CPD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.61Å | |
| C1 | CL1 | sing | 1.80Å | 1.73Å | |
| C1 | CL2 | sing | 1.80Å | 1.74Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C2 | N1 | sing | 1.35Å | 1.31Å | |
| C2 | O1 | doub | 1.21Å | 1.25Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | N1 | sing | 1.46Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | O2 | sing | 1.43Å | 1.40Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.51Å | 1.46Å | |
| C5 | O5 | sing | 1.43Å | 1.39Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | doub | 1.38Å | 1.45Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.44Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C11 | doub | 1.38Å | 1.45Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | sing | 1.38Å | 1.44Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | N2 | sing | 1.48Å | 1.55Å | |
| C12 | C13 | sing | 1.51Å | 1.44Å | |
| C12 | P | sing | 1.82Å | 1.87Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | doub | 1.38Å | 1.44Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.44Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C18 | doub | 1.39Å | 1.45Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.39Å | 1.45Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | N3 | sing | 1.40Å | 1.48Å | |
| C19 | C20 | sing | 1.51Å | 1.60Å | |
| C19 | N3 | sing | 1.35Å | 1.36Å | |
| C19 | O8 | doub | 1.21Å | 1.22Å | |
| C20 | F1 | sing | 1.40Å | 1.32Å | |
| C20 | F2 | sing | 1.40Å | 1.33Å | |
| C20 | F3 | sing | 1.40Å | 1.31Å | |
| C21 | N4 | sing | 1.35Å | 1.40Å | |
| C21 | N5 | sing | 1.35Å | 1.45Å | |
| C21 | O7 | doub | 1.22Å | 1.28Å | |
| C22 | C23 | sing | 1.53Å | 1.46Å | |
| C22 | N5 | sing | 1.47Å | 1.56Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| C24 | N4 | sing | 1.47Å | 1.49Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | N6 | sing | 1.47Å | 1.49Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | N6 | sing | 1.47Å | 1.44Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å | |
| C28 | N6 | sing | 1.47Å | 1.45Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N2 | O3 | sing | 1.22Å | 1.21Å | |
| N2 | O4 | doub | 1.22Å | 1.21Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| N4 | P | sing | 1.64Å | 1.59Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O5 | P | sing | 1.61Å | 1.58Å | |
| O6 | P | doub | 1.48Å | 1.48Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | CL1 | 105.1° | 109.5° |
