A1IHQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C2 | C15 | sing | 1.50Å | 1.50Å | |
| C5 | C1 | sing | 1.53Å | 1.53Å | |
| C5 | C3 | sing | 1.51Å | 1.51Å | |
| C4 | C15 | sing | 1.55Å | 1.55Å | |
| C4 | C11 | sing | 1.52Å | 1.52Å | |
| C4 | N1 | sing | 1.45Å | 1.45Å | |
| CL1 | C12 | sing | 1.84Å | 1.84Å | |
| C12 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | O1 | doub | 1.26Å | 1.26Å | |
| C11 | N3 | sing | 1.37Å | 1.37Å | |
| N3 | C1 | sing | 1.44Å | 1.44Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | N2 | doub | 1.30Å | 1.30Å | |
| N1 | C13 | sing | 1.38Å | 1.38Å | |
| C13 | O2 | doub | 1.25Å | 1.25Å | |
| C13 | C7 | sing | 1.54Å | 1.54Å | |
| C7 | S1 | sing | 1.79Å | 1.79Å | |
| S1 | B7 | sing | 1.90Å | 1.90Å | |
| B7 | B3 | sing | 1.76Å | 1.76Å | |
| B7 | B8 | sing | 1.79Å | 1.79Å | |
| B10 | B1 | sing | 1.76Å | 1.76Å | |
| B10 | B3 | sing | 1.78Å | 1.78Å | |
| B10 | B5 | sing | 1.73Å | 1.73Å | |
| B1 | B3 | sing | 1.74Å | 1.74Å | |
| B1 | B5 | sing | 1.74Å | 1.74Å | |
| B1 | C17 | sing | 1.74Å | 1.74Å | |
| B3 | C16 | sing | 1.73Å | 1.73Å | |
| B5 | C17 | sing | 1.74Å | 1.74Å | |
| B5 | B2 | sing | 1.77Å | 1.77Å | |
| C17 | B2 | sing | 1.71Å | 1.71Å | |
| C17 | C16 | sing | 1.63Å | 1.63Å | |
| B8 | B2 | sing | 1.79Å | 1.79Å | |
| B9 | B2 | sing | 1.77Å | 1.77Å | |
| B9 | B4 | sing | 1.79Å | 1.79Å | |
| B4 | B6 | sing | 1.78Å | 1.78Å | |
| B4 | C16 | sing | 1.72Å | 1.72Å | |
| B6 | C16 | sing | 1.72Å | 1.72Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.10Å | 1.10Å | |
| C5 | H3 | sing | 1.10Å | 1.10Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.10Å | 1.10Å | |
| C15 | H9 | sing | 1.10Å | 1.10Å | |
| N3 | H10 | sing | 1.00Å | 1.00Å | |
| C3 | H11 | sing | 1.10Å | 1.10Å | |
| C3 | H12 | sing | 1.10Å | 1.10Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| N2 | H14 | sing | 1.00Å | 1.00Å | |
| N1 | H15 | sing | 1.00Å | 1.00Å | |
| C7 | H16 | sing | 1.10Å | 1.10Å | |
| C7 | H17 | sing | 1.10Å | 1.10Å | |
| B1 | C16 | sing | 1.75Å | 1.75Å | |
| B2 | B4 | sing | 1.84Å | 1.84Å | |
| B3 | B6 | sing | 1.82Å | 1.82Å | |
| B4 | C17 | sing | 1.76Å | 1.76Å | |
| B5 | B8 | sing | 1.81Å | 1.81Å | |
| B6 | B7 | sing | 1.81Å | 1.81Å | |
| B6 | B9 | sing | 1.81Å | 1.81Å | |
| B7 | B9 | sing | 1.81Å | 1.81Å | |
| B7 | B10 | sing | 1.82Å | 1.82Å | |
| B8 | B9 | sing | 1.85Å | 1.85Å | |
| B8 | B10 | sing | 1.80Å | 1.80Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C6 | C9 | 120.7° | 120.7° |
| C6 | C2 | C14 | 121.6° | 121.6° |
| C6 | C2 | C15 | 119.0° | 119.0° |
| C2 | C6 | H1 | 119.6° | 119.6° |
| C6 | C9 | C10 | 119.0° | 119.0° |
| C9 | C6 | H1 | 119.7° | 119.7° |
| C6 | C9 | H6 | 120.5° | 120.5° |
| C14 | C2 | C15 | 119.4° | 119.4° |
| C2 | C14 | C12 | 116.1° | 116.1° |
| C2 | C14 | H7 | 122.0° | 122.0° |
| C2 | C15 | C4 | 104.0° | 104.0° |
| C2 | C15 | H8 | 110.8° | 110.8° |
| C2 | C15 | H9 | 110.8° | 110.8° |
| C1 | C5 | C3 | 60.2° | 60.2° |
| C5 | C1 | N3 | 112.9° | 112.9° |
