QDH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C9 | sing | 1.74Å | 1.75Å | |
| C9 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.46Å | Aromatic |
| N2 | C8 | doub | 1.33Å | 1.38Å | Aromatic |
| C19 | C12 | sing | 1.53Å | 1.58Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C8 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | N | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | C7 | doub | 1.41Å | 1.40Å | Aromatic |
| C11 | N3 | sing | 1.39Å | 1.40Å | |
| C1 | C5 | sing | 1.55Å | 1.54Å | |
| C1 | C | sing | 1.54Å | 1.52Å | |
| C5 | N | sing | 1.46Å | 1.45Å | |
| C5 | O8 | sing | 1.44Å | 1.38Å | |
| C12 | N3 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.51Å | 1.56Å | |
| C7 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.38Å | Aromatic |
| O | C | sing | 1.43Å | 1.39Å | |
| C14 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C | C2 | sing | 1.54Å | 1.53Å | |
| C13 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| O8 | C2 | sing | 1.44Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C6 | N1 | doub | 1.30Å | 1.34Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | F | sing | 1.35Å | 1.33Å | |
| C18 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | O2 | sing | 1.43Å | 1.38Å | |
| O2 | P | sing | 1.61Å | 1.58Å | |
| O7 | P | doub | 1.48Å | 1.50Å | |
| O6 | P | sing | 1.61Å | 1.58Å | |
| P | C4 | sing | 1.82Å | 1.73Å | |
| O5 | P1 | doub | 1.48Å | 1.48Å | |
| C4 | P1 | sing | 1.82Å | 1.71Å | |
| P1 | O3 | sing | 1.61Å | 1.55Å | |
| P1 | O4 | sing | 1.61Å | 1.57Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| O | H13 | sing | 0.97Å | 0.95Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| O6 | H16 | sing | 0.97Å | 0.95Å | |
| O4 | H17 | sing | 0.97Å | 0.95Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C9 | C10 | 118.9° | 119.2° |
| CL | C9 | N2 | 113.6° | 119.2° |
| C10 | C9 | N2 | 127.3° | 121.6° |
| C9 | C10 | C11 | 118.4° | 119.4° |
| C9 | C10 | H6 | 120.8° | 120.3° |
| C9 | N2 | C8 | 111.7° | 121.8° |
| C10 | C11 | C7 | 116.5° | 118.0° |
| C10 | C11 | N3 | 125.3° | 121.0° |
| C11 | C10 | H6 | 120.8° | 120.2° |
| N2 | C8 | C7 | 127.8° | 120.2° |
| N2 | C8 | N | 126.8° | 133.4° |
| C19 | C12 | N3 | 112.1° | 109.4° |
| C19 | C12 | C13 | 112.0° | 109.5° |
| C19 | C12 | H21 | 106.5° | 109.5° |
| C12 | C19 | H22 | 109.5° | 109.4° |
| C12 | C19 | H23 | 109.4° | 109.5° |
| C12 | C19 | H24 | 109.5° | 109.5° |