| C2 | C1 | CL2 | 103.4° | 109.5° |
| C2 | C1 | H1 | 118.0° | 109.5° |
| C1 | C2 | N1 | 118.8° | 120.0° |
| C1 | C2 | O1 | 122.2° | 120.0° |
| CL1 | C1 | CL2 | 114.9° | 109.5° |
| CL1 | C1 | H1 | 107.1° | 109.4° |
| CL2 | C1 | H1 | 108.7° | 109.5° |
| N1 | C2 | O1 | 118.8° | 120.0° |
| C2 | N1 | C3 | 135.6° | 120.0° |
| C2 | N1 | HN1 | 105.5° | 120.0° |
| C4 | C3 | C5 | 106.9° | 109.5° |
| C4 | C3 | N1 | 100.6° | 109.5° |
| C4 | C3 | H3 | 114.8° | 109.5° |
| C3 | C4 | O2 | 98.1° | 109.5° |
| C3 | C4 | H41 | 116.6° | 109.4° |
| C3 | C4 | H42 | 116.6° | 109.4° |
| C5 | C3 | N1 | 103.8° | 109.4° |
| C5 | C3 | H3 | 112.0° | 109.5° |
| C3 | C5 | C6 | 115.9° | 109.5° |
| C3 | C5 | O5 | 106.4° | 109.4° |
| C3 | C5 | H5 | 109.2° | 109.5° |
| N1 | C3 | H3 | 117.4° | 109.4° |
| C3 | N1 | HN1 | 118.9° | 120.0° |
| O2 | C4 | H41 | 116.6° | 109.5° |
| O2 | C4 | H42 | 116.6° | 109.5° |
| C4 | O2 | HO2 | 98.1° | 106.8° |
| H41 | C4 | H42 | 93.8° | 109.5° |
| C6 | C5 | O5 | 114.7° | 109.6° |
| C6 | C5 | H5 | 99.7° | 109.5° |
| C5 | C6 | C7 | 120.3° | 120.0° |
| C5 | C6 | C8 | 119.9° | 120.0° |
| O5 | C5 | H5 | 110.7° | 109.4° |
| C5 | O5 | P | 129.0° | 106.8° |
| C7 | C6 | C8 | 119.7° | 120.0° |
| C6 | C7 | C9 | 120.2° | 120.0° |
| C6 | C7 | H7 | 120.9° | 120.1° |
| C6 | C8 | C10 | 120.2° | 120.0° |
| C6 | C8 | H8 | 121.0° | 120.0° |
| C9 | C7 | H7 | 118.9° | 120.0° |
| C7 | C9 | C11 | 118.9° | 120.0° |
| C7 | C9 | H9 | 119.8° | 120.0° |
| C10 | C8 | H8 | 118.8° | 120.0° |
| C8 | C10 | C11 | 120.0° | 120.0° |
| C8 | C10 | H10 | 119.1° | 120.0° |
| C11 | C9 | H9 | 121.2° | 120.0° |
| C9 | C11 | C10 | 120.9° | 120.0° |
| C9 | C11 | N2 | 120.5° | 120.0° |
| C11 | C10 | H10 | 120.9° | 120.0° |
| C10 | C11 | N2 | 118.6° | 120.0° |
| C11 | N2 | O3 | 117.6° | 120.0° |
| C11 | N2 | O4 | 116.7° | 120.0° |
| C13 | C12 | P | 113.9° | 109.5° |
| C13 | C12 | H121 | 110.6° | 109.5° |
| C13 | C12 | H122 | 110.6° | 109.4° |
| C12 | C13 | C14 | 122.2° | 119.9° |
| C12 | C13 | C15 | 117.4° | 119.9° |
| P | C12 | H121 | 110.6° | 109.5° |
| P | C12 | H122 | 110.6° | 109.5° |
| C12 | P | N4 | 106.4° | 109.5° |
| C12 | P | O5 | 105.6° | 109.5° |
| C12 | P | O6 | 117.3° | 109.5° |
| H121 | C12 | H122 | 99.7° | 109.5° |
| C14 | C13 | C15 | 120.0° | 120.2° |
| C13 | C14 | C16 | 119.8° | 120.0° |
| C13 | C14 | H14 | 121.1° | 120.0° |
| C13 | C15 | C17 | 120.0° | 120.1° |