| C5 | C1 | C3 | 59.2° | 59.2° |
| C5 | C1 | C8 | 116.8° | 116.8° |
| C1 | C5 | H2 | 120.0° | 120.0° |
| C1 | C5 | H3 | 120.0° | 120.0° |
| C5 | C3 | C1 | 60.6° | 60.6° |
| C3 | C5 | H2 | 120.0° | 120.0° |
| C3 | C5 | H3 | 120.0° | 120.0° |
| C5 | C3 | H11 | 119.9° | 119.9° |
| C5 | C3 | H12 | 119.9° | 119.9° |
| C15 | C4 | C11 | 110.9° | 110.9° |
| C15 | C4 | N1 | 112.0° | 112.0° |
| C15 | C4 | H4 | 109.5° | 109.5° |
| C4 | C15 | H8 | 110.9° | 110.9° |
| C4 | C15 | H9 | 110.8° | 110.8° |
| C11 | C4 | N1 | 103.6° | 103.6° |
| C4 | C11 | O1 | 120.9° | 120.9° |
| C4 | C11 | N3 | 115.5° | 115.5° |
| C11 | C4 | H4 | 109.8° | 109.8° |
| C4 | N1 | C13 | 123.5° | 123.5° |
| N1 | C4 | H4 | 110.9° | 110.9° |
| C4 | N1 | H15 | 118.2° | 118.2° |
| CL1 | C12 | C10 | 118.3° | 118.3° |
| CL1 | C12 | C14 | 118.1° | 118.1° |
| C10 | C12 | C14 | 123.6° | 123.6° |
| C12 | C10 | C9 | 119.0° | 119.0° |
| C12 | C10 | H5 | 120.5° | 120.5° |
| C12 | C14 | H7 | 121.9° | 121.9° |
| C9 | C10 | H5 | 120.5° | 120.5° |
| C10 | C9 | H6 | 120.5° | 120.5° |
| O1 | C11 | N3 | 123.5° | 123.5° |
| C11 | N3 | C1 | 121.8° | 121.8° |
| C11 | N3 | H10 | 119.1° | 119.1° |
| N3 | C1 | C3 | 112.8° | 112.8° |
| N3 | C1 | C8 | 120.3° | 120.3° |
| C1 | N3 | H10 | 119.1° | 119.1° |
| C3 | C1 | C8 | 119.8° | 119.8° |
| C1 | C3 | H11 | 119.9° | 119.9° |
| C1 | C3 | H12 | 119.9° | 119.9° |
| C1 | C8 | N2 | 129.9° | 129.9° |
| C1 | C8 | H13 | 115.1° | 115.1° |
| N2 | C8 | H13 | 115.1° | 115.1° |
| C8 | N2 | H14 | 112.0° | 112.0° |
| N1 | C13 | O2 | 122.8° | 122.8° |
| N1 | C13 | C7 | 111.8° | 111.8° |
| C13 | N1 | H15 | 118.3° | 118.3° |
| O2 | C13 | C7 | 125.3° | 125.3° |
| C13 | C7 | S1 | 113.1° | 113.1° |
| C13 | C7 | H16 | 108.5° | 108.5° |
| C13 | C7 | H17 | 108.5° | 108.5° |
| C7 | S1 | B7 | 102.0° | 102.0° |
| S1 | C7 | H16 | 108.6° | 108.6° |
| S1 | C7 | H17 | 108.6° | 108.6° |
| S1 | B7 | B3 | 125.1° | 125.1° |
| S1 | B7 | B8 | 120.0° | 120.0° |
| S1 | B7 | B6 | 117.1° | 117.1° |
| S1 | B7 | B9 | 116.1° | 116.1° |
| S1 | B7 | B10 | 126.7° | 126.7° |
| B3 | B7 | B8 | 108.5° | 108.5° |
| B7 | B3 | B10 | 61.8° | 61.8° |
| B7 | B3 | B1 | 109.4° | 109.4° |
| B7 | B3 | C16 | 105.1° | 105.1° |
| B7 | B3 | B6 | 60.8° | 60.8° |
| B3 | B7 | B6 | 61.2° | 61.2° |
| B3 | B7 | B9 | 108.2° | 108.2° |
| B3 | B7 | B10 | 59.6° | 59.6° |
| B7 | B8 | B2 | 104.5° | 104.5° |
| B7 | B8 | B5 | 104.7° | 104.7° |
| B8 | B7 | B6 | 110.7° | 110.7° |
| B8 | B7 | B9 | 61.9° | 61.9° |
| B8 | B7 | B10 | 59.8° | 59.8° |
| B7 | B8 | B9 | 59.5° | 59.5° |
| B7 | B8 | B10 | 60.7° | 60.7° |
| B1 | B10 | B3 | 59.0° | 59.0° |
| B1 | B10 | B5 | 59.9° | 59.9° |
| B10 | B1 | B3 | 61.1° | 61.1° |
| B10 | B1 | B5 | 59.3° | 59.3° |
| B10 | B1 | C17 | 106.0° | 106.0° |
| B10 | B1 | C16 | 106.8° | 106.8° |
| B1 | B10 | B7 | 106.2° | 106.2° |
| B1 | B10 | B8 | 109.7° | 109.7° |
| B3 | B10 | B5 | 106.6° | 106.6° |
| B10 | B3 | B1 | 59.9° | 59.9° |
| B10 | B3 | C16 | 106.7° | 106.7° |
