A1H11
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O1 | sing | 1.43Å | 1.42Å | |
| C3 | O | sing | 1.43Å | 1.43Å | |
| O | C2 | sing | 1.36Å | 1.35Å | |
| O1 | C4 | sing | 1.36Å | 1.40Å | |
| C11 | C10 | sing | 1.56Å | 1.55Å | |
| C11 | C12 | sing | 1.55Å | 1.54Å | |
| C10 | C9 | sing | 1.54Å | 1.53Å | |
| C4 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | N2 | sing | 1.48Å | 1.47Å | |
| O2 | C7 | doub | 1.22Å | 1.25Å | |
| N2 | C9 | sing | 1.48Å | 1.47Å | |
| N2 | C13 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C8 | N1 | sing | 1.47Å | 1.45Å | |
| C7 | C6 | sing | 1.48Å | 1.46Å | |
| C7 | N1 | sing | 1.35Å | 1.32Å | |
| C6 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.31Å | 1.49Å | |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C16 | C | sing | 1.38Å | 1.39Å | Aromatic |
| C | S | sing | 1.76Å | 1.77Å | |
| N | S | sing | 1.66Å | 1.58Å | |
| S | O3 | doub | 1.42Å | 1.45Å | |
| S | O4 | doub | 1.42Å | 1.46Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | O1 | C4 | 115.9° | 117.0° |
| O1 | C5 | H6 | 109.5° | 109.5° |
| O1 | C5 | H7 | 109.5° | 109.4° |
| O1 | C5 | H8 | 109.5° | 109.5° |
| C3 | O | C2 | 117.7° | 117.0° |
| O | C3 | H3 | 109.5° | 109.5° |
| O | C3 | H4 | 109.4° | 109.5° |
| O | C3 | H5 | 109.5° | 109.5° |
| O | C2 | C4 | 114.1° | 120.0° |
| O | C2 | C1 | 125.7° | 120.0° |
| O1 | C4 | C2 | 120.8° | 120.2° |
| O1 | C4 | C6 | 118.5° | 120.1° |
| C10 | C11 | C12 | 103.1° | 101.7° |
| C11 | C10 | C9 | 105.4° | 102.9° |
| C10 | C11 | H15 | 111.1° | 110.9° |
| C10 | C11 | H16 | 111.0° | 111.0° |
| C11 | C10 | H13 | 110.5° | 110.7° |
| C11 | C10 | H14 | 110.5° | 110.7° |
| C11 | C12 | N2 | 103.4° | 104.9° |
| C11 | C12 | H17 | 110.9° | 110.4° |
| C11 | C12 | H18 | 111.0° | 110.4° |
| C12 | C11 | H15 | 111.0° | 111.0° |
| C12 | C11 | H16 | 111.1° | 111.0° |
| C10 | C9 | N2 | 103.2° | 107.3° |
| C10 | C9 | C8 | 110.6° | 109.9° |
| C10 | C9 | H12 | 111.2° | 109.9° |
| C9 | C10 | H13 | 110.5° | 110.8° |
| C9 | C10 | H14 | 110.5° | 110.7° |
| C2 | C4 | C6 | 119.9° | 119.7° |
| C4 | C2 | C1 | 120.2° | 120.0° |
| C4 | C6 | C7 | 119.3° | 120.2° |
| C4 | C6 | C16 | 120.7° | 119.6° |
| C2 | C1 | C | 118.5° | 120.4° |
| C2 | C1 | H2 | 120.8° | 119.8° |
| C12 | N2 | C9 | 103.1° | 108.6° |
| C12 | N2 | C13 | 112.7° | 111.0° |
| N2 | C12 | H17 | 111.0° | 110.4° |
| N2 | C12 | H18 | 111.0° | 110.4° |
| O2 | C7 | C6 | 120.5° | 120.0° |
| O2 | C7 | N1 | 126.5° | 120.0° |
| C9 | N2 | C13 | 113.1° | 111.0° |
| N2 | C9 | C8 | 107.5° | 109.9° |
| N2 | C9 | H12 | 112.1° | 109.9° |
| N2 | C13 | C14 | 109.3° | 109.5° |
| N2 | C13 | H20 | 109.5° | 109.5° |
| N2 | C13 | H19 | 109.5° | 109.4° |
| C9 | C8 | N1 | 112.5° | 109.5° |
| C9 | C8 | H10 | 108.7° | 109.5° |
| C9 | C8 | H11 | 108.7° | 109.5° |
| C8 | C9 | H12 | 111.9° | 109.9° |
