HX9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | N4 | sing | 1.42Å | 1.42Å | |
| O8 | C12 | doub | 1.21Å | 1.17Å | |
| N4 | C12 | sing | 1.35Å | 1.45Å | |
| C12 | C5 | sing | 1.51Å | 1.55Å | |
| O1 | C3 | doub | 1.21Å | 1.20Å | |
| C11 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | N2 | sing | 1.46Å | 1.48Å | |
| C3 | N1 | sing | 1.35Å | 1.48Å | |
| C3 | C13 | sing | 1.51Å | 1.55Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| N2 | C4 | sing | 1.35Å | 1.50Å | |
| C2 | C4 | sing | 1.51Å | 1.57Å | |
| C2 | C1 | sing | 1.53Å | 1.58Å | |
| C4 | O3 | doub | 1.21Å | 1.19Å | |
| C1 | C6 | sing | 1.53Å | 1.59Å | |
| C6 | C7 | sing | 1.53Å | 1.58Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | N3 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.51Å | 1.58Å | |
| N3 | C10 | sing | 1.35Å | 1.46Å | |
| C10 | O6 | doub | 1.21Å | 1.20Å | |
| C10 | C14 | sing | 1.51Å | 1.53Å | |
| C9 | O5 | doub | 1.21Å | 1.29Å | |
| C9 | O4 | sing | 1.34Å | 1.27Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| O4 | H23 | sing | 0.97Å | 0.95Å | |
| O9 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | N4 | C12 | 120.2° | 120.0° |
| O9 | N4 | H22 | 119.9° | 120.0° |
| N4 | O9 | H24 | 109.5° | 114.0° |
| O8 | C12 | N4 | 112.5° | 120.0° |
| O8 | C12 | C5 | 116.6° | 120.0° |
| N4 | C12 | C5 | 130.8° | 120.0° |
| C12 | N4 | H22 | 119.9° | 120.0° |
| C12 | C5 | C11 | 110.7° | 109.5° |
| C12 | C5 | N2 | 120.8° | 109.5° |
| C12 | C5 | H4 | 105.5° | 109.4° |
| O1 | C3 | N1 | 112.6° | 120.0° |
| O1 | C3 | C13 | 120.2° | 120.0° |
| C11 | C5 | N2 | 106.9° | 109.5° |
| C11 | C5 | H4 | 105.6° | 109.5° |
| C5 | C11 | H7 | 109.5° | 109.5° |
| C5 | C11 | H8 | 109.5° | 109.5° |
| C5 | C11 | H9 | 109.5° | 109.5° |
| C5 | N2 | C4 | 126.0° | 120.0° |
| N2 | C5 | H4 | 106.3° | 109.5° |
| C5 | N2 | H17 | 117.0° | 120.0° |
| N1 | C3 | C13 | 127.3° | 120.0° |
| C3 | N1 | C2 | 135.3° | 120.0° |
| C3 | N1 | H16 | 112.4° | 120.0° |
| C3 | C13 | H13 | 109.5° | 109.5° |
| C3 | C13 | H14 | 109.5° | 109.4° |
| C3 | C13 | H15 | 109.5° | 109.5° |
| N1 | C2 | C4 | 105.6° | 109.5° |
| N1 | C2 | C1 | 120.1° | 109.5° |
| C2 | N1 | H16 | 112.3° | 120.0° |
| N1 | C2 | H21 | 105.2° | 109.4° |
| N2 | C4 | C2 | 127.9° | 120.0° |
| N2 | C4 | O3 | 114.6° | 120.0° |
| C4 | N2 | H17 | 117.0° | 120.0° |
| C4 | C2 | C1 | 116.0° | 109.5° |
| C2 | C4 | O3 | 117.4° | 119.9° |
| C4 | C2 | H21 | 104.2° | 109.5° |
| C2 | C1 | C6 | 119.1° | 109.5° |
| C2 | C1 | H19 | 107.0° | 109.5° |
| C2 | C1 | H20 | 107.0° | 109.5° |
| C1 | C2 | H21 | 104.2° | 109.5° |
| C1 | C6 | C7 | 122.2° | 109.5° |