| B10 | B3 | B6 | 110.9° | 110.9° |
| B3 | B10 | B7 | 58.7° | 58.7° |
| B3 | B10 | B8 | 107.5° | 107.5° |
| B10 | B5 | B1 | 60.8° | 60.8° |
| B10 | B5 | C17 | 107.0° | 107.0° |
| B10 | B5 | B2 | 108.6° | 108.6° |
| B10 | B5 | B8 | 60.9° | 60.9° |
| B5 | B10 | B7 | 107.2° | 107.2° |
| B5 | B10 | B8 | 61.8° | 61.8° |
| B3 | B1 | B5 | 107.7° | 107.7° |
| B3 | B1 | C17 | 104.3° | 104.3° |
| B1 | B3 | C16 | 60.5° | 60.5° |
| B3 | B1 | C16 | 59.5° | 59.5° |
| B1 | B3 | B6 | 109.6° | 109.6° |
| B5 | B1 | C17 | 60.1° | 60.1° |
| B1 | B5 | C17 | 59.9° | 59.9° |
| B1 | B5 | B2 | 108.3° | 108.3° |
| B5 | B1 | C16 | 105.0° | 105.0° |
| B1 | B5 | B8 | 109.7° | 109.7° |
| B1 | C17 | B5 | 60.0° | 60.0° |
| B1 | C17 | B2 | 111.2° | 111.2° |
| B1 | C17 | C16 | 62.5° | 62.5° |
| C17 | B1 | C16 | 55.8° | 55.8° |
| B1 | C17 | B4 | 114.5° | 114.5° |
| B3 | C16 | C17 | 109.4° | 109.4° |
| B3 | C16 | B4 | 114.3° | 114.3° |
| B3 | C16 | B6 | 63.5° | 63.5° |
| B3 | C16 | B1 | 60.0° | 60.0° |
| C16 | B3 | B6 | 57.9° | 57.9° |
| C17 | B5 | B2 | 58.3° | 58.3° |
| B5 | C17 | B2 | 61.7° | 61.7° |
| B5 | C17 | C16 | 110.3° | 110.3° |
| B5 | C17 | B4 | 115.1° | 115.1° |
| C17 | B5 | B8 | 106.0° | 106.0° |
| B5 | B2 | C17 | 60.0° | 60.0° |
| B5 | B2 | B8 | 61.2° | 61.2° |
| B5 | B2 | B9 | 110.6° | 110.6° |
| B5 | B2 | B4 | 109.8° | 109.8° |
| B2 | B5 | B8 | 60.0° | 60.0° |
| B2 | C17 | C16 | 110.6° | 110.6° |
| C17 | B2 | B8 | 108.3° | 108.3° |
| C17 | B2 | B9 | 105.9° | 105.9° |
| C17 | B2 | B4 | 59.2° | 59.2° |
| B2 | C17 | B4 | 64.0° | 64.0° |
| C17 | C16 | B4 | 63.2° | 63.2° |
| C17 | C16 | B6 | 112.1° | 112.1° |
| C17 | C16 | B1 | 61.8° | 61.8° |
| C16 | C17 | B4 | 60.9° | 60.9° |
| B8 | B2 | B9 | 62.7° | 62.7° |
| B8 | B2 | B4 | 111.0° | 111.0° |
| B2 | B8 | B5 | 58.8° | 58.8° |
| B2 | B8 | B9 | 57.9° | 57.9° |
| B2 | B8 | B10 | 104.8° | 104.8° |
| B2 | B9 | B4 | 62.4° | 62.4° |
| B9 | B2 | B4 | 59.3° | 59.3° |
| B2 | B9 | B6 | 107.5° | 107.5° |
| B2 | B9 | B7 | 104.9° | 104.9° |
| B2 | B9 | B8 | 59.3° | 59.3° |
| B9 | B4 | B6 | 61.0° | 61.0° |
| B9 | B4 | C16 | 104.6° | 104.6° |
| B9 | B4 | B2 | 58.3° | 58.3° |
| B9 | B4 | C17 | 103.1° | 103.1° |
| B4 | B9 | B6 | 59.2° | 59.2° |
| B4 | B9 | B7 | 107.6° | 107.6° |
| B4 | B9 | B8 | 110.8° | 110.8° |
| B6 | B4 | C16 | 58.9° | 58.9° |
| B4 | B6 | C16 | 59.0° | 59.0° |
| B6 | B4 | B2 | 105.7° | 105.7° |
| B4 | B6 | B3 | 107.7° | 107.7° |
| B6 | B4 | C17 | 103.7° | 103.7° |
| B4 | B6 | B7 | 108.0° | 108.0° |
| B4 | B6 | B9 | 59.8° | 59.8° |
| B4 | C16 | B6 | 62.1° | 62.1° |
| B4 | C16 | B1 | 115.9° | 115.9° |
| C16 | B4 | B2 | 101.0° | 101.0° |
| C16 | B4 | C17 | 55.9° | 55.9° |
| B6 | C16 | B1 | 113.9° | 113.9° |
| C16 | B6 | B3 | 58.6° | 58.6° |
| C16 | B6 | B7 | 103.5° | 103.5° |
| C16 | B6 | B9 | 103.8° | 103.8° |
| H2 | C5 | H3 | 109.4° | 109.4° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.5° |
| H16 | C7 | H17 | 109.5° | 109.5° |
| B2 | B4 | C17 | 56.7° | 56.7° |
| B3 | B6 | B7 | 58.0° | 58.0° |