| C8 | N1 | C7 | 118.5° | 120.0° |
| C8 | N1 | H9 | 120.7° | 120.0° |
| N1 | C8 | H10 | 108.7° | 109.5° |
| N1 | C8 | H11 | 108.7° | 109.5° |
| C6 | C7 | N1 | 112.6° | 120.0° |
| C7 | C6 | C16 | 119.9° | 120.2° |
| C7 | N1 | H9 | 120.8° | 120.0° |
| C6 | C16 | C | 120.4° | 120.0° |
| C6 | C16 | H24 | 119.8° | 120.0° |
| C1 | C | C16 | 120.2° | 120.3° |
| C1 | C | S | 122.1° | 119.8° |
| C | C1 | H2 | 120.7° | 119.8° |
| C15 | C14 | C13 | 128.0° | 120.0° |
| C15 | C14 | H21 | 116.0° | 120.0° |
| C14 | C15 | H22 | 120.0° | 120.0° |
| C14 | C15 | H23 | 120.0° | 120.0° |
| C14 | C13 | H20 | 109.5° | 109.5° |
| C14 | C13 | H19 | 109.5° | 109.5° |
| C13 | C14 | H21 | 116.0° | 120.0° |
| C16 | C | S | 117.5° | 119.8° |
| C | C16 | H24 | 119.8° | 120.0° |
| C | S | N | 109.8° | 107.2° |
| C | S | O3 | 104.7° | 106.4° |
| C | S | O4 | 106.1° | 106.4° |
| N | S | O3 | 109.8° | 106.4° |
| N | S | O4 | 108.5° | 106.4° |
| S | N | H | 109.5° | 120.0° |
| S | N | H1 | 109.5° | 120.0° |
| O3 | S | O4 | 117.7° | 123.2° |
| H | N | H1 | 109.5° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H6 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.4° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| H3 | C3 | H5 | 109.4° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H20 | C13 | H19 | 109.5° | 109.5° |
| H22 | C15 | H23 | 120.0° | 120.0° |
| H17 | C12 | H18 | 109.5° | 110.3° |
| H15 | C11 | H16 | 109.5° | 110.9° |
| H13 | C10 | H14 | 109.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | O1 | C4 | C2 | 114.1° | 90.0° |
| C5 | O1 | C4 | C6 | 76.4° | 90.5° |
| O1 | C5 | H6 | H7 | 120.0° | 120.0° |
| O1 | C5 | H6 | H8 | 120.0° | 120.0° |
| O1 | C5 | H7 | H8 | 120.0° | 120.0° |
| C3 | O | C2 | C4 | 176.4° | 180.0° |
| C3 | O | C2 | C1 | 4.5° | 0.5° |
| O | C3 | H3 | H4 | 120.0° | 120.0° |
| O | C3 | H3 | H5 | 120.0° | 120.0° |
| O | C3 | H4 | H5 | 120.0° | 120.0° |
| O | C2 | C4 | O1 | 11.1° | 0.6° |
| O | C2 | C4 | C1 | 179.2° | 179.4° |
| O | C2 | C4 | C6 | 179.5° | 180.0° |
| O | C2 | C1 | C | 178.5° | 180.0° |
| O | C2 | C1 | H2 | 1.5° | 0.3° |
| C2 | O | C3 | H3 | 180.0° | 59.9° |
| C2 | O | C3 | H4 | 60.0° | 60.0° |
| C2 | O | C3 | H5 | 60.0° | 180.0° |
| O1 | C4 | C2 | C6 | 169.4° | 179.5° |
| O1 | C4 | C2 | C1 | 168.0° | 180.0° |
| O1 | C4 | C6 | C7 | 13.6° | 0.3° |
| O1 | C4 | C6 | C16 | 168.7° | 179.7° |
| C4 | O1 | C5 | H6 | 180.0° | 59.9° |
| C4 | O1 | C5 | H7 | 60.0° | 60.0° |
| C4 | O1 | C5 | H8 | 60.0° | 180.0° |
| C10 | C11 | C12 | H15 | 119.0° | 118.1° |
| C10 | C11 | C12 | H16 | 119.0° | 118.1° |
| C11 | C10 | C9 | H13 | 119.4° | 118.4° |
| C11 | C10 | C9 | H14 | 119.4° | 118.3° |
| C10 | C11 | C12 | N2 | 29.7° | 37.1° |
| C11 | C10 | C9 | N2 | 24.2° | 22.3° |
| C11 | C10 | C9 | C8 | 139.0° | 97.1° |
| C11 | C10 | C9 | H12 | 96.1° | 141.8° |
