2D | O2D | H59 | 109.5° | 114.0° |
| C4 | C5 | C6 | 111.2° | 109.0° |
| C5 | C4 | H4 | 108.1° | 108.7° |
| C4 | C5 | H5 | 109.0° | 109.6° |
| C4 | C5 | H6 | 109.0° | 109.5° |
| O4D | C4D | C3D | 105.6° | 104.9° |
| O4D | C4D | C5D | 108.6° | 110.4° |
| O4D | C4D | H55 | 109.4° | 110.4° |
| C5 | C6 | C7 | 112.0° | 109.9° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C6 | C5 | H6 | 109.0° | 109.5° |
| C5 | C6 | H7 | 108.8° | 109.4° |
| C5 | C6 | H8 | 108.8° | 109.4° |
| C5N | C6N | H61 | 118.9° | 119.5° |
| C6N | C5N | H62 | 119.1° | 119.1° |
| C2D | C3D | C4D | 100.5° | 104.0° |
| C2D | C3D | H56 | 111.3° | 110.5° |
| C3D | C2D | H58 | 109.2° | 110.5° |
| C8 | C10 | C11 | 113.4° | 111.3° |
| C10 | C8 | C7 | 111.6° | 111.4° |
| C10 | C8 | H12 | 106.4° | 109.0° |
| C8 | C10 | H13 | 108.5° | 109.1° |
| C8 | C10 | H14 | 108.5° | 109.1° |
| C10 | C11 | C12 | 111.6° | 107.3° |
| C11 | C10 | H13 | 108.5° | 109.1° |
| C11 | C10 | H14 | 108.5° | 109.1° |
| C10 | C11 | H15 | 109.0° | 109.9° |
| C10 | C11 | H16 | 109.0° | 109.9° |
| C3D | C4D | C5D | 116.2° | 110.4° |
| C3D | C4D | H55 | 108.2° | 110.3° |
| C4D | C3D | H56 | 111.1° | 110.5° |
| C4D | C5D | O5D | 109.8° | 109.5° |
| C4D | C5D | H53 | 109.4° | 109.5° |
| C4D | C5D | H54 | 109.4° | 109.5° |
| C5D | C4D | H55 | 108.6° | 110.3° |
| C8 | C7 | C6 | 110.6° | 109.6° |
| C8 | C7 | C13 | 109.4° | 107.2° |
| C8 | C7 | H11 | 108.1° | 110.2° |
| C7 | C8 | H12 | 106.3° | 109.0° |
| C17 | C12 | C11 | 110.9° | 109.7° |
| C17 | C12 | C13 | 112.4° | 110.1° |
| C17 | C12 | C16 | 110.3° | 109.7° |
| C12 | C17 | H23 | 109.5° | 109.4° |
| C12 | C17 | H24 | 109.5° | 109.5° |
| C12 | C17 | H25 | 109.5° | 109.5° |
| C6 | C7 | C13 | 112.0° | 110.5° |
| C7 | C6 | H7 | 108.9° | 109.4° |
| C7 | C6 | H8 | 108.8° | 109.4° |
| C6 | C7 | H11 | 108.3° | 109.7° |
| C7 | C13 | C12 | 114.4° | 106.3° |
| C7 | C13 | C14 | 119.0° | 115.9° |
| C13 | C7 | H11 | 108.4° | 109.7° |
| C7 | C13 | H17 | 106.1° | 110.3° |
| C11 | C12 | C13 | 106.5° | 107.3° |
| C11 | C12 | C16 | 116.6° | 116.6° |
| C12 | C11 | H15 | 108.9° | 109.9° |
| C12 | C11 | H16 | 108.9° | 109.9° |
| C23 | C20 | N2 | 108.7° | 109.5° |
| C23 | C20 | C21 | 109.9° | 109.5° |
| C23 | C20 | C22 | 110.3° | 109.5° |
| C20 | C23 | H35 | 109.5° | 109.5° |
| C20 | C23 | H36 | 109.5° | 109.5° |
| C20 | C23 | H37 | 109.5° | 109.5° |
| C13 | C12 | C16 | 99.6° | 103.2° |
| C12 | C13 | C14 | 104.5° | 101.6° |
| C12 | C13 | H17 | 105.9° | 111.2° |
| C12 | C16 | C19 | 115.1° | 110.3° |
| C12 | C16 | C15 | 103.8° | 105.3° |
| C12 | C16 | H22 | 107.5° | 110.2° |
| C5D | O5D | PN | 117.4° | 123.0° |
| O5D | C5D | H53 | 109.4° | 109.5° |
| O5D | C5D | H54 | 109.4° | 109.5° |
| C13 | C14 | C15 | 104.5° | 102.9° |
| C14 | C13 | H17 | 106.0° | 111.0° |
| C13 | C14 | H18 | 110.7° | 110.7° |
| C13 | C14 | H19 | 110.7° | 110.8° |
| O5D | PN | O1N | 109.9° | 109.5° |
| O5D | PN | O2N | 109.3° | 109.5° |
| O5D | PN | O3 | 100.1° | 109.5° |
| C14 | C15 | C16 | 106.3° | 106.2° |
| C15 | C14 | H18 | 110.7° | 110.7° |
| C15 | C14 | H19 | 110.7° | 110.7° |
| C14 | C15 | H20 | 110.3° | 110.0° |
| C14 | C15 | H21 | 110.3° | 110.1° |
| O2 | C19 | C16 | 120.9° | 120.0° |
| O2 | C19 | N2 | 123.6° | 120.0° |
| C19 | C16 | C15 | 114.6° | 111.2° |
| C16 | C19 | N2 | 115.4° | 120.0° |
| C19 | C16 | H22 | 107.9° | 110.3° |
| C16 | C15 | H20 | 110.3° | 109.1° |
| C16 | C15 | H21 | 110.3° | 111.3° |
| C15 | C16 | H22 | 107.5° | 109.4° |
| C19 | N2 | C20 | 126.3° | 120.1° |
| C19 | N2 | H3 | 116.8° | 120.0° |
| N2 | C20 | C21 | 108.3° | 109.4° |
| N2 | C20 | C22 | 109.9° | 109.5° |
| C20 | N2 | H3 | 116.9° | 119.9° |
| C21 | C20 | C22 | 109.7° | 109.5° |
| C20 | C21 | H29 | 109.5° | 109.5° |
| C20 | C21 | H30 | 109.4° | 109.5° |
| C20 | C21 | H31 | 109.4° | 109.5° |
| C20 | C22 | H32 | 109.5° | 109.5° |
| C20 | C22 | H33 | 109.5° | 109.4° |
| C20 | C22 | H34 | 109.5° | 109.5° |
| O1N | PN | O2N | 118.0° | 109.5° |
| O1N | PN | O3 | 109.3° | 109.5° |
| O2N | PN | O3 | 108.8° | 109.5° |
| PN | O2N | H52 | 109.5° | 113.9° |
| PN | O3 | PA | 135.1° | 134.0° |
| O3 | PA | O2A | 109.0° | 109.5° |
| O3 | PA | O5B | 101.1° | 109.5° |