| C13 | C15 | H15 | 121.0° | 119.9° |
| C16 | C14 | H14 | 119.1° | 120.0° |
| C14 | C16 | C18 | 120.6° | 120.0° |
| C14 | C16 | H16 | 118.7° | 120.0° |
| C17 | C15 | H15 | 119.0° | 120.0° |
| C15 | C17 | C18 | 120.3° | 119.9° |
| C15 | C17 | H17 | 118.6° | 120.0° |
| C18 | C16 | H16 | 120.7° | 120.0° |
| C16 | C18 | C17 | 119.2° | 119.8° |
| C16 | C18 | N3 | 119.0° | 120.1° |
| C18 | C17 | H17 | 121.1° | 120.0° |
| C17 | C18 | N3 | 121.7° | 120.1° |
| C18 | N3 | C19 | 126.3° | 120.0° |
| C18 | N3 | HN3 | 121.5° | 120.0° |
| C20 | C19 | N3 | 117.5° | 120.0° |
| C20 | C19 | O8 | 119.0° | 120.0° |
| C19 | C20 | F1 | 102.8° | 109.4° |
| C19 | C20 | F2 | 105.9° | 109.5° |
| C19 | C20 | F3 | 106.0° | 109.5° |
| N3 | C19 | O8 | 123.5° | 120.0° |
| C19 | N3 | HN3 | 112.2° | 120.0° |
| F1 | C20 | F2 | 113.8° | 109.5° |
| F1 | C20 | F3 | 112.8° | 109.4° |
| F2 | C20 | F3 | 114.2° | 109.5° |
| N4 | C21 | N5 | 119.7° | 120.0° |
| N4 | C21 | O7 | 116.0° | 120.0° |
| C21 | N4 | C24 | 111.3° | 120.0° |
| C21 | N4 | P | 123.4° | 120.0° |
| N5 | C21 | O7 | 122.4° | 120.0° |
| C21 | N5 | C22 | 116.2° | 120.0° |
| C21 | N5 | HN5 | 118.6° | 120.1° |
| C23 | C22 | N5 | 111.9° | 109.5° |
| C23 | C22 | H221 | 111.3° | 109.5° |
| C23 | C22 | H222 | 111.3° | 109.5° |
| C22 | C23 | H231 | 111.9° | 109.5° |
| C22 | C23 | H232 | 111.3° | 109.5° |
| C22 | C23 | H233 | 111.3° | 109.5° |
| N5 | C22 | H221 | 111.3° | 109.5° |
| N5 | C22 | H222 | 111.4° | 109.5° |
| C22 | N5 | HN5 | 125.2° | 119.9° |
| H221 | C22 | H222 | 99.1° | 109.4° |
| H231 | C23 | H232 | 111.3° | 109.5° |
| H231 | C23 | H233 | 111.3° | 109.5° |
| H232 | C23 | H233 | 99.1° | 109.5° |
| C25 | C24 | N4 | 117.4° | 109.4° |
| C25 | C24 | H241 | 109.4° | 109.5° |
| C25 | C24 | H242 | 109.4° | 109.4° |
| C24 | C25 | C26 | 98.9° | 109.4° |
| C24 | C25 | H251 | 116.3° | 109.6° |
| C24 | C25 | H252 | 116.3° | 109.4° |
| N4 | C24 | H241 | 109.3° | 109.5° |
| N4 | C24 | H242 | 109.3° | 109.5° |
| C24 | N4 | P | 98.4° | 120.0° |
| H241 | C24 | H242 | 100.8° | 109.5° |
| C26 | C25 | H251 | 116.3° | 109.4° |
| C26 | C25 | H252 | 116.3° | 109.4° |
| C25 | C26 | N6 | 118.4° | 109.5° |
| C25 | C26 | H261 | 109.0° | 109.5° |
| C25 | C26 | H262 | 109.0° | 109.4° |
| H251 | C25 | H252 | 94.1° | 109.5° |
| N6 | C26 | H261 | 109.0° | 109.5° |
| N6 | C26 | H262 | 109.0° | 109.5° |
| C26 | N6 | C27 | 109.2° | 106.7° |
| C26 | N6 | C28 | 111.0° | 106.7° |