| O1 | C1 | C5 | 104.4° | 110.5° |
| O1 | C1 | C | 112.5° | 110.5° |
| O1 | C1 | H9 | 114.1° | 110.6° |
| C1 | O1 | H10 | 109.5° | 114.0° |
| C7 | C8 | N | 105.4° | 106.4° |
| C8 | C7 | C11 | 118.2° | 119.0° |
| C8 | C7 | C6 | 105.7° | 107.1° |
| C8 | N | C5 | 123.7° | 125.9° |
| C8 | N | N1 | 112.0° | 108.2° |
| C7 | C11 | N3 | 118.2° | 121.0° |
| C11 | C7 | C6 | 136.1° | 133.9° |
| C11 | N3 | C12 | 139.4° | 120.0° |
| C11 | N3 | H1 | 101.6° | 120.0° |
| C5 | C1 | C | 100.4° | 104.0° |
| C1 | C5 | N | 110.9° | 110.4° |
| C1 | C5 | O8 | 108.4° | 104.8° |
| C1 | C5 | H4 | 107.9° | 110.4° |
| C5 | C1 | H9 | 111.9° | 110.5° |
| C1 | C | O | 112.1° | 110.5° |
| C1 | C | C2 | 101.3° | 104.1° |
| C | C1 | H9 | 112.3° | 110.5° |
| C1 | C | H12 | 109.6° | 110.5° |
| N | C5 | O8 | 110.4° | 110.4° |
| C5 | N | N1 | 124.3° | 125.8° |
| N | C5 | H4 | 109.1° | 110.3° |
| C5 | O8 | C2 | 109.8° | 105.3° |
| O8 | C5 | H4 | 110.1° | 110.4° |
| N3 | C12 | C13 | 111.6° | 109.4° |
| C12 | N3 | H1 | 101.5° | 120.0° |
| N3 | C12 | H21 | 107.6° | 109.5° |
| C12 | C13 | C14 | 118.1° | 120.1° |
| C12 | C13 | C18 | 125.6° | 120.0° |
| C13 | C12 | H21 | 106.6° | 109.5° |
| C7 | C6 | N1 | 110.3° | 108.5° |
| C7 | C6 | H5 | 124.9° | 125.7° |
| N | N1 | C6 | 106.7° | 109.7° |
| O | C | C2 | 112.2° | 110.5° |
| O | C | H12 | 111.6° | 110.5° |
| C | O | H13 | 109.5° | 114.0° |
| C13 | C14 | C15 | 122.1° | 120.0° |
| C14 | C13 | C18 | 116.0° | 120.0° |
| C13 | C14 | H20 | 119.0° | 120.0° |
| C14 | C15 | C16 | 119.9° | 120.1° |
| C14 | C15 | H7 | 120.0° | 120.0° |
| C15 | C14 | H20 | 118.9° | 120.0° |
| C | C2 | O8 | 103.5° | 104.8° |
| C | C2 | C3 | 104.5° | 110.4° |
| C | C2 | H11 | 111.6° | 110.5° |
| C2 | C | H12 | 109.5° | 110.5° |
| C13 | C18 | F | 123.5° | 120.0° |
| C13 | C18 | C17 | 121.3° | 120.0° |
| O8 | C2 | C3 | 111.5° | 110.4° |
| O8 | C2 | H11 | 113.8° | 110.4° |
| C2 | C3 | O2 | 112.5° | 109.5° |
| C3 | C2 | H11 | 111.3° | 110.3° |
| C2 | C3 | H14 | 108.7° | 109.5° |
| C2 | C3 | H15 | 108.7° | 109.5° |
| N1 | C6 | H5 | 124.9° | 125.8° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C16 | C15 | H7 | 120.0° | 119.9° |
| C15 | C16 | H19 | 119.9° | 120.0° |
| F | C18 | C17 | 115.2° | 120.0° |
| C18 | C17 | C16 | 120.3° | 119.9° |
| C18 | C17 | H8 | 119.8° | 120.0° |
| C16 | C17 | H8 | 119.9° | 120.1° |
| C17 | C16 | H19 | 119.9° | 120.0° |
| C3 | O2 | P | 125.0° | 123.0° |