| O3 | PA | O1A | 109.1° | 109.5° |
| C4B | C5B | O5B | 109.4° | 109.4° |
| C5B | C4B | C3B | 116.0° | 110.4° |
| C5B | C4B | O4B | 108.6° | 110.3° |
| C5B | C4B | H48 | 108.7° | 110.4° |
| C4B | C5B | H49 | 109.5° | 109.5° |
| C4B | C5B | H50 | 109.5° | 109.5° |
| C5B | O5B | PA | 118.6° | 123.0° |
| O5B | C5B | H49 | 109.4° | 109.5° |
| O5B | C5B | H50 | 109.5° | 109.4° |
| O2A | PA | O5B | 108.9° | 109.5° |
| O2A | PA | O1A | 117.6° | 109.4° |
| O5B | PA | O1A | 109.8° | 109.5° |
| PA | O1A | H51 | 109.5° | 114.0° |
| C3B | C4B | O4B | 105.7° | 104.8° |
| C4B | C3B | O3B | 109.8° | 110.7° |
| C4B | C3B | C2B | 102.4° | 103.9° |
| C4B | C3B | H46 | 110.3° | 110.6° |
| C3B | C4B | H48 | 108.4° | 110.3° |
| C4B | O4B | C1B | 110.7° | 105.3° |
| O4B | C4B | H48 | 109.4° | 110.5° |
| O3B | C3B | C2B | 111.7° | 110.5° |
| O3B | C3B | H46 | 112.0° | 110.5° |
| C3B | O3B | H47 | 109.5° | 114.0° |
| C3B | C2B | C1B | 102.1° | 104.2° |
| C3B | C2B | O2B | 114.6° | 110.5° |
| C3B | C2B | H40 | 109.1° | 110.5° |
| C2B | C3B | H46 | 110.4° | 110.5° |
| O4B | C1B | C2B | 105.8° | 104.8° |
| O4B | C1B | N9A | 106.9° | 110.4° |
| O4B | C1B | H41 | 111.1° | 110.5° |
| C2B | C1B | N9A | 113.1° | 110.3° |
| C1B | C2B | O2B | 111.1° | 110.5° |
| C1B | C2B | H40 | 109.1° | 110.6° |
| C2B | C1B | H41 | 109.4° | 110.4° |
| C1B | N9A | C8A | 125.2° | 126.3° |
| C1B | N9A | C4A | 128.5° | 126.3° |
| N9A | C1B | H41 | 110.4° | 110.4° |
| C2B | O2B | P2B | 113.2° | 122.9° |
| O2B | C2B | H40 | 110.5° | 110.5° |
| O2X | P2B | O2B | 109.7° | 109.5° |
| O2X | P2B | O1X | 112.2° | 109.5° |
| O2X | P2B | O3X | 112.3° | 109.5° |
| N9A | C8A | N7A | 113.2° | 110.0° |
| C8A | N9A | C4A | 106.2° | 107.4° |
| N9A | C8A | H45 | 123.4° | 125.0° |
| C8A | N7A | C5A | 104.7° | 109.5° |
| N7A | C8A | H45 | 123.4° | 125.1° |
| N9A | C4A | N3A | 128.0° | 134.9° |
| N9A | C4A | C5A | 105.7° | 106.0° |
| O2B | P2B | O1X | 106.5° | 109.5° |
| O2B | P2B | O3X | 103.2° | 109.4° |
| O1X | P2B | O3X | 112.4° | 109.5° |
| P2B | O1X | H39 | 109.5° | 114.0° |
| P2B | O3X | H38 | 109.5° | 114.0° |
| N7A | C5A | C4A | 110.3° | 107.1° |
| N7A | C5A | C6A | 132.2° | 134.7° |
| N3A | C4A | C5A | 126.4° | 119.1° |
| C4A | N3A | C2A | 110.9° | 120.7° |
| C4A | C5A | C6A | 117.5° | 118.2° |
| N3A | C2A | N1A | 129.5° | 122.4° |
| N3A | C2A | H42 | 115.3° | 118.8° |
| C5A | C6A | N1A | 117.4° | 118.4° |
| C5A | C6A | N6A | 123.6° | 120.8° |
| C2A | N1A | C6A | 118.4° | 121.2° |
| N1A | C2A | H42 | 115.3° | 118.7° |
| N1A | C6A | N6A | 119.0° | 120.8° |
| C6A | N6A | H43 | 109.5° | 120.0° |
| C6A | N6A | H44 | 109.5° | 120.0° |
| H5 | C5 | H6 | 109.5° | 109.6° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.5° | 109.7° |
| H13 | C10 | H14 | 109.5° | 109.1° |
| H15 | C11 | H16 | 109.5° | 109.9° |
| H18 | C14 | H19 | 109.5° | 110.7° |
| H20 | C15 | H21 | 109.4° | 110.1° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H23 | C17 | H25 | 109.5° | 109.5° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H26 | C18 | H28 | 109.4° | 109.6° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.4° | 109.4° |
| H29 | C21 | H31 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| H32 | C22 | H33 | 109.5° | 109.5° |
| H32 | C22 | H34 | 109.5° | 109.5° |
| H33 | C22 | H34 | 109.4° | 109.5° |
| H35 | C23 | H36 | 109.5° | 109.5° |
| H35 | C23 | H37 | 109.5° | 109.4° |
| H36 | C23 | H37 | 109.5° | 109.4° |
| H43 | N6A | H44 | 109.5° | 120.0° |
| H49 | C5B | H50 | 109.5° | 109.5° |
| H53 | C5D | H54 | 109.5° | 109.5° |
| H64 | N7N | H65 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7N | C7N | O7N | C3N | 179.7° | 180.0° |
| N7N | C7N | C3N | C2N | 6.7° | 7.5° |
| N7N | C7N | C3N | C4N | 173.6° | 173.1° |
| C7N | N7N | H64 | H65 | 180.0° | 180.0° |
| O7N | C7N | C3N | C2N | 173.7° | 172.5° |
| O7N | C7N | C3N | C4N | 6.1° | 6.9° |
| O7N | C7N | N7N | H64 | 0.0° | 175.0° |
| O7N | C7N | N7N | H65 | 180.0° | 5.0° |
| C7N | C3N | C2N | C4N | 179.8° | 179.4° |
| C7N | C3N | C2N | N1N | 179.3° | 179.5° |
| C7N | C3N | C4N | C2 | 55.8° | 76.1° |
| C7N | C3N | C4N | C5N | 178.8° | 163.5° |
| C7N | C3N | C2N | H63 | 0.7° | 1.0° |