| H261 | C26 | H262 | 101.1° | 109.5° |
| N6 | C27 | H271 | 109.2° | 109.5° |
| N6 | C27 | H272 | 112.3° | 109.5° |
| N6 | C27 | H273 | 112.3° | 109.4° |
| C27 | N6 | C28 | 126.4° | 106.7° |
| H271 | C27 | H272 | 112.3° | 109.5° |
| H271 | C27 | H273 | 112.4° | 109.5° |
| H272 | C27 | H273 | 98.1° | 109.4° |
| N6 | C28 | H281 | 111.0° | 109.5° |
| N6 | C28 | H282 | 111.7° | 109.4° |
| N6 | C28 | H283 | 111.7° | 109.5° |
| H281 | C28 | H282 | 111.7° | 109.5° |
| H281 | C28 | H283 | 111.7° | 109.5° |
| H282 | C28 | H283 | 98.6° | 109.5° |
| O3 | N2 | O4 | 125.7° | 120.0° |
| N4 | P | O5 | 115.8° | 109.5° |
| N4 | P | O6 | 113.8° | 109.5° |
| O5 | P | O6 | 97.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | CL1 | CL2 | 112.9° | 120.0° |
| C2 | C1 | CL1 | H1 | 126.3° | 120.0° |
| C2 | C1 | CL2 | H1 | 126.1° | 120.0° |
| C1 | C2 | N1 | O1 | 174.8° | 179.9° |
| C1 | C2 | N1 | C3 | 173.0° | 180.0° |
| C1 | C2 | N1 | HN1 | 7.0° | 0.0° |
| CL1 | C1 | CL2 | H1 | 120.0° | 120.0° |
| CL1 | C1 | C2 | N1 | 124.7° | 60.0° |
| CL1 | C1 | C2 | O1 | 60.7° | 120.1° |
| CL2 | C1 | C2 | N1 | 114.5° | 180.0° |
| CL2 | C1 | C2 | O1 | 60.0° | 0.1° |
| H1 | C1 | C2 | N1 | 5.4° | 60.0° |
| H1 | C1 | C2 | O1 | 180.0° | 120.0° |
| C2 | N1 | C3 | C4 | 137.7° | 150.0° |
| C2 | N1 | C3 | C5 | 111.8° | 90.0° |
| C2 | N1 | C3 | HN1 | 180.0° | 180.0° |
| C2 | N1 | C3 | H3 | 12.4° | 30.0° |
| O1 | C2 | N1 | C3 | 1.8° | 0.1° |
| O1 | C2 | N1 | HN1 | 178.3° | 179.9° |
| C4 | C3 | C5 | N1 | 105.8° | 120.0° |
| C4 | C3 | C5 | H3 | 126.5° | 120.0° |
| C4 | C3 | N1 | H3 | 125.2° | 120.0° |
| C3 | C4 | O2 | H41 | 125.3° | 120.0° |
| C3 | C4 | O2 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H42 | 122.3° | 119.9° |
| C4 | C3 | C5 | C6 | 175.6° | 180.0° |
| C4 | C3 | C5 | O5 | 46.8° | 59.9° |
| C4 | C3 | C5 | H5 | 72.7° | 59.9° |
| C4 | C3 | N1 | HN1 | 42.4° | 30.0° |
| C3 | C4 | O2 | HO2 | 180.0° | 180.0° |
| C5 | C3 | N1 | H3 | 124.2° | 120.0° |
| C5 | C3 | C4 | O2 | 126.9° | 60.0° |
| C5 | C3 | C4 | H41 | 1.6° | 60.0° |
| C5 | C3 | C4 | H42 | 107.9° | 180.0° |
| C3 | C5 | C6 | O5 | 124.7° | 120.0° |
| C3 | C5 | C6 | H5 | 117.1° | 120.0° |
| C3 | C5 | O5 | H5 | 118.5° | 119.9° |
| C3 | C5 | C6 | C7 | 71.4° | 90.0° |
| C3 | C5 | C6 | C8 | 106.0° | 89.8° |
| C5 | C3 | N1 | HN1 | 68.1° | 90.0° |
| C3 | C5 | O5 | P | 120.5° | 120.0° |
| N1 | C3 | C4 | O2 | 125.0° | 180.0° |
| N1 | C3 | C4 | H41 | 109.7° | 60.0° |