| O2 | C3 | H14 | 108.7° | 109.5° |
| O2 | C3 | H15 | 108.7° | 109.4° |
| O2 | P | O7 | 115.0° | 109.4° |
| O2 | P | O6 | 104.7° | 109.4° |
| O2 | P | C4 | 102.3° | 109.5° |
| O7 | P | O6 | 109.8° | 109.5° |
| O7 | P | C4 | 115.1° | 109.5° |
| O6 | P | C4 | 109.3° | 109.5° |
| P | O6 | H16 | 109.5° | 114.0° |
| P | C4 | P1 | 116.9° | 109.5° |
| P | C4 | H2 | 107.6° | 109.5° |
| P | C4 | H3 | 107.6° | 109.5° |
| O5 | P1 | C4 | 123.4° | 109.4° |
| O5 | P1 | O3 | 104.1° | 109.5° |
| O5 | P1 | O4 | 107.0° | 109.5° |
| C4 | P1 | O3 | 104.8° | 109.5° |
| C4 | P1 | O4 | 113.5° | 109.4° |
| P1 | C4 | H2 | 107.6° | 109.5° |
| P1 | C4 | H3 | 107.6° | 109.4° |
| O3 | P1 | O4 | 101.1° | 109.5° |
| P1 | O3 | H18 | 109.5° | 114.0° |
| P1 | O4 | H17 | 109.5° | 114.0° |
| H2 | C4 | H3 | 109.4° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H22 | C19 | H24 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C9 | C10 | N2 | 175.2° | 179.9° |
| CL | C9 | C10 | C11 | 172.8° | 180.0° |
| CL | C9 | N2 | C8 | 174.2° | 180.0° |
| CL | C9 | C10 | H6 | 7.1° | 0.1° |
| C9 | C10 | C11 | H6 | 180.0° | 179.9° |
| C10 | C9 | N2 | C8 | 1.1° | 0.1° |
| C9 | C10 | C11 | C7 | 2.1° | 0.0° |
| C9 | C10 | C11 | N3 | 178.4° | 180.0° |
| N2 | C9 | C10 | C11 | 2.3° | 0.1° |
| C9 | N2 | C8 | C7 | 0.1° | 0.0° |
| C9 | N2 | C8 | N | 179.2° | 179.9° |
| N2 | C9 | C10 | H6 | 177.7° | 180.0° |
| C10 | C11 | C7 | C8 | 1.1° | 0.1° |
| C10 | C11 | C7 | N3 | 179.5° | 180.0° |
| C10 | C11 | N3 | C12 | 9.2° | 0.0° |
| C10 | C11 | C7 | C6 | 179.6° | 180.0° |
| C10 | C11 | N3 | H1 | 132.8° | 180.0° |
| N2 | C8 | C7 | N | 179.2° | 179.9° |
| N2 | C8 | C7 | C11 | 0.1° | 0.1° |
| N2 | C8 | N | C5 | 1.3° | 0.1° |
| N2 | C8 | C7 | C6 | 179.4° | 180.0° |
| N2 | C8 | N | N1 | 179.2° | 180.0° |
| C19 | C12 | N3 | C11 | 19.9° | 86.0° |
| C19 | C12 | N3 | C13 | 126.6° | 119.9° |
| C19 | C12 | N3 | H21 | 116.8° | 120.0° |
| C19 | C12 | C13 | H21 | 116.1° | 120.1° |
| C19 | C12 | C13 | C14 | 45.9° | 92.9° |
| C19 | C12 | C13 | C18 | 128.1° | 86.7° |
| C19 | C12 | N3 | H1 | 143.5° | 94.0° |
| C12 | C19 | H22 | H23 | 120.0° | 120.0° |
| C12 | C19 | H22 | H24 | 120.0° | 120.0° |
| C12 | C19 | H23 | H24 | 120.0° | 120.0° |
| O1 | C1 | C5 | C | 116.7° | 118.7° |
| O1 | C1 | C5 | H9 | 123.9° | 122.7° |
| O1 | C1 | C | H9 | 130.4° | 122.7° |
| O1 | C1 | C5 | N | 138.3° | 98.5° |
| O1 | C1 | C5 | O8 | 100.3° | 142.6° |
| O1 | C1 | C | O | 42.8° | 0.0° |