| C3N | C7N | N7N | H64 | 179.7° | 5.0° |
| C3N | C7N | N7N | H65 | 0.3° | 175.0° |
| C7N | C3N | C4N | H66 | 60.9° | 43.2° |
| O1 | C3 | C2 | N1 | 178.1° | 180.0° |
| O1 | C3 | C2 | C4N | 65.0° | 43.4° |
| O1 | C3 | C2 | C1 | 161.8° | 164.1° |
| O1 | C3 | N1 | C4 | 175.7° | 176.1° |
| O1 | C3 | N1 | H1 | 4.3° | 3.5° |
| O1 | C3 | C2 | H2 | 45.9° | 76.0° |
| C3 | C2 | C4N | C3N | 78.9° | 178.6° |
| C3 | C2 | C4N | C1 | 134.9° | 121.4° |
| C3 | C2 | C4N | H2 | 111.1° | 119.0° |
| C3 | C2 | C1 | H2 | 115.9° | 119.5° |
| C2 | C3 | N1 | C4 | 6.2° | 3.9° |
| C3 | C2 | C4N | C5N | 49.8° | 60.0° |
| C3 | C2 | C1 | C9 | 3.4° | 46.4° |
| C2 | C3 | N1 | H1 | 173.8° | 176.5° |
| C3 | C2 | C1 | H9 | 117.7° | 73.4° |
| C3 | C2 | C1 | H10 | 124.5° | 166.1° |
| C3 | C2 | C4N | H66 | 164.3° | 59.4° |
| N1 | C3 | C2 | C4N | 116.8° | 136.6° |
| N1 | C3 | C2 | C1 | 16.3° | 16.0° |
| C3 | N1 | C4 | H1 | 180.0° | 179.6° |
| C3 | N1 | C4 | C9 | 44.9° | 22.8° |
| C3 | N1 | C4 | C5 | 168.2° | 144.7° |
| N1 | C3 | C2 | H2 | 132.3° | 104.0° |
| C3 | N1 | C4 | H4 | 72.1° | 95.4° |
| C3N | C2N | N1N | H63 | 180.0° | 179.4° |
| C2N | C3N | C4N | C2 | 124.4° | 104.5° |
| C2N | C3N | C4N | C5N | 1.0° | 15.9° |
| C3N | C2N | N1N | C1D | 179.5° | 162.2° |
| C3N | C2N | N1N | C6N | 0.3° | 18.1° |
| C2N | C3N | C4N | H66 | 118.9° | 136.2° |
| C4N | C3N | C2N | N1N | 0.5° | 0.1° |
| C3N | C4N | C2 | C5N | 128.7° | 121.4° |
| C3N | C4N | C2 | H66 | 116.8° | 119.2° |
| C3N | C4N | C2 | C1 | 146.2° | 57.2° |
| C3N | C4N | C5N | H66 | 117.7° | 120.3° |
| C3N | C4N | C5N | C6N | 0.8° | 16.1° |
| C3N | C4N | C2 | H2 | 32.2° | 62.4° |
| C3N | C4N | C5N | H62 | 179.2° | 164.0° |
| C4N | C3N | C2N | H63 | 179.5° | 179.6° |
| C18 | C9 | C1 | C2 | 78.4° | 52.1° |
| C18 | C9 | C4 | N1 | 57.3° | 65.6° |
| C18 | C9 | C1 | C4 | 118.8° | 119.0° |
| C18 | C9 | C1 | C8 | 122.4° | 121.2° |
| C18 | C9 | C4 | C8 | 123.8° | 119.8° |
| C18 | C9 | C4 | C5 | 66.6° | 57.6° |
| C18 | C9 | C8 | C10 | 62.0° | 64.0° |
| C18 | C9 | C8 | C7 | 65.8° | 58.1° |
| C18 | C9 | C4 | H4 | 175.0° | 175.6° |
| C18 | C9 | C1 | H9 | 160.5° | 171.9° |
| C18 | C9 | C1 | H10 | 42.7° | 67.7° |
| C18 | C9 | C8 | H12 | 179.1° | 176.8° |
| C9 | C18 | H26 | H27 | 120.0° | 119.9° |
| C9 | C18 | H26 | H28 | 120.0° | 120.0° |
| C9 | C18 | H27 | H28 | 120.0° | 119.9° |
| C2N | N1N | C1D | C6N | 179.2° | 179.7° |
| C2N | N1N | C1D | O4D | 151.3° | 126.7° |
| C2N | N1N | C1D | C2D | 96.6° | 117.8° |
| C2N | N1N | C6N | C5N | 0.6° | 18.0° |
| C2N | N1N | C1D | H60 | 27.6° | 4.4° |
| C2N | N1N | C6N | H61 | 179.4° | 161.9° |
| C4N | C2 | C1 | H2 | 114.0° | 119.6° |
| C2 | C4N | C5N | H66 | 114.2° | 119.4° |
| C4N | C2 | C1 | C9 | 133.5° | 167.2° |
| C2 | C4N | C5N | C6N | 127.3° | 104.2° |
| C4N | C2 | C1 | H9 | 12.4° | 47.5° |
| C4N | C2 | C1 | H10 | 105.4° | 73.1° |
| C2 | C4N | C5N | H62 | 52.7° | 75.7° |
| C1 | C2 | C4N | C5N | 85.1° | 178.6° |
| C2 | C1 | C9 | H9 | 121.1° | 119.8° |
| C2 | C1 | C9 | H10 | 121.1° | 119.8° |
| C2 | C1 | C9 | C4 | 40.4° | 66.9° |
| C2 | C1 | C9 | C8 | 159.2° | 173.3° |
| C2 | C1 | H9 | H10 | 116.6° | 120.6° |
| C1 | C2 | C4N | H66 | 29.4° | 62.0° |
| N1 | C4 | C9 | C1 | 59.1° | 53.6° |
| N1 | C4 | C9 | C5 | 123.9° | 123.3° |
| N1 | C4 | C9 | H4 | 117.7° | 118.7° |
| N1 | C4 | C9 | C8 | 178.9° | 174.6° |
| N1 | C4 | C5 | H4 | 120.1° | 120.0° |
| N1 | C4 | C5 | C6 | 178.7° | 176.9° |
| N1 | C4 | C5 | H5 | 58.4° | 63.3° |
| N1 | C4 | C5 | H6 | 61.0° | 57.0° |
| C4N | C5N | C6N | N1N | 0.1° | 0.3° |
| C4N | C5N | C6N | H62 | 180.0° | 179.9° |
| C5N | C4N | C2 | H2 | 160.9° | 59.0° |
| C4N | C5N | C6N | H61 | 180.0° | 179.7° |
| N1N | C1D | O4D | C2D | 118.3° | 119.0° |
| N1N | C1D | O4D | H60 | 122.9° | 122.3° |
| N1N | C1D | C2D | H60 | 124.6° | 122.3° |
| N1N | C1D | C2D | O2D | 78.2° | 98.5° |
| N1N | C1D | O4D | C4D | 148.5° | 159.3° |
| C1D | N1N | C6N | C5N | 179.7° | 162.2° |
| N1N | C1D | C2D | C3D | 159.9° | 142.8° |
| N1N | C1D | C2D | H58 | 45.1° | 24.1° |
| C1D | N1N | C6N | H61 | 0.3° | 17.8° |
| C1D | N1N | C2N | H63 | 0.5° | 17.2° |
| C6N | N1N | C1D | O4D | 29.5° | 53.5° |
| C6N | N1N | C1D | C2D | 82.5° | 62.0° |