| B3 | B6 | B9 | 105.8° | 105.8° |
| B5 | B8 | B9 | 105.0° | 105.0° |
| B5 | B8 | B10 | 57.3° | 57.3° |
| B7 | B6 | B9 | 60.0° | 60.0° |
| B6 | B7 | B9 | 59.9° | 59.9° |
| B6 | B7 | B10 | 109.4° | 109.4° |
| B6 | B9 | B7 | 60.1° | 60.1° |
| B6 | B9 | B8 | 108.2° | 108.2° |
| B9 | B7 | B10 | 108.7° | 108.7° |
| B7 | B9 | B8 | 58.6° | 58.6° |
| B7 | B10 | B8 | 59.5° | 59.5° |
| B9 | B8 | B10 | 107.5° | 107.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C6 | C9 | H1 | 180.0° | 180.0° |
| C6 | C2 | C14 | C15 | 178.2° | 178.2° |
| C6 | C2 | C15 | C4 | 92.6° | 92.6° |
| C6 | C2 | C14 | C12 | 2.0° | 2.0° |
| C2 | C6 | C9 | C10 | 0.6° | 0.6° |
| C2 | C6 | C9 | H6 | 179.4° | 179.4° |
| C6 | C2 | C14 | H7 | 178.0° | 178.0° |
| C6 | C2 | C15 | H8 | 148.2° | 148.2° |
| C6 | C2 | C15 | H9 | 26.5° | 26.5° |
| C9 | C6 | C2 | C14 | 1.0° | 1.0° |
| C9 | C6 | C2 | C15 | 179.2° | 179.2° |
| C6 | C9 | C10 | C12 | 1.3° | 1.3° |
| C6 | C9 | C10 | H6 | 180.0° | 180.0° |
| C6 | C9 | C10 | H5 | 178.7° | 178.7° |
| C14 | C2 | C15 | C4 | 85.6° | 85.6° |
| C2 | C14 | C12 | CL1 | 179.1° | 179.1° |
| C2 | C14 | C12 | C10 | 2.7° | 2.7° |
| C2 | C14 | C12 | H7 | 180.0° | 180.0° |
| C14 | C2 | C6 | H1 | 179.0° | 179.0° |
| C14 | C2 | C15 | H8 | 33.5° | 33.5° |
| C14 | C2 | C15 | H9 | 155.3° | 155.3° |
| C2 | C15 | C4 | H8 | 119.1° | 119.1° |
| C2 | C15 | C4 | H9 | 119.1° | 119.1° |
| C2 | C15 | C4 | C11 | 173.1° | 173.1° |
| C2 | C15 | C4 | N1 | 71.8° | 71.8° |
| C15 | C2 | C14 | C12 | 179.9° | 179.9° |
| C15 | C2 | C6 | H1 | 0.8° | 0.8° |
| C2 | C15 | C4 | H4 | 51.7° | 51.7° |
| C15 | C2 | C14 | H7 | 0.1° | 0.1° |
| C2 | C15 | H8 | H9 | 122.5° | 122.5° |
| C1 | C5 | C3 | H2 | 109.5° | 109.5° |
| C1 | C5 | C3 | H3 | 109.5° | 109.5° |
| C5 | C1 | N3 | C11 | 132.9° | 132.9° |
| C5 | C1 | N3 | C3 | 64.8° | 64.8° |
| C5 | C1 | N3 | C8 | 144.6° | 144.6° |
| C5 | C1 | C3 | C8 | 105.3° | 105.3° |
| C5 | C1 | C8 | N2 | 33.4° | 33.4° |
| C1 | C5 | H2 | H3 | 144.6° | 144.6° |
| C5 | C1 | N3 | H10 | 47.1° | 47.1° |
| C1 | C5 | C3 | H11 | 109.6° | 109.6° |
| C1 | C5 | C3 | H12 | 109.6° | 109.6° |
| C5 | C1 | C8 | H13 | 146.6° | 146.6° |
| C3 | C5 | H2 | H3 | 144.6° | 144.6° |
| C5 | C3 | H11 | H12 | 144.4° | 144.4° |
| C15 | C4 | C11 | N1 | 120.3° | 120.3° |
| C15 | C4 | C11 | H4 | 121.1° | 121.1° |
| C15 | C4 | N1 | H4 | 122.6° | 122.6° |
| C15 | C4 | C11 | O1 | 75.4° | 75.4° |
| C15 | C4 | C11 | N3 | 106.5° | 106.5° |
| C15 | C4 | N1 | C13 | 156.1° | 156.1° |
| C4 | C15 | H8 | H9 | 122.6° | 122.6° |
| C15 | C4 | N1 | H15 | 23.9° | 23.9° |
| C11 | C4 | N1 | H4 | 117.8° | 117.8° |
| C4 | C11 | O1 | N3 | 178.0° | 178.0° |
| C4 | C11 | N3 | C1 | 178.8° | 178.8° |
| C11 | C4 | N1 | C13 | 84.3° | 84.3° |
| C11 | C4 | C15 | H8 | 53.9° | 53.9° |
| C11 | C4 | C15 | H9 | 67.8° | 67.8° |
| C4 | C11 | N3 | H10 | 1.2° | 1.2° |
| C11 | C4 | N1 | H15 | 95.7° | 95.7° |
| N1 | C4 | C11 | O1 | 44.9° | 44.9° |
| N1 | C4 | C11 | N3 | 133.2° | 133.2° |