| O1 | C1 | C | C2 | 77.1° | 118.6° |
| O1 | C1 | C5 | H4 | 18.9° | 23.8° |
| O1 | C1 | C | H12 | 167.3° | 122.7° |
| C8 | C7 | C11 | C6 | 179.4° | 179.9° |
| C8 | C7 | C11 | N3 | 179.4° | 179.9° |
| C7 | C8 | N | C5 | 179.4° | 180.0° |
| C7 | C8 | N | N1 | 0.1° | 0.0° |
| C8 | C7 | C6 | N1 | 0.4° | 0.0° |
| C8 | C7 | C6 | H5 | 179.6° | 179.9° |
| N | C8 | C7 | C11 | 179.3° | 180.0° |
| C8 | N | C5 | C1 | 105.2° | 108.1° |
| C8 | N | C5 | N1 | 179.4° | 179.9° |
| C8 | N | C5 | O8 | 134.6° | 136.4° |
| N | C8 | C7 | C6 | 0.2° | 0.0° |
| C8 | N | N1 | C6 | 0.3° | 0.0° |
| C8 | N | C5 | H4 | 13.5° | 14.2° |
| C7 | C11 | N3 | C12 | 170.3° | 180.0° |
| C11 | C7 | C6 | N1 | 179.0° | 180.0° |
| C7 | C11 | N3 | H1 | 46.7° | 0.0° |
| C11 | C7 | C6 | H5 | 1.0° | 0.0° |
| C7 | C11 | C10 | H6 | 177.9° | 179.9° |
| C11 | N3 | C12 | H1 | 123.6° | 180.0° |
| C11 | N3 | C12 | C13 | 106.6° | 154.1° |
| N3 | C11 | C7 | C6 | 0.0° | 0.0° |
| N3 | C11 | C10 | H6 | 1.6° | 0.1° |
| C11 | N3 | C12 | H21 | 136.7° | 34.1° |
| C5 | C1 | C | H9 | 119.1° | 118.6° |
| C1 | C5 | N | O8 | 120.2° | 115.4° |
| C1 | C5 | N | H4 | 118.7° | 122.3° |
| C1 | C5 | O8 | H4 | 117.8° | 118.9° |
| C1 | C5 | N | N1 | 75.4° | 71.9° |
| C5 | C1 | C | O | 153.3° | 118.6° |
| C5 | C1 | C | C2 | 33.4° | 0.0° |
| C1 | C5 | O8 | C2 | 9.7° | 40.5° |
| C5 | C1 | O1 | H10 | 180.0° | 179.9° |
| C5 | C1 | C | H12 | 82.2° | 118.7° |
| C | C1 | C5 | N | 104.9° | 142.8° |
| C | C1 | C5 | O8 | 16.4° | 24.0° |
| C1 | C | O | C2 | 113.3° | 114.7° |
| C1 | C | O | H12 | 123.4° | 122.7° |
| C1 | C | C2 | H12 | 115.7° | 118.7° |
| C1 | C | C2 | O8 | 40.9° | 24.0° |
| C1 | C | C2 | C3 | 157.7° | 142.8° |
| C | C1 | C5 | H4 | 135.6° | 94.9° |
| C | C1 | O1 | H10 | 72.0° | 65.3° |
| C1 | C | C2 | H11 | 81.9° | 94.9° |
| C1 | C | O | H13 | 180.0° | 61.4° |
| N | C5 | O8 | H4 | 120.5° | 122.2° |
| N | C5 | O8 | C2 | 131.3° | 159.4° |
| C5 | N | N1 | C6 | 179.1° | 180.0° |
| N | C5 | C1 | H9 | 14.4° | 24.2° |
| O8 | C5 | N | N1 | 44.8° | 43.5° |
| C5 | O8 | C2 | C | 31.8° | 40.5° |
| C5 | O8 | C2 | C3 | 143.6° | 159.3° |
| O8 | C5 | C1 | H9 | 135.8° | 94.7° |
| C5 | O8 | C2 | H11 | 89.5° | 78.5° |
| N3 | C12 | C13 | H21 | 117.3° | 120.0° |
| N3 | C12 | C13 | C14 | 172.5° | 27.0° |
| N3 | C12 | C13 | C18 | 1.4° | 153.3° |
| N3 | C12 | C19 | H22 | 180.0° | 60.1° |
| N3 | C12 | C19 | H23 | 60.0° | 59.9° |
| N3 | C12 | C19 | H24 | 60.0° | 180.0° |