| N1N | C6N | C5N | H61 | 180.0° | 180.0° |
| C6N | N1N | C1D | H60 | 153.2° | 175.9° |
| N1N | C6N | C5N | H62 | 179.9° | 179.8° |
| C6N | N1N | C2N | H63 | 179.7° | 162.5° |
| C1 | C9 | C4 | C8 | 119.9° | 121.0° |
| C1 | C9 | C4 | C5 | 177.1° | 176.8° |
| C1 | C9 | C8 | C10 | 57.1° | 57.0° |
| C1 | C9 | C8 | C7 | 175.1° | 179.1° |
| C9 | C1 | C2 | H2 | 112.5° | 73.2° |
| C1 | C9 | C4 | H4 | 58.7° | 65.2° |
| C9 | C1 | H9 | H10 | 116.6° | 120.4° |
| C1 | C9 | C8 | H12 | 60.0° | 62.2° |
| C1 | C9 | C18 | H26 | 180.0° | 60.0° |
| C1 | C9 | C18 | H27 | 60.0° | 180.0° |
| C1 | C9 | C18 | H28 | 60.0° | 60.1° |
| O4D | C1D | C2D | H60 | 120.1° | 118.8° |
| O4D | C1D | C2D | O2D | 166.4° | 142.6° |
| O4D | C1D | C2D | C3D | 44.6° | 23.9° |
| C1D | O4D | C4D | C3D | 3.8° | 40.3° |
| C1D | O4D | C4D | C5D | 129.1° | 159.2° |
| C1D | O4D | C4D | H55 | 112.5° | 78.5° |
| O4D | C1D | C2D | H58 | 70.2° | 94.8° |
| C1D | C2D | C3D | O3D | 75.4° | 118.7° |
| C1D | C2D | O2D | C3D | 114.1° | 114.7° |
| C1D | C2D | O2D | H58 | 122.5° | 122.7° |
| C2D | C1D | O4D | C4D | 30.2° | 40.4° |
| C1D | C2D | C3D | H58 | 114.8° | 118.7° |
| C1D | C2D | C3D | C4D | 41.0° | 0.0° |
| C1D | C2D | C3D | H56 | 158.7° | 118.7° |
| C1D | C2D | O2D | H59 | 180.0° | 176.2° |
| O3D | C3D | C2D | O2D | 45.6° | 0.1° |
| O3D | C3D | C4D | O4D | 92.0° | 142.7° |
| O3D | C3D | C2D | C4D | 116.4° | 118.7° |
| O3D | C3D | C2D | H56 | 125.8° | 122.6° |
| O3D | C3D | C4D | H56 | 126.1° | 122.6° |
| O3D | C3D | C4D | C5D | 147.6° | 98.4° |
| O3D | C3D | C4D | H55 | 25.1° | 23.8° |
| O3D | C3D | C2D | H58 | 169.8° | 122.6° |
| C9 | C4 | C5 | H4 | 118.2° | 117.5° |
| C9 | C4 | C5 | C6 | 57.0° | 60.6° |
| C4 | C9 | C8 | C10 | 175.3° | 176.6° |
| C4 | C9 | C8 | C7 | 57.0° | 61.4° |
| C9 | C4 | N1 | H1 | 135.1° | 157.6° |
| C9 | C4 | C5 | H5 | 63.2° | 59.2° |
| C9 | C4 | C5 | H6 | 177.3° | 179.5° |
| C4 | C9 | C1 | H9 | 80.7° | 52.9° |
| C4 | C9 | C1 | H10 | 161.5° | 173.3° |
| C4 | C9 | C8 | H12 | 58.1° | 57.3° |
| C4 | C9 | C18 | H26 | 63.0° | 58.6° |
| C4 | C9 | C18 | H27 | 176.9° | 61.3° |
| C4 | C9 | C18 | H28 | 56.9° | 178.7° |
| C8 | C9 | C4 | C5 | 57.2° | 62.2° |
| C9 | C8 | C10 | C7 | 127.5° | 120.4° |
| C9 | C8 | C10 | H12 | 117.0° | 119.3° |
| C9 | C8 | C10 | C11 | 178.2° | 175.5° |
| C9 | C8 | C7 | H12 | 115.0° | 118.6° |
| C9 | C8 | C7 | C6 | 56.5° | 60.1° |
| C9 | C8 | C7 | C13 | 179.7° | 179.9° |
| C8 | C9 | C4 | H4 | 61.2° | 55.8° |
| C8 | C9 | C1 | H9 | 38.1° | 67.0° |
| C8 | C9 | C1 | H10 | 79.7° | 53.5° |
| C9 | C8 | C7 | H11 | 61.9° | 60.6° |
| C9 | C8 | C10 | H13 | 61.2° | 64.1° |
| C9 | C8 | C10 | H14 | 57.6° | 55.0° |
| C8 | C9 | C18 | H26 | 58.7° | 178.1° |
| C8 | C9 | C18 | H27 | 61.3° | 58.1° |
| C8 | C9 | C18 | H28 | 178.7° | 61.8° |
| O2D | C2D | C3D | H58 | 124.1° | 122.5° |
| O2D | C2D | C3D | C4D | 162.1° | 118.8° |
| O2D | C2D | C3D | H56 | 80.2° | 122.5° |
| O2D | C2D | C1D | H60 | 46.3° | 23.8° |
| C4 | C5 | C6 | H5 | 120.3° | 119.9° |
| C4 | C5 | C6 | H6 | 120.2° | 119.8° |
| C4 | C5 | C6 | C7 | 55.9° | 59.4° |
| C5 | C4 | N1 | H1 | 11.8° | 35.7° |
| C4 | C5 | H5 | H6 | 119.2° | 120.2° |
| C4 | C5 | C6 | H7 | 176.3° | 179.5° |
| C4 | C5 | C6 | H8 | 64.5° | 60.6° |
| O4D | C4D | C3D | C2D | 24.1° | 23.9° |
| O4D | C4D | C3D | C5D | 120.5° | 118.9° |
| O4D | C4D | C3D | H55 | 117.0° | 118.9° |
| O4D | C4D | C5D | H55 | 118.9° | 122.3° |
| O4D | C4D | C5D | O5D | 47.3° | 67.9° |
| O4D | C4D | C5D | H53 | 72.7° | 52.1° |
| O4D | C4D | C5D | H54 | 167.3° | 172.1° |
| O4D | C4D | C3D | H56 | 142.0° | 94.8° |
| C4D | O4D | C1D | H60 | 88.6° | 78.3° |
| C5 | C6 | C7 | C8 | 55.5° | 59.4° |
| C5 | C6 | C7 | H7 | 120.4° | 120.1° |
| C5 | C6 | C7 | H8 | 120.3° | 120.1° |
| C5 | C6 | C7 | C13 | 177.8° | 177.3° |
| C6 | C5 | C4 | H4 | 61.2° | 56.9° |
| C6 | C5 | H5 | H6 | 119.2° | 120.2° |
| C5 | C6 | H7 | H8 | 118.8° | 119.8° |
| C5 | C6 | C7 | H11 | 62.8° | 61.7° |
| C6N | C5N | C4N | H66 | 118.5° | 136.4° |
| C2D | C3D | C4D | H56 | 117.9° | 118.7° |
| C2D | C3D | C4D | C5D | 96.4° | 142.8° |
| C2D | C3D | C4D | H55 | 141.1° | 95.0° |
| C2D | C3D | O3D | H57 | 180.0° | 65.3° |
| C3D | C2D | O2D | H59 | 65.9° | 61.5° |