| C4 | N1 | C13 | H15 | 180.0° | 180.0° |
| C4 | N1 | C13 | O2 | 3.0° | 3.0° |
| C4 | N1 | C13 | C7 | 179.7° | 179.7° |
| N1 | C4 | C15 | H8 | 169.1° | 169.1° |
| N1 | C4 | C15 | H9 | 47.4° | 47.4° |
| CL1 | C12 | C10 | C14 | 178.2° | 178.2° |
| CL1 | C12 | C10 | C9 | 179.4° | 179.4° |
| CL1 | C12 | C10 | H5 | 0.6° | 0.6° |
| CL1 | C12 | C14 | H7 | 0.9° | 0.9° |
| C12 | C10 | C9 | H5 | 180.0° | 180.0° |
| C12 | C10 | C9 | H6 | 178.7° | 178.7° |
| C10 | C12 | C14 | H7 | 177.3° | 177.3° |
| C14 | C12 | C10 | C9 | 2.4° | 2.4° |
| C14 | C12 | C10 | H5 | 177.6° | 177.6° |
| C10 | C9 | C6 | H1 | 179.4° | 179.4° |
| O1 | C11 | N3 | C1 | 0.7° | 0.7° |
| O1 | C11 | C4 | H4 | 163.5° | 163.5° |
| O1 | C11 | N3 | H10 | 179.3° | 179.3° |
| C11 | N3 | C1 | H10 | 180.0° | 180.0° |
| C11 | N3 | C1 | C3 | 68.0° | 68.0° |
| C11 | N3 | C1 | C8 | 82.6° | 82.6° |
| N3 | C11 | C4 | H4 | 14.7° | 14.7° |
| N3 | C1 | C3 | C8 | 150.8° | 150.8° |
| N3 | C1 | C8 | N2 | 176.6° | 176.6° |
| N3 | C1 | C5 | H2 | 5.8° | 5.8° |
| N3 | C1 | C5 | H3 | 146.7° | 146.7° |
| N3 | C1 | C3 | H11 | 5.7° | 5.7° |
| N3 | C1 | C3 | H12 | 146.5° | 146.5° |
| N3 | C1 | C8 | H13 | 3.4° | 3.4° |
| C3 | C1 | C8 | N2 | 34.8° | 34.8° |
| C3 | C1 | N3 | H10 | 112.0° | 112.0° |
| C1 | C3 | H11 | H12 | 144.4° | 144.4° |
| C3 | C1 | C8 | H13 | 145.2° | 145.2° |
| C1 | C8 | N2 | H13 | 180.0° | 180.0° |
| C8 | C1 | C5 | H2 | 140.1° | 140.1° |
| C8 | C1 | C5 | H3 | 0.8° | 0.8° |
| C8 | C1 | N3 | H10 | 97.4° | 97.4° |
| C8 | C1 | C3 | H11 | 145.0° | 145.0° |
| C8 | C1 | C3 | H12 | 4.3° | 4.3° |
| C1 | C8 | N2 | H14 | 180.0° | 180.0° |
| N1 | C13 | O2 | C7 | 176.9° | 176.9° |
| N1 | C13 | C7 | S1 | 111.8° | 111.8° |
| C13 | N1 | C4 | H4 | 33.5° | 33.5° |
| N1 | C13 | C7 | H16 | 8.7° | 8.7° |
| N1 | C13 | C7 | H17 | 127.7° | 127.7° |
| O2 | C13 | C7 | S1 | 71.0° | 71.0° |
| O2 | C13 | N1 | H15 | 176.9° | 176.9° |
| O2 | C13 | C7 | H16 | 168.5° | 168.5° |
| O2 | C13 | C7 | H17 | 49.5° | 49.5° |
| C13 | C7 | S1 | H16 | 120.5° | 120.5° |
| C13 | C7 | S1 | H17 | 120.5° | 120.5° |
| C13 | C7 | S1 | B7 | 178.7° | 178.7° |
| C7 | C13 | N1 | H15 | 0.4° | 0.4° |
| C13 | C7 | H16 | H17 | 118.3° | 118.3° |
| C7 | S1 | B7 | B3 | 130.4° | 130.4° |
| C7 | S1 | B7 | B8 | 18.2° | 18.2° |
| S1 | C7 | H16 | H17 | 118.4° | 118.4° |
| C7 | S1 | B7 | B6 | 157.2° | 157.2° |
| C7 | S1 | B7 | B9 | 89.3° | 89.3° |
| C7 | S1 | B7 | B10 | 54.8° | 54.8° |
| S1 | B7 | B3 | B8 | 151.5° | 151.5° |
| S1 | B7 | B3 | B6 | 104.5° | 104.5° |
| S1 | B7 | B3 | B9 | 142.9° | 142.9° |
| S1 | B7 | B3 | B10 | 115.7° | 115.7° |
| S1 | B7 | B8 | B6 | 141.4° | 141.4° |
| S1 | B7 | B8 | B9 | 105.5° | 105.5° |
| S1 | B7 | B8 | B10 | 117.5° | 117.5° |
| S1 | B7 | B10 | B1 | 149.6° | 149.6° |
| S1 | B7 | B10 | B5 | 147.6° | 147.6° |
| S1 | B7 | B3 | B1 | 153.4° | 153.4° |
| S1 | B7 | B3 | C16 | 143.1° | 143.1° |
| S1 | B7 | B8 | B2 | 143.4° | 143.4° |
| S1 | B7 | B9 | B2 | 150.4° | 150.4° |
| S1 | B7 | B9 | B4 | 144.3° | 144.3° |