| C1 | C6 | H5 | 106.2° | 109.4° |
| C1 | C6 | H6 | 106.2° | 109.4° |
| C6 | C1 | H19 | 107.0° | 109.4° |
| C6 | C1 | H20 | 107.0° | 109.4° |
| C6 | C7 | C8 | 115.8° | 109.5° |
| C7 | C6 | H5 | 106.2° | 109.5° |
| C7 | C6 | H6 | 106.2° | 109.4° |
| C6 | C7 | H10 | 107.9° | 109.4° |
| C6 | C7 | H11 | 107.9° | 109.5° |
| C7 | C8 | N3 | 102.6° | 109.5° |
| C7 | C8 | C9 | 125.3° | 109.5° |
| C8 | C7 | H10 | 107.9° | 109.4° |
| C8 | C7 | H11 | 107.9° | 109.4° |
| C7 | C8 | H12 | 106.7° | 109.4° |
| N3 | C8 | C9 | 107.1° | 109.5° |
| C8 | N3 | C10 | 124.0° | 120.0° |
| N3 | C8 | H12 | 107.6° | 109.4° |
| C8 | N3 | H18 | 118.0° | 120.0° |
| C8 | C9 | O5 | 131.3° | 120.0° |
| C8 | C9 | O4 | 113.1° | 120.0° |
| C9 | C8 | H12 | 106.4° | 109.5° |
| N3 | C10 | O6 | 122.7° | 120.0° |
| N3 | C10 | C14 | 116.8° | 120.0° |
| C10 | N3 | H18 | 118.0° | 120.0° |
| O6 | C10 | C14 | 120.5° | 120.0° |
| C10 | C14 | H1 | 109.5° | 109.5° |
| C10 | C14 | H2 | 109.5° | 109.5° |
| C10 | C14 | H3 | 109.5° | 109.5° |
| O5 | C9 | O4 | 115.6° | 120.0° |
| C9 | O4 | H23 | 109.5° | 117.0° |
| H1 | C14 | H2 | 109.4° | 109.5° |
| H1 | C14 | H3 | 109.5° | 109.4° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H9 | 109.4° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.4° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H19 | C1 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | N4 | C12 | O8 | 0.6° | 0.0° |
| O9 | N4 | C12 | H22 | 180.0° | 179.9° |
| O9 | N4 | C12 | C5 | 178.4° | 179.9° |
| O8 | C12 | N4 | C5 | 179.0° | 180.0° |
| O8 | C12 | C5 | C11 | 67.6° | 120.0° |
| O8 | C12 | C5 | N2 | 166.5° | 0.0° |
| O8 | C12 | C5 | H4 | 46.2° | 120.0° |
| O8 | C12 | N4 | H22 | 179.4° | 180.0° |
| N4 | C12 | C5 | C11 | 113.5° | 59.9° |
| N4 | C12 | C5 | N2 | 12.4° | 180.0° |
| N4 | C12 | C5 | H4 | 132.8° | 60.0° |
| C12 | N4 | O9 | H24 | 0.3° | 180.0° |
| C12 | C5 | C11 | N2 | 133.4° | 120.1° |
| C12 | C5 | C11 | H4 | 113.7° | 119.9° |
| C12 | C5 | N2 | H4 | 119.9° | 119.9° |
| C12 | C5 | N2 | C4 | 125.3° | 154.9° |
| C12 | C5 | C11 | H7 | 180.0° | 60.0° |
| C12 | C5 | C11 | H8 | 60.0° | 60.1° |
| C12 | C5 | C11 | H9 | 60.0° | 180.0° |
| C12 | C5 | N2 | H17 | 54.7° | 25.0° |
| C5 | C12 | N4 | H22 | 1.6° | 0.0° |
| O1 | C3 | N1 | C13 | 179.8° | 180.0° |
| O1 | C3 | N1 | C2 | 176.6° | 0.0° |
| O1 | C3 | C13 | H13 | 0.0° | 180.0° |
| O1 | C3 | C13 | H14 | 120.0° | 60.0° |
| O1 | C3 | C13 | H15 | 120.0° | 60.0° |
| O1 | C3 | N1 | H16 | 3.4° | 180.0° |
| C11 | C5 | N2 | H4 | 112.4° | 120.0° |
| C11 | C5 | N2 | C4 | 107.0° | 85.0° |