| C10 | C11 | C12 | H17 | 89.3° | 156.0° |
| C10 | C11 | C12 | H18 | 148.8° | 81.8° |
| C10 | C11 | H15 | H16 | 123.0° | 123.8° |
| C11 | C10 | H13 | H14 | 121.9° | 123.2° |
| C12 | C11 | C10 | C9 | 3.3° | 35.6° |
| C11 | C12 | N2 | H17 | 119.0° | 118.9° |
| C11 | C12 | N2 | H18 | 119.0° | 118.9° |
| C11 | C12 | N2 | C9 | 46.3° | 24.1° |
| C11 | C12 | N2 | C13 | 168.6° | 146.3° |
| C11 | C12 | H17 | H18 | 122.8° | 122.3° |
| C12 | C11 | H15 | H16 | 123.0° | 123.9° |
| C12 | C11 | C10 | H13 | 122.6° | 82.8° |
| C12 | C11 | C10 | H14 | 116.1° | 154.0° |
| C10 | C9 | N2 | C12 | 43.8° | 0.9° |
| C10 | C9 | N2 | C8 | 117.0° | 119.5° |
| C10 | C9 | N2 | H12 | 119.7° | 119.5° |
| C10 | C9 | N2 | C13 | 165.8° | 123.2° |
| C10 | C9 | C8 | H12 | 124.5° | 121.1° |
| C10 | C9 | C8 | N1 | 72.2° | 173.2° |
| C10 | C9 | C8 | H10 | 167.3° | 66.7° |
| C10 | C9 | C8 | H11 | 48.2° | 53.2° |
| C9 | C10 | C11 | H15 | 122.2° | 82.5° |
| C9 | C10 | C11 | H16 | 115.7° | 153.8° |
| C9 | C10 | H13 | H14 | 121.9° | 123.3° |
| C2 | C4 | C6 | C7 | 176.8° | 179.8° |
| C2 | C4 | C6 | C16 | 0.9° | 0.2° |
| C4 | C2 | C1 | C | 2.4° | 0.5° |
| C4 | C2 | C1 | H2 | 177.6° | 179.8° |
| C6 | C4 | C2 | C1 | 1.3° | 0.5° |
| C4 | C6 | C7 | O2 | 79.6° | 0.0° |
| C4 | C6 | C7 | C16 | 177.7° | 180.0° |
| C4 | C6 | C7 | N1 | 93.6° | 180.0° |
| C4 | C6 | C16 | C | 1.5° | 0.1° |
| C4 | C6 | C16 | H24 | 178.5° | 180.0° |
| C2 | C1 | C | H2 | 180.0° | 179.7° |
| C2 | C1 | C | C16 | 3.1° | 0.2° |
| C2 | C1 | C | S | 172.6° | 179.7° |
| C12 | N2 | C9 | C13 | 122.0° | 122.3° |
| C12 | N2 | C9 | C8 | 160.8° | 120.4° |
| C12 | N2 | C13 | C14 | 57.0° | 69.1° |
| C12 | N2 | C9 | H12 | 75.9° | 118.6° |
| C12 | N2 | C13 | H20 | 176.9° | 170.8° |
| C12 | N2 | C13 | H19 | 63.0° | 50.9° |
| N2 | C12 | H17 | H18 | 122.8° | 122.2° |
| N2 | C12 | C11 | H15 | 148.7° | 81.0° |
| N2 | C12 | C11 | H16 | 89.2° | 155.2° |
| O2 | C7 | N1 | C8 | 7.6° | 0.0° |
| O2 | C7 | C6 | N1 | 173.1° | 180.0° |
| O2 | C7 | C6 | C16 | 98.1° | 180.0° |
| O2 | C7 | N1 | H9 | 172.4° | 180.0° |
| N2 | C9 | C8 | H12 | 123.4° | 121.0° |
| N2 | C9 | C8 | N1 | 175.7° | 55.3° |
| C9 | N2 | C13 | C14 | 173.4° | 170.0° |
| N2 | C9 | C8 | H10 | 55.2° | 175.4° |
| N2 | C9 | C8 | H11 | 63.8° | 64.7° |
| C9 | N2 | C13 | H20 | 66.6° | 50.0° |
| C9 | N2 | C13 | H19 | 53.5° | 70.0° |
| C9 | N2 | C12 | H17 | 72.7° | 143.0° |
| C9 | N2 | C12 | H18 | 165.3° | 94.9° |
| N2 | C9 | C10 | H13 | 95.2° | 96.1° |
| N2 | C9 | C10 | H14 | 143.6° | 140.7° |
| C13 | N2 | C9 | C8 | 77.2° | 117.3° |
| N2 | C13 | C14 | C15 | 99.2° | 125.0° |
| N2 | C13 | C14 | H20 | 120.0° | 120.0° |
| N2 | C13 | C14 | H19 | 120.0° | 120.0° |
| C13 | N2 | C9 | H12 | 46.1° | 3.7° |
| N2 | C13 | H20 | H19 | 120.1° | 120.0° |
| N2 | C13 | C14 | H21 | 80.8° | 55.0° |
| C13 | N2 | C12 | H17 | 49.6° | 94.8° |