| C3D | C2D | C1D | H60 | 75.5° | 94.9° |
| C8 | C10 | C11 | H13 | 120.6° | 120.5° |
| C8 | C10 | C11 | H14 | 120.6° | 120.5° |
| C10 | C8 | C7 | H12 | 115.6° | 120.3° |
| C10 | C8 | C7 | C6 | 174.1° | 178.8° |
| C10 | C8 | C7 | C13 | 50.3° | 58.8° |
| C8 | C10 | C11 | C12 | 55.5° | 57.4° |
| C10 | C8 | C7 | H11 | 67.5° | 60.4° |
| C8 | C10 | H13 | H14 | 118.2° | 119.1° |
| C8 | C10 | C11 | H15 | 64.8° | 62.0° |
| C8 | C10 | C11 | H16 | 175.8° | 176.9° |
| C11 | C10 | C8 | C7 | 50.8° | 55.1° |
| C10 | C11 | C12 | C17 | 65.2° | 55.0° |
| C10 | C11 | C12 | H15 | 120.3° | 119.5° |
| C10 | C11 | C12 | H16 | 120.3° | 119.5° |
| C10 | C11 | C12 | C13 | 57.4° | 64.5° |
| C10 | C11 | C12 | C16 | 167.5° | 179.6° |
| C11 | C10 | C8 | H12 | 64.8° | 65.3° |
| C11 | C10 | H13 | H14 | 118.2° | 119.1° |
| C10 | C11 | H15 | H16 | 119.1° | 121.0° |
| C3D | C4D | C5D | H55 | 122.3° | 122.2° |
| C3D | C4D | C5D | O5D | 71.5° | 176.5° |
| C3D | C4D | C5D | H53 | 168.4° | 63.5° |
| C3D | C4D | C5D | H54 | 48.5° | 56.5° |
| C4D | C3D | O3D | H57 | 70.0° | 180.0° |
| C4D | C3D | C2D | H58 | 73.8° | 118.7° |
| C4D | C5D | O5D | H53 | 120.0° | 120.0° |
| C4D | C5D | O5D | H54 | 120.0° | 120.0° |
| C4D | C5D | O5D | PN | 163.8° | 180.0° |
| C4D | C5D | H53 | H54 | 119.9° | 120.0° |
| C5D | C4D | C3D | H56 | 21.5° | 24.2° |
| C8 | C7 | C6 | C13 | 122.3° | 117.9° |
| C8 | C7 | C6 | H11 | 118.3° | 121.1° |
| C8 | C7 | C13 | H11 | 117.6° | 119.6° |
| C8 | C7 | C13 | C12 | 57.9° | 65.2° |
| C8 | C7 | C13 | C14 | 177.7° | 177.2° |
| C8 | C7 | C6 | H7 | 175.9° | 179.5° |
| C8 | C7 | C6 | H8 | 64.9° | 60.7° |
| C7 | C8 | C10 | H13 | 171.4° | 175.5° |
| C7 | C8 | C10 | H14 | 69.8° | 65.4° |
| C8 | C7 | C13 | H17 | 58.5° | 55.6° |
| C17 | C12 | C13 | C7 | 60.6° | 49.1° |
| C17 | C12 | C11 | C13 | 122.6° | 119.6° |
| C17 | C12 | C11 | C16 | 127.4° | 125.4° |
| C17 | C12 | C13 | C16 | 116.8° | 117.0° |
| C17 | C12 | C13 | C14 | 71.2° | 72.6° |
| C17 | C12 | C16 | C19 | 49.4° | 31.2° |
| C17 | C12 | C16 | C15 | 76.6° | 88.9° |
| C17 | C12 | C11 | H15 | 174.5° | 174.5° |
| C17 | C12 | C11 | H16 | 55.2° | 64.4° |
| C17 | C12 | C13 | H17 | 177.1° | 169.2° |
| C17 | C12 | C16 | H22 | 169.7° | 153.2° |
| C12 | C17 | H23 | H24 | 120.0° | 120.0° |
| C12 | C17 | H23 | H25 | 120.0° | 120.0° |
| C12 | C17 | H24 | H25 | 120.0° | 120.1° |
| C6 | C7 | C13 | H11 | 119.4° | 121.0° |
| C6 | C7 | C13 | C12 | 179.1° | 175.4° |
| C6 | C7 | C13 | C14 | 54.8° | 63.4° |
| C7 | C6 | C5 | H5 | 64.4° | 60.4° |
| C7 | C6 | C5 | H6 | 176.1° | 179.3° |
| C7 | C6 | H7 | H8 | 118.8° | 119.8° |
| C6 | C7 | C8 | H12 | 58.5° | 58.5° |
| C6 | C7 | C13 | H17 | 64.5° | 63.8° |
| C7 | C13 | C12 | C11 | 61.0° | 70.3° |
| C7 | C13 | C12 | C14 | 131.8° | 121.6° |
| C7 | C13 | C12 | H17 | 116.5° | 120.1° |
| C7 | C13 | C12 | C16 | 177.4° | 166.0° |
| C7 | C13 | C14 | H17 | 119.3° | 126.9° |
| C7 | C13 | C14 | C15 | 160.9° | 157.2° |
| C13 | C7 | C6 | H7 | 61.9° | 62.6° |
| C13 | C7 | C6 | H8 | 57.4° | 57.3° |
| C13 | C7 | C8 | H12 | 65.3° | 61.5° |
| C7 | C13 | C14 | H18 | 41.6° | 38.8° |
| C7 | C13 | C14 | H19 | 79.9° | 84.4° |
| C11 | C12 | C13 | C16 | 121.6° | 123.7° |
| C11 | C12 | C13 | C14 | 167.2° | 168.1° |
| C11 | C12 | C16 | C19 | 78.2° | 94.2° |
| C11 | C12 | C16 | C15 | 155.7° | 145.7° |
| C12 | C11 | C10 | H13 | 176.1° | 177.9° |
| C12 | C11 | C10 | H14 | 65.1° | 63.0° |
| C12 | C11 | H15 | H16 | 119.0° | 121.1° |
| C11 | C12 | C13 | H17 | 55.5° | 49.9° |
| C11 | C12 | C16 | H22 | 42.0° | 27.8° |
| C11 | C12 | C17 | H23 | 180.0° | 57.6° |
| C11 | C12 | C17 | H24 | 60.0° | 177.6° |
| C11 | C12 | C17 | H25 | 60.0° | 62.3° |
| C23 | C20 | N2 | C19 | 60.8° | 60.0° |
| C23 | C20 | N2 | C21 | 119.4° | 120.0° |
| C23 | C20 | N2 | C22 | 120.8° | 120.0° |
| C23 | C20 | C21 | C22 | 121.4° | 120.0° |
| C23 | C20 | N2 | H3 | 119.2° | 120.0° |
| C23 | C20 | C21 | H29 | 180.0° | 179.9° |
| C23 | C20 | C21 | H30 | 60.0° | 60.1° |
| C23 | C20 | C21 | H31 | 60.0° | 60.0° |
| C23 | C20 | C22 | H32 | 180.0° | 60.0° |
| C23 | C20 | C22 | H33 | 60.0° | 60.0° |
| C23 | C20 | C22 | H34 | 60.0° | 180.0° |
| C20 | C23 | H35 | H36 | 120.0° | 120.0° |