| C12 | C13 | C14 | C18 | 174.5° | 179.7° |
| C12 | C13 | C14 | C15 | 171.1° | 179.7° |
| C12 | C13 | C18 | F | 12.6° | 0.3° |
| C12 | C13 | C18 | C17 | 169.9° | 179.7° |
| C13 | C12 | N3 | H1 | 16.9° | 25.9° |
| C12 | C13 | C14 | H20 | 8.9° | 0.3° |
| C13 | C12 | C19 | H22 | 53.7° | 180.0° |
| C13 | C12 | C19 | H23 | 173.7° | 60.0° |
| C13 | C12 | C19 | H24 | 66.3° | 60.1° |
| C7 | C6 | N1 | N | 0.5° | 0.0° |
| C7 | C6 | N1 | H5 | 180.0° | 179.9° |
| N1 | N | C5 | H4 | 165.9° | 165.8° |
| N | N1 | C6 | H5 | 179.6° | 179.9° |
| O | C | C2 | H12 | 124.5° | 122.6° |
| O | C | C2 | O8 | 160.6° | 142.7° |
| O | C | C2 | C3 | 82.6° | 98.5° |
| O | C | C1 | H9 | 87.7° | 122.7° |
| O | C | C2 | H11 | 37.8° | 23.8° |
| C13 | C14 | C15 | H20 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C14 | C13 | C18 | F | 173.3° | 180.0° |
| C14 | C13 | C18 | C17 | 4.2° | 0.0° |
| C13 | C14 | C15 | H7 | 179.5° | 180.0° |
| C14 | C13 | C12 | H21 | 70.2° | 147.0° |
| C15 | C14 | C13 | C18 | 3.5° | 0.0° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 2.0° | 0.1° |
| C14 | C15 | C16 | H19 | 178.0° | 180.0° |
| C | C2 | O8 | C3 | 111.8° | 118.8° |
| C | C2 | O8 | H11 | 121.3° | 119.0° |
| C | C2 | C3 | H11 | 120.6° | 122.4° |
| C | C2 | C3 | O2 | 178.7° | 178.2° |
| C2 | C | C1 | H9 | 152.5° | 118.7° |
| C2 | C | O | H13 | 66.7° | 176.1° |
| C | C2 | C3 | H14 | 60.9° | 58.2° |
| C | C2 | C3 | H15 | 58.2° | 61.9° |
| C13 | C18 | F | C17 | 177.6° | 180.0° |
| C13 | C18 | C17 | C16 | 2.0° | 0.0° |
| C13 | C18 | C17 | H8 | 178.0° | 180.0° |
| C18 | C13 | C14 | H20 | 176.6° | 180.0° |
| C18 | C13 | C12 | H21 | 115.8° | 33.3° |
| O8 | C2 | C3 | H11 | 128.2° | 122.2° |
| O8 | C2 | C3 | O2 | 67.5° | 66.4° |
| C2 | O8 | C5 | H4 | 108.1° | 78.4° |
| O8 | C2 | C | H12 | 74.8° | 94.7° |
| O8 | C2 | C3 | H14 | 172.0° | 173.6° |
| O8 | C2 | C3 | H15 | 52.9° | 53.5° |
| C2 | C3 | O2 | H14 | 120.5° | 120.0° |
| C2 | C3 | O2 | H15 | 120.5° | 120.0° |
| C2 | C3 | O2 | P | 144.4° | 180.0° |
| C3 | C2 | C | H12 | 42.0° | 24.1° |
| C2 | C3 | H14 | H15 | 118.6° | 120.0° |
| C15 | C16 | C17 | C18 | 1.2° | 0.0° |
| C15 | C16 | C17 | H19 | 180.0° | 180.0° |
| C15 | C16 | C17 | H8 | 178.8° | 180.0° |
| C16 | C15 | C14 | H20 | 179.5° | 180.0° |
| F | C18 | C17 | C16 | 175.7° | 180.0° |
| F | C18 | C17 | H8 | 4.3° | 0.0° |
| C18 | C17 | C16 | H8 | 180.0° | 180.0° |
| C18 | C17 | C16 | H19 | 178.8° | 180.0° |