| S1 | B7 | B6 | B4 | 142.9° | 142.9° |
| S1 | B7 | B6 | C16 | 155.7° | 155.7° |
| B7 | S1 | C7 | H16 | 58.2° | 58.2° |
| B7 | S1 | C7 | H17 | 60.8° | 60.8° |
| S1 | B7 | B8 | B5 | 155.6° | 155.6° |
| S1 | B7 | B6 | B9 | 105.9° | 105.9° |
| S1 | B7 | B6 | B10 | 153.3° | 153.3° |
| S1 | B7 | B9 | B10 | 150.2° | 150.2° |
| B3 | B7 | B8 | B6 | 65.3° | 65.3° |
| B3 | B7 | B8 | B9 | 101.3° | 101.3° |
| B3 | B7 | B8 | B10 | 35.7° | 35.7° |
| B3 | B7 | B10 | B1 | 36.4° | 36.4° |
| B7 | B3 | B10 | C16 | 98.4° | 98.4° |
| B7 | B3 | B10 | B6 | 37.1° | 37.1° |
| B3 | B7 | B10 | B5 | 99.2° | 99.2° |
| B7 | B3 | B1 | C16 | 96.7° | 96.7° |
| B7 | B3 | B1 | B6 | 64.9° | 64.9° |
| B7 | B3 | B1 | B5 | 0.5° | 0.5° |
| B7 | B3 | B1 | C17 | 62.2° | 62.2° |
| B7 | B3 | C16 | B6 | 40.0° | 40.0° |
| B7 | B3 | C16 | C17 | 65.6° | 65.6° |
| B3 | B7 | B8 | B2 | 63.3° | 63.3° |
| B3 | B7 | B9 | B2 | 62.9° | 62.9° |
| B3 | B7 | B9 | B4 | 2.3° | 2.3° |
| B7 | B3 | B6 | B4 | 100.6° | 100.6° |
| B7 | B3 | C16 | B4 | 2.9° | 2.9° |
| B3 | B7 | B8 | B5 | 2.3° | 2.3° |
| B3 | B7 | B6 | B9 | 137.0° | 137.0° |
| B3 | B7 | B9 | B10 | 63.2° | 63.2° |
| B8 | B7 | B10 | B1 | 103.6° | 103.6° |
| B8 | B7 | B10 | B5 | 40.8° | 40.8° |
| B8 | B7 | B3 | B1 | 1.8° | 1.8° |
| B7 | B8 | B5 | B1 | 2.1° | 2.1° |
| B8 | B7 | B3 | C16 | 65.4° | 65.4° |
| B7 | B8 | B5 | C17 | 61.1° | 61.1° |
| B7 | B8 | B2 | B5 | 98.6° | 98.6° |
| B7 | B8 | B2 | C17 | 60.2° | 60.2° |
| B7 | B8 | B2 | B9 | 38.7° | 38.7° |
| B7 | B8 | B2 | B10 | 63.0° | 63.0° |
| B8 | B7 | B9 | B4 | 104.0° | 104.0° |
| B8 | B7 | B6 | B4 | 0.2° | 0.2° |
| B8 | B7 | B6 | C16 | 61.6° | 61.6° |
| B7 | B8 | B2 | B4 | 3.1° | 3.1° |
| B7 | B8 | B5 | B9 | 61.8° | 61.8° |
| B8 | B7 | B6 | B9 | 36.7° | 36.7° |
| B8 | B7 | B6 | B10 | 64.1° | 64.1° |
| B8 | B7 | B9 | B10 | 38.5° | 38.5° |
| B1 | B10 | B3 | B5 | 37.9° | 37.9° |
| B1 | B10 | B3 | B8 | 102.9° | 102.9° |
| B1 | B10 | B5 | B7 | 99.1° | 99.1° |
| B1 | B10 | B5 | B8 | 138.8° | 138.8° |
| B10 | B1 | B3 | C17 | 100.6° | 100.6° |
| B10 | B1 | B3 | C16 | 135.2° | 135.2° |
| B10 | B1 | B5 | C17 | 135.3° | 135.3° |
| B10 | B1 | B5 | C16 | 100.9° | 100.9° |
| B10 | B1 | C17 | C16 | 99.7° | 99.7° |
| B1 | B10 | B5 | B2 | 101.1° | 101.1° |
| B10 | B1 | C17 | B2 | 3.2° | 3.2° |
| B1 | B10 | B8 | B2 | 0.9° | 0.9° |
| B10 | B1 | C16 | B4 | 64.2° | 64.2° |
| B10 | B1 | C16 | B6 | 5.1° | 5.1° |
| B1 | B10 | B3 | B6 | 101.2° | 101.2° |
| B10 | B1 | C17 | B4 | 67.0° | 67.0° |
| B1 | B10 | B7 | B6 | 0.4° | 0.4° |
| B1 | B10 | B7 | B9 | 64.2° | 64.2° |
| B1 | B10 | B8 | B9 | 59.6° | 59.6° |
| B3 | B10 | B5 | B8 | 101.3° | 101.3° |
| B10 | B3 | C16 | B6 | 104.5° | 104.5° |
| B3 | B10 | B5 | C17 | 2.0° | 2.0° |
| B3 | B10 | B5 | B2 | 63.6° | 63.6° |
| B10 | B3 | C16 | C17 | 1.2° | 1.2° |
| B3 | B10 | B8 | B2 | 63.5° | 63.5° |
| B10 | B3 | B6 | B4 | 63.1° | 63.1° |
| B10 | B3 | C16 | B4 | 67.4° | 67.4° |
| B10 | B3 | B6 | B9 | 0.4° | 0.4° |