| C5 | C11 | H7 | H8 | 120.0° | 120.0° |
| C5 | C11 | H7 | H9 | 120.0° | 120.0° |
| C5 | C11 | H8 | H9 | 120.0° | 120.0° |
| C11 | C5 | N2 | H17 | 73.0° | 95.0° |
| C5 | N2 | C4 | H17 | 180.0° | 180.0° |
| C5 | N2 | C4 | C2 | 5.9° | 179.7° |
| C5 | N2 | C4 | O3 | 177.7° | 0.0° |
| N2 | C5 | C11 | H7 | 46.6° | 180.0° |
| N2 | C5 | C11 | H8 | 166.6° | 60.0° |
| N2 | C5 | C11 | H9 | 73.4° | 60.0° |
| C3 | N1 | C2 | H16 | 180.0° | 180.0° |
| C3 | N1 | C2 | C4 | 93.5° | 60.0° |
| C3 | N1 | C2 | C1 | 39.8° | 60.0° |
| N1 | C3 | C13 | H13 | 179.8° | 0.0° |
| N1 | C3 | C13 | H14 | 60.2° | 120.0° |
| N1 | C3 | C13 | H15 | 59.8° | 120.0° |
| C3 | N1 | C2 | H21 | 156.6° | 180.0° |
| C13 | C3 | N1 | C2 | 3.6° | 180.0° |
| C3 | C13 | H13 | H14 | 120.0° | 119.9° |
| C3 | C13 | H13 | H15 | 120.0° | 120.0° |
| C3 | C13 | H14 | H15 | 120.0° | 120.0° |
| C13 | C3 | N1 | H16 | 176.5° | 0.0° |
| N1 | C2 | C4 | N2 | 13.1° | 159.7° |
| N1 | C2 | C4 | C1 | 135.6° | 120.0° |
| N1 | C2 | C4 | H21 | 110.5° | 119.9° |
| N1 | C2 | C1 | H21 | 117.3° | 120.0° |
| N1 | C2 | C4 | O3 | 170.6° | 20.0° |
| N1 | C2 | C1 | C6 | 97.0° | 65.0° |
| N1 | C2 | C1 | H19 | 24.3° | 175.0° |
| N1 | C2 | C1 | H20 | 141.6° | 55.0° |
| N2 | C4 | C2 | O3 | 176.3° | 179.8° |
| N2 | C4 | C2 | C1 | 148.7° | 80.2° |
| C4 | N2 | C5 | H4 | 5.4° | 35.0° |
| N2 | C4 | C2 | H21 | 97.4° | 39.8° |
| C4 | C2 | C1 | H21 | 113.9° | 120.0° |
| C4 | C2 | C1 | C6 | 134.2° | 175.0° |
| C4 | C2 | N1 | H16 | 86.4° | 120.0° |
| C2 | C4 | N2 | H17 | 174.1° | 0.2° |
| C4 | C2 | C1 | H19 | 104.5° | 55.0° |
| C4 | C2 | C1 | H20 | 12.8° | 65.0° |
| C1 | C2 | C4 | O3 | 35.1° | 100.0° |
| C2 | C1 | C6 | H19 | 121.3° | 120.1° |
| C2 | C1 | C6 | H20 | 121.4° | 120.0° |
| C2 | C1 | C6 | C7 | 100.3° | 180.0° |
| C2 | C1 | C6 | H5 | 21.4° | 59.9° |
| C2 | C1 | C6 | H6 | 137.9° | 60.0° |
| C1 | C2 | N1 | H16 | 140.2° | 120.0° |
| C2 | C1 | H19 | H20 | 115.7° | 120.0° |
| O3 | C4 | N2 | H17 | 2.3° | 180.0° |
| O3 | C4 | C2 | H21 | 78.8° | 140.0° |
| C1 | C6 | C7 | H5 | 121.7° | 120.0° |
| C1 | C6 | C7 | H6 | 121.7° | 120.0° |
| C1 | C6 | C7 | C8 | 89.5° | 180.0° |
| C1 | C6 | H5 | H6 | 114.2° | 119.9° |
| C1 | C6 | C7 | H10 | 31.4° | 60.0° |
| C1 | C6 | C7 | H11 | 149.5° | 60.0° |
| C6 | C1 | H19 | H20 | 115.7° | 119.9° |
| C6 | C1 | C2 | H21 | 20.3° | 55.0° |
| C6 | C7 | C8 | H10 | 120.9° | 120.0° |
| C6 | C7 | C8 | H11 | 120.9° | 120.1° |
| C6 | C7 | C8 | N3 | 52.0° | 64.9° |
| C6 | C7 | C8 | C9 | 173.9° | 175.0° |
| C7 | C6 | H5 | H6 | 114.3° | 120.0° |
| C6 | C7 | H10 | H11 | 117.1° | 120.1° |
| C6 | C7 | C8 | H12 | 61.1° | 55.0° |