| C17 | C16 | C15 | H7 | 178.0° | 180.0° |
| C3 | O2 | P | O7 | 47.4° | 55.0° |
| C3 | O2 | P | O6 | 168.0° | 65.0° |
| C3 | O2 | P | C4 | 78.0° | 175.0° |
| O2 | C3 | C2 | H11 | 60.7° | 55.8° |
| O2 | C3 | H14 | H15 | 118.6° | 120.0° |
| O2 | P | O7 | O6 | 117.7° | 119.9° |
| O2 | P | O7 | C4 | 118.5° | 120.0° |
| O2 | P | O6 | C4 | 108.9° | 120.0° |
| O2 | P | C4 | P1 | 44.0° | 180.0° |
| O2 | P | C4 | H2 | 165.0° | 60.0° |
| O2 | P | C4 | H3 | 77.1° | 60.0° |
| P | O2 | C3 | H14 | 24.0° | 60.0° |
| P | O2 | C3 | H15 | 95.1° | 60.0° |
| O2 | P | O6 | H16 | 123.9° | 60.1° |
| O7 | P | O6 | C4 | 127.2° | 120.0° |
| O7 | P | C4 | P1 | 169.3° | 60.0° |
| O7 | P | C4 | H2 | 69.6° | 60.0° |
| O7 | P | C4 | H3 | 48.3° | 180.0° |
| O7 | P | O6 | H16 | 0.0° | 180.0° |
| O6 | P | C4 | P1 | 66.6° | 60.0° |
| O6 | P | C4 | H2 | 54.5° | 180.0° |
| O6 | P | C4 | H3 | 172.3° | 60.0° |
| P | C4 | P1 | O5 | 41.9° | 60.0° |
| P | C4 | P1 | H2 | 121.1° | 120.0° |
| P | C4 | P1 | H3 | 121.1° | 120.0° |
| P | C4 | P1 | O3 | 76.5° | 60.0° |
| P | C4 | P1 | O4 | 174.0° | 180.0° |
| P | C4 | H2 | H3 | 116.6° | 120.0° |
| C4 | P | O6 | H16 | 127.1° | 60.0° |
| O5 | P1 | C4 | O3 | 118.5° | 120.0° |
| O5 | P1 | C4 | O4 | 132.1° | 120.0° |
| O5 | P1 | O3 | O4 | 110.9° | 120.1° |
| O5 | P1 | C4 | H2 | 163.0° | 60.0° |
| O5 | P1 | C4 | H3 | 79.2° | 180.0° |
| O5 | P1 | O4 | H17 | 0.0° | 60.1° |
| O5 | P1 | O3 | H18 | 0.0° | 180.0° |
| C4 | P1 | O3 | O4 | 118.2° | 120.0° |
| P1 | C4 | H2 | H3 | 116.6° | 120.0° |
| C4 | P1 | O4 | H17 | 139.6° | 180.0° |
| C4 | P1 | O3 | H18 | 130.8° | 60.1° |
| O3 | P1 | C4 | H2 | 44.6° | 180.0° |
| O3 | P1 | C4 | H3 | 162.4° | 60.0° |
| O3 | P1 | O4 | H17 | 108.7° | 60.0° |
| O4 | P1 | C4 | H2 | 64.9° | 60.0° |
| O4 | P1 | C4 | H3 | 52.9° | 60.0° |
| O4 | P1 | O3 | H18 | 110.9° | 59.9° |
| H1 | N3 | C12 | H21 | 99.7° | 145.9° |
| H4 | C5 | C1 | H9 | 105.0° | 146.5° |
| H7 | C15 | C16 | H19 | 2.0° | 0.0° |
| H7 | C15 | C14 | H20 | 0.5° | 0.0° |
| H8 | C17 | C16 | H19 | 1.2° | 0.0° |
| H9 | C1 | O1 | H10 | 57.5° | 57.4° |
| H9 | C1 | C | H12 | 36.8° | 0.0° |
| H11 | C2 | C | H12 | 162.4° | 146.4° |
| H11 | C2 | C3 | H14 | 59.7° | 64.2° |
| H11 | C2 | C3 | H15 | 178.8° | 175.7° |
| H12 | C | O | H13 | 56.6° | 61.3° |
| H21 | C12 | C19 | H22 | 62.5° | 59.9° |
| H21 | C12 | C19 | H23 | 57.5° | 180.0° |
| H21 | C12 | C19 | H24 | 177.5° | 60.0° |
| H22 | C19 | H23 | H24 | 120.0° | 120.0° |