| C20 | C23 | H35 | H37 | 120.0° | 120.0° |
| C20 | C23 | H36 | H37 | 120.0° | 120.0° |
| C12 | C13 | C14 | H17 | 111.7° | 118.4° |
| C12 | C13 | C14 | C15 | 31.8° | 42.4° |
| C13 | C12 | C16 | C19 | 167.7° | 148.5° |
| C13 | C12 | C16 | C15 | 41.7° | 28.3° |
| C12 | C13 | C7 | H11 | 59.7° | 54.4° |
| C13 | C12 | C11 | H15 | 62.9° | 54.9° |
| C13 | C12 | C11 | H16 | 177.7° | 176.0° |
| C12 | C13 | C14 | H18 | 87.4° | 75.9° |
| C12 | C13 | C14 | H19 | 151.0° | 160.8° |
| C13 | C12 | C16 | H22 | 72.0° | 89.5° |
| C13 | C12 | C17 | H23 | 60.9° | 60.2° |
| C13 | C12 | C17 | H24 | 179.1° | 59.7° |
| C13 | C12 | C17 | H25 | 59.1° | 179.8° |
| C16 | C12 | C13 | C14 | 45.6° | 44.4° |
| C12 | C16 | C15 | C14 | 23.2° | 2.2° |
| C12 | C16 | C19 | O2 | 96.6° | 94.5° |
| C12 | C16 | C19 | C15 | 120.2° | 116.5° |
| C12 | C16 | C19 | H22 | 120.0° | 122.0° |
| C12 | C16 | C15 | H22 | 113.7° | 118.5° |
| C12 | C16 | C19 | N2 | 81.7° | 85.5° |
| C16 | C12 | C11 | H15 | 47.1° | 60.1° |
| C16 | C12 | C11 | H16 | 72.2° | 61.0° |
| C16 | C12 | C13 | H17 | 66.1° | 73.8° |
| C12 | C16 | C15 | H20 | 96.3° | 116.3° |
| C12 | C16 | C15 | H21 | 142.7° | 122.0° |
| C16 | C12 | C17 | H23 | 49.3° | 173.1° |
| C16 | C12 | C17 | H24 | 70.7° | 53.2° |
| C16 | C12 | C17 | H25 | 169.3° | 66.9° |
| C5D | O5D | PN | O1N | 176.5° | 55.0° |
| C5D | O5D | PN | O2N | 45.5° | 65.0° |
| C5D | O5D | PN | O3 | 68.6° | 175.0° |
| O5D | C5D | H53 | H54 | 119.9° | 120.0° |
| O5D | C5D | C4D | H55 | 166.2° | 54.3° |
| C13 | C14 | C15 | H18 | 119.2° | 118.4° |
| C13 | C14 | C15 | H19 | 119.2° | 118.4° |
| C13 | C14 | C15 | C16 | 4.9° | 25.3° |
| C14 | C13 | C7 | H11 | 64.7° | 57.6° |
| C13 | C14 | H18 | H19 | 122.3° | 123.3° |
| C13 | C14 | C15 | H20 | 124.4° | 143.2° |
| C13 | C14 | C15 | H21 | 114.6° | 95.3° |
| O5D | PN | O1N | O2N | 126.3° | 120.0° |
| O5D | PN | O1N | O3 | 108.9° | 120.0° |
| O5D | PN | O2N | O3 | 108.4° | 120.0° |
| O5D | PN | O3 | PA | 173.5° | 165.0° |
| O5D | PN | O2N | H52 | 126.5° | 60.0° |
| PN | O5D | C5D | H53 | 76.2° | 60.0° |
| PN | O5D | C5D | H54 | 43.8° | 60.0° |
| C14 | C15 | C16 | C19 | 149.5° | 121.7° |
| C14 | C15 | C16 | H20 | 119.5° | 118.5° |
| C14 | C15 | C16 | H21 | 119.5° | 119.8° |
| C15 | C14 | C13 | H17 | 79.9° | 75.9° |
| C15 | C14 | H18 | H19 | 122.3° | 123.2° |
| C14 | C15 | H20 | H21 | 121.5° | 121.5° |
| C14 | C15 | C16 | H22 | 90.5° | 116.2° |
| O2 | C19 | C16 | N2 | 178.3° | 180.0° |
| O2 | C19 | C16 | C15 | 23.6° | 21.9° |
| O2 | C19 | N2 | C20 | 8.1° | 0.0° |
| O2 | C19 | N2 | H3 | 171.9° | 180.0° |
| O2 | C19 | C16 | H22 | 143.4° | 143.5° |
| C19 | C16 | C15 | H22 | 120.0° | 122.1° |
| C16 | C19 | N2 | C20 | 170.2° | 180.0° |
| C16 | C19 | N2 | H3 | 9.8° | 0.0° |
| C19 | C16 | C15 | H20 | 30.1° | 3.2° |
| C19 | C16 | C15 | H21 | 91.0° | 118.5° |
| C15 | C16 | C19 | N2 | 158.1° | 158.1° |
| C16 | C15 | C14 | H18 | 114.3° | 93.1° |
| C16 | C15 | C14 | H19 | 124.1° | 143.7° |
| C16 | C15 | H20 | H21 | 121.5° | 122.4° |
| C19 | N2 | C20 | H3 | 180.0° | 180.0° |
| C19 | N2 | C20 | C21 | 179.8° | 60.0° |
| C19 | N2 | C20 | C22 | 60.0° | 180.0° |
| N2 | C19 | C16 | H22 | 38.3° | 36.5° |
| N2 | C20 | C21 | C22 | 119.9° | 120.0° |
| N2 | C20 | C21 | H29 | 61.3° | 60.1° |
| N2 | C20 | C21 | H30 | 58.7° | 180.0° |
| N2 | C20 | C21 | H31 | 178.7° | 60.0° |
| N2 | C20 | C22 | H32 | 60.1° | 60.0° |
| N2 | C20 | C22 | H33 | 179.8° | 180.0° |
| N2 | C20 | C22 | H34 | 59.9° | 60.0° |
| N2 | C20 | C23 | H35 | 180.0° | 60.0° |
| N2 | C20 | C23 | H36 | 60.0° | 180.0° |
| N2 | C20 | C23 | H37 | 60.0° | 60.0° |
| C21 | C20 | N2 | H3 | 0.3° | 120.0° |
| C20 | C21 | H29 | H30 | 120.0° | 119.9° |
| C20 | C21 | H29 | H31 | 120.0° | 120.1° |
| C20 | C21 | H30 | H31 | 120.0° | 120.1° |
| C21 | C20 | C22 | H32 | 58.8° | 180.0° |
| C21 | C20 | C22 | H33 | 61.2° | 60.0° |
| C21 | C20 | C22 | H34 | 178.8° | 60.0° |
| C21 | C20 | C23 | H35 | 61.6° | 60.0° |
| C21 | C20 | C23 | H36 | 58.4° | 60.0° |
| C21 | C20 | C23 | H37 | 178.4° | 180.0° |
| C22 | C20 | N2 | H3 | 120.0° | 0.0° |
| C22 | C20 | C21 | H29 | 58.6° | 59.9° |
| C22 | C20 | C21 | H30 | 178.6° | 60.0° |
| C22 | C20 | C21 | H31 | 61.4° | 180.0° |