| C7 | C6 | C1 | H19 | 138.4° | 59.9° |
| C7 | C6 | C1 | H20 | 21.1° | 60.0° |
| C7 | C8 | N3 | C9 | 133.6° | 120.0° |
| C7 | C8 | N3 | H12 | 112.3° | 119.9° |
| C7 | C8 | C9 | H12 | 125.1° | 120.0° |
| C7 | C8 | N3 | C10 | 76.0° | 155.0° |
| C7 | C8 | C9 | O5 | 20.8° | 120.0° |
| C7 | C8 | C9 | O4 | 160.5° | 60.0° |
| C8 | C7 | C6 | H5 | 148.7° | 60.0° |
| C8 | C7 | C6 | H6 | 32.2° | 60.0° |
| C8 | C7 | H10 | H11 | 117.1° | 119.9° |
| C7 | C8 | N3 | H18 | 104.0° | 25.1° |
| N3 | C8 | C9 | H12 | 114.9° | 120.0° |
| C8 | N3 | C10 | H18 | 180.0° | 180.0° |
| C8 | N3 | C10 | O6 | 1.1° | 0.0° |
| C8 | N3 | C10 | C14 | 179.2° | 180.0° |
| N3 | C8 | C9 | O5 | 140.7° | 0.0° |
| N3 | C8 | C9 | O4 | 40.5° | 180.0° |
| N3 | C8 | C7 | H10 | 69.0° | 55.0° |
| N3 | C8 | C7 | H11 | 172.9° | 175.0° |
| C9 | C8 | N3 | C10 | 57.6° | 85.0° |
| C8 | C9 | O5 | O4 | 178.8° | 180.0° |
| C9 | C8 | C7 | H10 | 53.0° | 65.0° |
| C9 | C8 | C7 | H11 | 65.1° | 54.9° |
| C9 | C8 | N3 | H18 | 122.4° | 95.0° |
| C8 | C9 | O4 | H23 | 179.0° | 179.9° |
| N3 | C10 | O6 | C14 | 179.7° | 180.0° |
| N3 | C10 | C14 | H1 | 179.7° | 90.0° |
| N3 | C10 | C14 | H2 | 59.7° | 30.0° |
| N3 | C10 | C14 | H3 | 60.2° | 150.0° |
| C10 | N3 | C8 | H12 | 171.7° | 35.1° |
| O6 | C10 | C14 | H1 | 0.0° | 89.9° |
| O6 | C10 | C14 | H2 | 120.0° | 150.0° |
| O6 | C10 | C14 | H3 | 120.0° | 30.0° |
| O6 | C10 | N3 | H18 | 178.9° | 180.0° |
| C10 | C14 | H1 | H2 | 120.0° | 120.0° |
| C10 | C14 | H1 | H3 | 120.0° | 120.0° |
| C10 | C14 | H2 | H3 | 120.0° | 120.0° |
| C14 | C10 | N3 | H18 | 0.8° | 0.0° |
| O5 | C9 | C8 | H12 | 104.3° | 120.0° |
| O5 | C9 | O4 | H23 | 0.0° | 0.1° |
| O4 | C9 | C8 | H12 | 74.4° | 60.0° |
| H1 | C14 | H2 | H3 | 120.0° | 119.9° |
| H4 | C5 | C11 | H7 | 66.3° | 60.0° |
| H4 | C5 | C11 | H8 | 53.7° | NaN° |
| H4 | C5 | C11 | H9 | 173.7° | 60.1° |
| H4 | C5 | N2 | H17 | 174.6° | 145.0° |
| H5 | C6 | C7 | H10 | 90.4° | 60.0° |
| H5 | C6 | C7 | H11 | 27.8° | 180.0° |
| H5 | C6 | C1 | H19 | 99.9° | 180.0° |
| H5 | C6 | C1 | H20 | 142.8° | 60.1° |
| H6 | C6 | C7 | H10 | 153.1° | 180.0° |
| H6 | C6 | C7 | H11 | 88.7° | 60.0° |
| H6 | C6 | C1 | H19 | 16.6° | 60.0° |
| H6 | C6 | C1 | H20 | 100.7° | 180.0° |
| H7 | C11 | H8 | H9 | 119.9° | 120.0° |
| H10 | C7 | C8 | H12 | 178.0° | 175.0° |
| H11 | C7 | C8 | H12 | 59.9° | 65.1° |
| H12 | C8 | N3 | H18 | 8.3° | 145.0° |
| H13 | C13 | H14 | H15 | 120.0° | 120.0° |
| H16 | N1 | C2 | H21 | 23.4° | 0.0° |
| H19 | C1 | C2 | H21 | 141.6° | 65.0° |
| H20 | C1 | C2 | H21 | 101.1° | 175.0° |
| H22 | N4 | O9 | H24 | 179.7° | 0.0° |