| B3 | B10 | B8 | B9 | 3.0° | 3.0° |
| B5 | B10 | B3 | C16 | 2.0° | 2.0° |
| B10 | B5 | C17 | B2 | 101.7° | 101.7° |
| B10 | B5 | C17 | B8 | 63.8° | 63.8° |
| B10 | B5 | B2 | B8 | 38.1° | 38.1° |
| B10 | B5 | C17 | C16 | 1.4° | 1.4° |
| B10 | B5 | B2 | B9 | 1.9° | 1.9° |
| B10 | B5 | B2 | B4 | 65.6° | 65.6° |
| B5 | B10 | B3 | B6 | 63.3° | 63.3° |
| B10 | B5 | C17 | B4 | 65.0° | 65.0° |
| B5 | B10 | B7 | B6 | 62.4° | 62.4° |
| B5 | B10 | B7 | B9 | 1.4° | 1.4° |
| B5 | B10 | B8 | B9 | 96.8° | 96.8° |
| B3 | B1 | B5 | C17 | 96.6° | 96.6° |
| B3 | B1 | B5 | C16 | 62.2° | 62.2° |
| B3 | B1 | C17 | C16 | 36.3° | 36.3° |
| B1 | B3 | C16 | B6 | 144.1° | 144.1° |
| B3 | B1 | B5 | B2 | 62.8° | 62.8° |
| B3 | B1 | C17 | B2 | 66.7° | 66.7° |
| B1 | B3 | B6 | B4 | 1.2° | 1.2° |
| B1 | B3 | C16 | B4 | 107.0° | 107.0° |
| B3 | B1 | C17 | B4 | 3.5° | 3.5° |
| B3 | B1 | B5 | B8 | 1.0° | 1.0° |
| B1 | B3 | B6 | B9 | 63.9° | 63.9° |
| B1 | B3 | B7 | B9 | 63.8° | 63.8° |
| B5 | B1 | C17 | C16 | 138.8° | 138.8° |
| B1 | B5 | C17 | B2 | 141.7° | 141.7° |
| B1 | B5 | C17 | B8 | 103.8° | 103.8° |
| B1 | B5 | B2 | B8 | 102.6° | 102.6° |
| B1 | B5 | B2 | B9 | 62.5° | 62.5° |
| B5 | B1 | C16 | B4 | 2.3° | 2.3° |
| B5 | B1 | C16 | B6 | 67.0° | 67.0° |
| B1 | B5 | B2 | B4 | 1.1° | 1.1° |
| B5 | B1 | B3 | B6 | 65.4° | 65.4° |
| B1 | B5 | C17 | B4 | 105.0° | 105.0° |
| B1 | B5 | B8 | B9 | 63.8° | 63.8° |
| B1 | C17 | B2 | C16 | 67.4° | 67.4° |
| B1 | C17 | B2 | B4 | 107.9° | 107.9° |
| B1 | C17 | C16 | B4 | 145.7° | 145.7° |
| B1 | C17 | B2 | B8 | 3.8° | 3.8° |
| B1 | C17 | B2 | B9 | 69.8° | 69.8° |
| B1 | C17 | B4 | B9 | 65.7° | 65.7° |
| B1 | C17 | B4 | B6 | 2.8° | 2.8° |
| B1 | C17 | C16 | B6 | 106.1° | 106.1° |
| C17 | B1 | B3 | B6 | 2.8° | 2.8° |
| C17 | B1 | B10 | B7 | 61.5° | 61.5° |
| C17 | B1 | B10 | B8 | 1.3° | 1.3° |
| B3 | C16 | C17 | B5 | 0.1° | 0.1° |
| B3 | C16 | C17 | B2 | 66.2° | 66.2° |
| B3 | C16 | C17 | B4 | 108.1° | 108.1° |
| B3 | C16 | C17 | B6 | 68.5° | 68.5° |
| B3 | C16 | B4 | B9 | 4.4° | 4.4° |
| B3 | C16 | B6 | B4 | 141.5° | 141.5° |
| B3 | C16 | B4 | B2 | 64.1° | 64.1° |
| C16 | B3 | B6 | B9 | 96.8° | 96.8° |
| C16 | B3 | B7 | B9 | 0.2° | 0.2° |
| C16 | B3 | B10 | B8 | 63.0° | 63.0° |
| C17 | B5 | B2 | B8 | 137.0° | 137.0° |
| B5 | C17 | B2 | C16 | 102.6° | 102.6° |
| B5 | C17 | B2 | B4 | 143.0° | 143.0° |
| B5 | C17 | C16 | B4 | 108.2° | 108.2° |
| B5 | C17 | B2 | B9 | 105.0° | 105.0° |
| B5 | C17 | B4 | B9 | 1.2° | 1.2° |
| B5 | C17 | B4 | B6 | 64.1° | 64.1° |
| B5 | C17 | C16 | B6 | 68.6° | 68.6° |
| C17 | B5 | B10 | B7 | 59.5° | 59.5° |
| C17 | B5 | B8 | B9 | 0.7° | 0.7° |
| B5 | B2 | B8 | B9 | 137.3° | 137.3° |
| B5 | B2 | B8 | B4 | 101.7° | 101.7° |
| B5 | B2 | B9 | B4 | 101.4° | 101.4° |
| B5 | B2 | B4 | B6 | 62.8° | 62.8° |
| B5 | B2 | B4 | C16 | 2.3° | 2.3° |
| B2 | B5 | B1 | C16 | 0.6° | 0.6° |
| B5 | B2 | B9 | B6 | 61.7° | 61.7° |
| B5 | B2 | B9 | B7 | 1.0° | 1.0° |
| B2 | B5 | B10 | B7 | 2.0° | 2.0° |