| C13 | N2 | C12 | H18 | 72.4° | 27.4° |
| C9 | C8 | N1 | H10 | 120.4° | 120.0° |
| C9 | C8 | N1 | H11 | 120.4° | 120.0° |
| C9 | C8 | N1 | C7 | 164.0° | 180.0° |
| C9 | C8 | N1 | H9 | 16.0° | 0.0° |
| C9 | C8 | H10 | H11 | 118.6° | 120.0° |
| C8 | C9 | C10 | H13 | 19.6° | 144.5° |
| C8 | C9 | C10 | H14 | 101.6° | 21.2° |
| C8 | N1 | C7 | C6 | 165.0° | 180.0° |
| C8 | N1 | C7 | H9 | 180.0° | 180.0° |
| N1 | C8 | H10 | H11 | 118.7° | 120.0° |
| N1 | C8 | C9 | H12 | 52.3° | 65.7° |
| C7 | C6 | C16 | C | 176.2° | 179.9° |
| C7 | C6 | C16 | H24 | 3.9° | 0.0° |
| C6 | C7 | N1 | H9 | 14.9° | 0.0° |
| N1 | C7 | C6 | C16 | 88.7° | 0.0° |
| C7 | N1 | C8 | H10 | 75.6° | 60.0° |
| C7 | N1 | C8 | H11 | 43.5° | 60.0° |
| C6 | C16 | C | C1 | 2.6° | 0.1° |
| C6 | C16 | C | H24 | 180.0° | 179.9° |
| C6 | C16 | C | S | 173.2° | 180.0° |
| C1 | C | C16 | S | 175.8° | 179.9° |
| C1 | C | S | N | 11.9° | 90.0° |
| C1 | C | S | O3 | 105.8° | 156.5° |
| C1 | C | S | O4 | 129.0° | 23.6° |
| C1 | C | C16 | H24 | 177.3° | 180.0° |
| C15 | C14 | C13 | H21 | 180.0° | 180.0° |
| C15 | C14 | C13 | H20 | 20.8° | 5.0° |
| C15 | C14 | C13 | H19 | 140.9° | 115.0° |
| C14 | C15 | H22 | H23 | 180.0° | 179.9° |
| C14 | C13 | H20 | H19 | 120.1° | 120.0° |
| C13 | C14 | C15 | H22 | 180.0° | 180.0° |
| C13 | C14 | C15 | H23 | 0.0° | 0.1° |
| C16 | C | S | N | 172.3° | 89.9° |
| C16 | C | S | O3 | 69.9° | 23.6° |
| C16 | C | S | O4 | 55.3° | 156.5° |
| C16 | C | C1 | H2 | 176.9° | 179.9° |
| C | S | N | O3 | 114.6° | 113.5° |
| C | S | N | O4 | 115.5° | 113.6° |
| C | S | O3 | O4 | 117.5° | 123.0° |
| S | C | C1 | H2 | 7.4° | 0.0° |
| C | S | N | H | 180.0° | 180.0° |
| C | S | N | H1 | 60.0° | 0.1° |
| S | C | C16 | H24 | 6.8° | 0.1° |
| N | S | O3 | O4 | 124.7° | 122.9° |
| S | N | H | H1 | 120.0° | 179.9° |
| O3 | S | N | H | 65.5° | 66.5° |
| O3 | S | N | H1 | 54.6° | 113.6° |
| O4 | S | N | H | 64.5° | 66.4° |
| O4 | S | N | H1 | 175.5° | 113.5° |
| H6 | C5 | H7 | H8 | 120.0° | 120.0° |
| H3 | C3 | H4 | H5 | 120.0° | 120.0° |
| H9 | N1 | C8 | H10 | 104.4° | 120.0° |
| H9 | N1 | C8 | H11 | 136.5° | 120.0° |
| H10 | C8 | C9 | H12 | 68.2° | 54.4° |
| H11 | C8 | C9 | H12 | 172.7° | 174.3° |
| H12 | C9 | C10 | H13 | 144.5° | 23.4° |
| H12 | C9 | C10 | H14 | 23.3° | 99.9° |
| H20 | C13 | C14 | H21 | 159.1° | 175.0° |
| H19 | C13 | C14 | H21 | 39.1° | 65.0° |
| H21 | C14 | C15 | H22 | 0.1° | 0.0° |
| H21 | C14 | C15 | H23 | 180.0° | 180.0° |
| H17 | C12 | C11 | H15 | 29.7° | 37.9° |
| H17 | C12 | C11 | H16 | 151.7° | 85.9° |
| H18 | C12 | C11 | H15 | 92.3° | 160.1° |
| H18 | C12 | C11 | H16 | 29.8° | 36.3° |
| H15 | C11 | C10 | H13 | 118.4° | 159.1° |
| H15 | C11 | C10 | H14 | 2.8° | 35.9° |
| H16 | C11 | C10 | H13 | 3.7° | 35.4° |
| H16 | C11 | C10 | H14 | 124.9° | 87.8° |