| C20 | C22 | H32 | H33 | 120.0° | 120.0° |
| C20 | C22 | H32 | H34 | 120.0° | 120.0° |
| C20 | C22 | H33 | H34 | 120.0° | 120.0° |
| C22 | C20 | C23 | H35 | 59.4° | 180.0° |
| C22 | C20 | C23 | H36 | 179.5° | 60.0° |
| C22 | C20 | C23 | H37 | 60.5° | 60.0° |
| O1N | PN | O2N | O3 | 125.1° | 120.0° |
| O1N | PN | O3 | PA | 71.1° | 45.0° |
| O1N | PN | O2N | H52 | 0.0° | 180.0° |
| O2N | PN | O3 | PA | 59.0° | 75.0° |
| PN | O3 | PA | O2A | 174.3° | 39.9° |
| PN | O3 | PA | O5B | 71.1° | 160.0° |
| PN | O3 | PA | O1A | 44.6° | 80.0° |
| O3 | PN | O2N | H52 | 125.1° | 60.0° |
| O3 | PA | O5B | C5B | 51.7° | 175.1° |
| O3 | PA | O2A | O5B | 109.5° | 120.0° |
| O3 | PA | O2A | O1A | 124.9° | 120.0° |
| O3 | PA | O5B | O1A | 115.2° | 120.0° |
| O3 | PA | O1A | H51 | 124.8° | 60.0° |
| C4B | C5B | O5B | H49 | 120.0° | 120.0° |
| C4B | C5B | O5B | H50 | 120.0° | 120.0° |
| C4B | C5B | O5B | PA | 169.4° | 180.0° |
| C5B | C4B | C3B | O4B | 120.3° | 118.7° |
| C5B | C4B | C3B | H48 | 122.5° | 122.3° |
| C5B | C4B | O4B | H48 | 118.5° | 122.4° |
| C5B | C4B | C3B | O3B | 145.5° | 98.6° |
| C5B | C4B | C3B | C2B | 95.7° | 142.8° |
| C5B | C4B | O4B | C1B | 121.3° | 159.4° |
| C5B | C4B | C3B | H46 | 21.7° | 24.2° |
| C4B | C5B | H49 | H50 | 120.1° | 120.1° |
| C5B | O5B | PA | O2A | 63.0° | 55.0° |
| C5B | O5B | PA | O1A | 166.9° | 65.0° |
| O5B | C5B | C4B | C3B | 45.8° | 175.0° |
| O5B | C5B | C4B | O4B | 73.0° | 69.7° |
| O5B | C5B | C4B | H48 | 168.1° | 52.8° |
| O5B | C5B | H49 | H50 | 120.0° | 119.9° |
| O2A | PA | O5B | O1A | 130.1° | 120.0° |
| O2A | PA | O1A | H51 | 0.0° | 180.0° |
| PA | O5B | C5B | H49 | 49.4° | 59.9° |
| PA | O5B | C5B | H50 | 70.6° | 60.0° |
| O5B | PA | O1A | H51 | 125.2° | 60.0° |
| C3B | C4B | O4B | H48 | 116.5° | 118.9° |
| C4B | C3B | O3B | C2B | 112.8° | 114.6° |
| C4B | C3B | O3B | H46 | 122.8° | 122.8° |
| C4B | C3B | C2B | H46 | 117.4° | 118.6° |
| C3B | C4B | O4B | C1B | 3.7° | 40.6° |
| C4B | C3B | C2B | C1B | 34.9° | 0.1° |
| C4B | C3B | C2B | O2B | 155.1° | 118.6° |
| C4B | C3B | C2B | H40 | 80.5° | 118.8° |
| C4B | C3B | O3B | H47 | 180.0° | 65.5° |
| C3B | C4B | C5B | H49 | 165.8° | 55.0° |
| C3B | C4B | C5B | H50 | 74.2° | 65.1° |
| O4B | C4B | C3B | O3B | 94.1° | 142.7° |
| O4B | C4B | C3B | C2B | 24.6° | 24.1° |
| C4B | O4B | C1B | C2B | 19.1° | 40.6° |
| C4B | O4B | C1B | N9A | 139.9° | 159.3° |
| C4B | O4B | C1B | H41 | 99.6° | 78.3° |
| O4B | C4B | C3B | H46 | 142.1° | 94.5° |
| O4B | C4B | C5B | H49 | 47.0° | 170.3° |
| O4B | C4B | C5B | H50 | 167.0° | 50.3° |
| O3B | C3B | C2B | H46 | 125.2° | 122.6° |
| O3B | C3B | C2B | C1B | 82.5° | 118.8° |
| O3B | C3B | C2B | O2B | 37.7° | 0.2° |
| O3B | C3B | C2B | H40 | 162.1° | 122.4° |
| O3B | C3B | C4B | H48 | 23.1° | 23.8° |
| C3B | C2B | C1B | O4B | 33.9° | 24.0° |
| C3B | C2B | C1B | O2B | 122.6° | 118.7° |
| C3B | C2B | C1B | H40 | 115.3° | 118.7° |
| C3B | C2B | C1B | N9A | 150.6° | 142.8° |
| C3B | C2B | O2B | H40 | 123.7° | 122.6° |
| C3B | C2B | O2B | P2B | 85.7° | 123.3° |
| C3B | C2B | C1B | H41 | 85.9° | 95.0° |
| C2B | C3B | O3B | H47 | 67.1° | 180.0° |
| C2B | C3B | C4B | H48 | 141.8° | 94.9° |
| O4B | C1B | C2B | N9A | 116.7° | 118.8° |
| O4B | C1B | C2B | H41 | 119.8° | 119.0° |
| O4B | C1B | N9A | H41 | 120.9° | 122.4° |
| O4B | C1B | C2B | O2B | 156.5° | 142.6° |
| O4B | C1B | N9A | C8A | 55.2° | 20.0° |
| O4B | C1B | N9A | C4A | 122.2° | 159.6° |
| O4B | C1B | C2B | H40 | 81.4° | 94.8° |
| C1B | O4B | C4B | H48 | 120.2° | 78.3° |
| C2B | C1B | N9A | H41 | 123.0° | 122.2° |
| C1B | C2B | O2B | H40 | 121.2° | 122.7° |
| C2B | C1B | N9A | C8A | 60.8° | 95.4° |
| C2B | C1B | N9A | C4A | 121.7° | 85.0° |
| C1B | C2B | O2B | P2B | 159.1° | 121.9° |
| C1B | C2B | C3B | H46 | 152.3° | 118.6° |
| N9A | C1B | C2B | O2B | 86.8° | 98.6° |
| C1B | N9A | C8A | C4A | 177.9° | 179.7° |
| C1B | N9A | C8A | N7A | 178.7° | 179.9° |
| C1B | N9A | C4A | N3A | 1.9° | 0.1° |
| C1B | N9A | C4A | C5A | 178.6° | 180.0° |
| N9A | C1B | C2B | H40 | 35.3° | 24.0° |
| C1B | N9A | C8A | H45 | 1.3° | 0.1° |
| C2B | O2B | P2B | O2X | 61.2° | 55.0° |
| C2B | O2B | P2B | O1X | 60.4° | 65.0° |