| B2 | C17 | C16 | B4 | 41.9° | 41.9° |
| C17 | B2 | B8 | B9 | 98.9° | 98.9° |
| C17 | B2 | B8 | B4 | 63.2° | 63.2° |
| C17 | B2 | B9 | B4 | 38.0° | 38.0° |
| B2 | C17 | B4 | B6 | 99.9° | 99.9° |
| B2 | C17 | C16 | B6 | 2.3° | 2.3° |
| C17 | B2 | B9 | B6 | 1.6° | 1.6° |
| C17 | B2 | B9 | B7 | 64.4° | 64.4° |
| C17 | B2 | B8 | B10 | 2.8° | 2.8° |
| C16 | C17 | B2 | B8 | 63.6° | 63.6° |
| C16 | C17 | B2 | B9 | 2.4° | 2.4° |
| C17 | C16 | B4 | B9 | 96.1° | 96.1° |
| C16 | C17 | B4 | B6 | 36.1° | 36.1° |
| C16 | C17 | B5 | B8 | 65.2° | 65.2° |
| C17 | C16 | B6 | B7 | 63.1° | 63.1° |
| C17 | C16 | B6 | B9 | 1.1° | 1.1° |
| B8 | B2 | B9 | B4 | 140.8° | 140.8° |
| B8 | B2 | B4 | B6 | 3.0° | 3.0° |
| B8 | B2 | B4 | C16 | 63.5° | 63.5° |
| B2 | B8 | B7 | B6 | 2.0° | 2.0° |
| B8 | B2 | B9 | B6 | 101.1° | 101.1° |
| B2 | B8 | B9 | B10 | 96.7° | 96.7° |
| B2 | B9 | B4 | B6 | 134.9° | 134.9° |
| B2 | B9 | B4 | B7 | 97.9° | 97.9° |
| B2 | B9 | B4 | C16 | 94.0° | 94.0° |
| B2 | B9 | B6 | C16 | 0.4° | 0.4° |
| B2 | B9 | B6 | B3 | 60.4° | 60.4° |
| B2 | B9 | B6 | B7 | 97.4° | 97.4° |
| B2 | B9 | B7 | B10 | 0.2° | 0.2° |
| B9 | B4 | B6 | C16 | 132.2° | 132.2° |
| B9 | B4 | B6 | C17 | 97.5° | 97.5° |
| B9 | B4 | C16 | B1 | 62.6° | 62.6° |
| B9 | B4 | B6 | B3 | 98.4° | 98.4° |
| B4 | B9 | B8 | B5 | 0.0° | 0.0° |
| B4 | B9 | B6 | B7 | 138.6° | 138.6° |
| B4 | B9 | B6 | B8 | 103.8° | 103.8° |
| B4 | B9 | B7 | B10 | 65.5° | 65.5° |
| B4 | B9 | B8 | B10 | 59.9° | 59.9° |
| B6 | B4 | C16 | B2 | 101.8° | 101.8° |
| B4 | B6 | C16 | B7 | 103.2° | 103.2° |
| B4 | B6 | C16 | B1 | 107.8° | 107.8° |
| B4 | B6 | B7 | B10 | 63.9° | 63.9° |
| C16 | B4 | B9 | B7 | 3.9° | 3.9° |
| C16 | B4 | B9 | B8 | 58.4° | 58.4° |
| C16 | B6 | B7 | B9 | 98.4° | 98.4° |
| C16 | B6 | B7 | B10 | 2.5° | 2.5° |
| C16 | B6 | B9 | B8 | 63.0° | 63.0° |
| H1 | C6 | C9 | H6 | 0.7° | 0.7° |
| H2 | C5 | C3 | H11 | 0.1° | 0.1° |
| H2 | C5 | C3 | H12 | 140.8° | 140.8° |
| H3 | C5 | C3 | H11 | 140.9° | 140.9° |
| H3 | C5 | C3 | H12 | 0.1° | 0.1° |
| H4 | C4 | C15 | H8 | 67.4° | 67.4° |
| H4 | C4 | C15 | H9 | 170.8° | 170.8° |
| H4 | C4 | N1 | H15 | 146.5° | 146.5° |
| H5 | C10 | C9 | H6 | 1.3° | 1.3° |
| H13 | C8 | N2 | H14 | 0.0° | 0.0° |
| B1 | C16 | B4 | B2 | 2.8° | 2.8° |
| C16 | B1 | B5 | B8 | 63.2° | 63.2° |
| B1 | C16 | B6 | B7 | 4.6° | 4.6° |
| B1 | C16 | B6 | B9 | 66.6° | 66.6° |
| C16 | B1 | B10 | B7 | 3.1° | 3.1° |
| C16 | B1 | B10 | B8 | 59.6° | 59.6° |
| B2 | B4 | B6 | B3 | 59.6° | 59.6° |
| B2 | B4 | B6 | B7 | 1.6° | 1.6° |
| B4 | B2 | B8 | B10 | 66.1° | 66.1° |
| B3 | B6 | B4 | C17 | 0.8° | 0.8° |
| B3 | B6 | B9 | B8 | 2.2° | 2.2° |
| B6 | B3 | B10 | B8 | 1.7° | 1.7° |
| B4 | C17 | B5 | B8 | 1.2° | 1.2° |
| C17 | B4 | B6 | B7 | 60.4° | 60.4° |
| C17 | B4 | B9 | B7 | 61.6° | 61.6° |
| C17 | B4 | B9 | B8 | 0.7° | 0.7° |
| B5 | B8 | B7 | B6 | 63.0° | 63.0° |
| B5 | B8 | B9 | B6 | 63.1° | 63.1° |
| B6 | B7 | B9 | B10 | 102.1° | 102.1° |
| B6 | B9 | B8 | B10 | 3.3° | 3.3° |