| C2B | O2B | P2B | O3X | 179.0° | 175.0° |
| O2B | C2B | C1B | H41 | 36.8° | 23.6° |
| O2B | C2B | C3B | H46 | 87.5° | 122.8° |
| O2X | P2B | O2B | O1X | 121.6° | 120.0° |
| O2X | P2B | O2B | O3X | 119.9° | 120.0° |
| O2X | P2B | O1X | O3X | 127.6° | 120.0° |
| O2X | P2B | O3X | H38 | 0.0° | 60.0° |
| O2X | P2B | O1X | H39 | 0.0° | 180.0° |
| N9A | C8A | N7A | H45 | 180.0° | 179.7° |
| N9A | C8A | N7A | C5A | 0.5° | 0.4° |
| C8A | N9A | C4A | N3A | 179.7° | 179.7° |
| C8A | N9A | C4A | C5A | 0.8° | 0.3° |
| C8A | N9A | C1B | H41 | 176.2° | 142.4° |
| N7A | C8A | N9A | C4A | 0.8° | 0.5° |
| C8A | N7A | C5A | C4A | 0.1° | 0.2° |
| C8A | N7A | C5A | C6A | 179.9° | 179.7° |
| N9A | C4A | C5A | N7A | 0.6° | 0.1° |
| N9A | C4A | N3A | C5A | 179.4° | 180.0° |
| N9A | C4A | N3A | C2A | 179.5° | 180.0° |
| N9A | C4A | C5A | C6A | 179.6° | 180.0° |
| C4A | N9A | C1B | H41 | 1.3° | 37.2° |
| C4A | N9A | C8A | H45 | 179.2° | 179.8° |
| O2B | P2B | O1X | O3X | 112.3° | 119.9° |
| O2B | P2B | O3X | H38 | 118.1° | 180.0° |
| O2B | P2B | O1X | H39 | 120.1° | 60.0° |
| P2B | O2B | C2B | H40 | 37.9° | 0.7° |
| O1X | P2B | O3X | H38 | 127.6° | 60.0° |
| O3X | P2B | O1X | H39 | 127.6° | 60.0° |
| N7A | C5A | C4A | N3A | 180.0° | 180.0° |
| N7A | C5A | C4A | C6A | 179.8° | 180.0° |
| N7A | C5A | C6A | N1A | 179.8° | 179.9° |
| N7A | C5A | C6A | N6A | 0.1° | 0.0° |
| C5A | N7A | C8A | H45 | 179.5° | 179.8° |
| N3A | C4A | C5A | C6A | 0.1° | 0.0° |
| C4A | N3A | C2A | N1A | 0.0° | 0.0° |
| C4A | N3A | C2A | H42 | 180.0° | 180.0° |
| C5A | C4A | N3A | C2A | 0.1° | 0.0° |
| C4A | C5A | C6A | N1A | 0.0° | 0.0° |
| C4A | C5A | C6A | N6A | 179.9° | 180.0° |
| N3A | C2A | N1A | H42 | 180.0° | 180.0° |
| N3A | C2A | N1A | C6A | 0.1° | 0.0° |
| C5A | C6A | N1A | C2A | 0.0° | 0.0° |
| C5A | C6A | N1A | N6A | 180.0° | 179.9° |
| C5A | C6A | N6A | H43 | 180.0° | 180.0° |
| C5A | C6A | N6A | H44 | 60.0° | 0.1° |
| C2A | N1A | C6A | N6A | 180.0° | 180.0° |
| C6A | N1A | C2A | H42 | 179.9° | 180.0° |
| N1A | C6A | N6A | H43 | 0.0° | 0.1° |
| N1A | C6A | N6A | H44 | 120.0° | 180.0° |
| C6A | N6A | H43 | H44 | 120.0° | 179.9° |
| H1 | N1 | C4 | H4 | 107.9° | 84.2° |
| H2 | C2 | C1 | H9 | 126.4° | 167.1° |
| H2 | C2 | C1 | H10 | 8.6° | 46.5° |
| H2 | C2 | C4N | H66 | 84.7° | 178.3° |
| H4 | C4 | C5 | H5 | 178.5° | 176.7° |
| H4 | C4 | C5 | H6 | 59.1° | 63.0° |
| H5 | C5 | C6 | H7 | 56.0° | 59.7° |
| H5 | C5 | C6 | H8 | 175.2° | 179.5° |
| H6 | C5 | C6 | H7 | 63.5° | 60.6° |
| H6 | C5 | C6 | H8 | 55.8° | 59.2° |
| H7 | C6 | C7 | H11 | 57.6° | 58.4° |
| H8 | C6 | C7 | H11 | 176.9° | 178.3° |
| H11 | C7 | C8 | H12 | 176.9° | 179.3° |
| H11 | C7 | C13 | H17 | 176.1° | 175.2° |
| H12 | C8 | C10 | H13 | 55.8° | 55.2° |
| H12 | C8 | C10 | H14 | 174.6° | 174.2° |
| H13 | C10 | C11 | H15 | 55.8° | 58.4° |
| H13 | C10 | C11 | H16 | 63.6° | 62.6° |
| H14 | C10 | C11 | H15 | 174.6° | 177.5° |
| H14 | C10 | C11 | H16 | 55.2° | 56.4° |
| H17 | C13 | C14 | H18 | 160.9° | 165.7° |
| H17 | C13 | C14 | H19 | 39.3° | 42.4° |
| H18 | C14 | C15 | H20 | 5.2° | 24.8° |
| H18 | C14 | C15 | H21 | 126.2° | 146.3° |
| H19 | C14 | C15 | H20 | 116.4° | 98.4° |
| H19 | C14 | C15 | H21 | 4.6° | 23.1° |
| H20 | C15 | C16 | H22 | 150.0° | 125.3° |
| H21 | C15 | C16 | H22 | 29.0° | 3.6° |
| H23 | C17 | H24 | H25 | 120.0° | 120.0° |
| H26 | C18 | H27 | H28 | 120.0° | 120.1° |
| H29 | C21 | H30 | H31 | 120.0° | 120.0° |
| H32 | C22 | H33 | H34 | 120.0° | 120.0° |
| H35 | C23 | H36 | H37 | 120.0° | 120.0° |
| H40 | C2B | C1B | H41 | 158.8° | 146.3° |
| H40 | C2B | C3B | H46 | 36.9° | 0.2° |
| H46 | C3B | O3B | H47 | 57.2° | 57.4° |
| H46 | C3B | C4B | H48 | 100.7° | 146.5° |
| H48 | C4B | C5B | H49 | 71.9° | 67.3° |
| H48 | C4B | C5B | H50 | 48.1° | 172.7° |
| H53 | C5D | C4D | H55 | 46.1° | 174.3° |
| H54 | C5D | C4D | H55 | 73.8° | 65.7° |
| H55 | C4D | C3D | H56 | 101.0° | 146.4° |
| H56 | C3D | O3D | H57 | 55.1° | 57.4° |
| H56 | C3D | C2D | H58 | 43.9° | 0.0° |
| H58 | C2D | O2D | H59 | 57.5° | 61.1° |
| H58 | C2D | C1D | H60 | 169.7° | 146.4° |
| H61 | C6N | C5N | H62 | 0.0° | 0.2° |
| H62 | C5N | C4N | H66 | 61.5° | 43.7° |