| N1 | C3 | C4 | H42 | 0.3° | 60.0° |
| N1 | C3 | C5 | C6 | 78.5° | 60.0° |
| N1 | C3 | C5 | O5 | 152.6° | 180.0° |
| N1 | C3 | C5 | H5 | 33.1° | 60.1° |
| H3 | C3 | C4 | O2 | 2.0° | 60.0° |
| H3 | C3 | C4 | H41 | 123.3° | 180.0° |
| H3 | C3 | C4 | H42 | 127.3° | 60.0° |
| H3 | C3 | C5 | C6 | 49.1° | 60.0° |
| H3 | C3 | C5 | O5 | 79.8° | 60.1° |
| H3 | C3 | C5 | H5 | 160.7° | 179.9° |
| H3 | C3 | N1 | HN1 | 167.6° | 150.0° |
| O2 | C4 | H41 | H42 | 122.4° | 120.0° |
| H41 | C4 | O2 | HO2 | 54.8° | 60.0° |
| H42 | C4 | O2 | HO2 | 54.7° | 60.0° |
| C6 | C5 | O5 | H5 | 111.9° | 120.1° |
| C5 | C6 | C7 | C8 | 177.4° | 179.8° |
| C5 | C6 | C7 | C9 | 177.2° | 180.0° |
| C5 | C6 | C7 | H7 | 2.8° | 0.0° |
| C5 | C6 | C8 | C10 | 177.3° | 179.8° |
| C5 | C6 | C8 | H8 | 2.7° | 0.1° |
| C6 | C5 | O5 | P | 109.9° | 120.0° |
| O5 | C5 | C6 | C7 | 53.3° | 30.0° |
| O5 | C5 | C6 | C8 | 129.3° | 150.2° |
| C5 | O5 | P | C12 | 66.8° | 60.1° |
| C5 | O5 | P | N4 | 50.7° | 180.0° |
| C5 | O5 | P | O6 | 171.9° | 59.9° |
| H5 | C5 | C6 | C7 | 171.6° | 149.9° |
| H5 | C5 | C6 | C8 | 11.1° | 30.2° |
| H5 | C5 | O5 | P | 2.0° | 0.1° |
| C6 | C7 | C9 | H7 | 180.0° | 180.0° |
| C7 | C6 | C8 | C10 | 0.1° | 0.4° |
| C7 | C6 | C8 | H8 | 179.9° | 179.9° |
| C6 | C7 | C9 | C11 | 0.2° | 0.0° |
| C6 | C7 | C9 | H9 | 179.8° | 180.0° |
| C8 | C6 | C7 | C9 | 0.2° | 0.2° |
| C8 | C6 | C7 | H7 | 179.8° | 179.8° |
| C6 | C8 | C10 | H8 | 180.0° | 179.6° |
| C6 | C8 | C10 | C11 | 0.1° | 0.4° |
| C6 | C8 | C10 | H10 | 179.9° | 179.7° |
| C7 | C9 | C11 | H9 | 180.0° | 180.0° |
| C7 | C9 | C11 | C10 | 0.3° | 0.0° |
| C7 | C9 | C11 | N2 | 177.7° | 180.0° |
| H7 | C7 | C9 | C11 | 179.7° | 180.0° |
| H7 | C7 | C9 | H9 | 0.3° | 0.0° |
| C8 | C10 | C11 | C9 | 0.2° | 0.2° |
| C8 | C10 | C11 | H10 | 180.0° | 179.8° |
| C8 | C10 | C11 | N2 | 177.8° | 179.9° |
| H8 | C8 | C10 | C11 | 179.9° | 180.0° |
| H8 | C8 | C10 | H10 | 0.1° | 0.1° |
| C9 | C11 | C10 | N2 | 178.0° | 179.9° |
| C9 | C11 | C10 | H10 | 179.8° | 179.9° |
| C9 | C11 | N2 | O3 | 3.0° | 180.0° |
| C9 | C11 | N2 | O4 | 177.8° | 0.0° |
| H9 | C9 | C11 | C10 | 179.7° | 180.0° |
| H9 | C9 | C11 | N2 | 2.3° | 0.1° |
| C10 | C11 | N2 | O3 | 175.0° | 0.1° |
| C10 | C11 | N2 | O4 | 4.2° | 179.9° |
| H10 | C10 | C11 | N2 | 2.1° | 0.0° |
| C11 | N2 | O3 | O4 | 179.1° | 180.0° |
| C13 | C12 | P | H121 | 125.3° | 120.0° |
| C13 | C12 | P | H122 | 125.3° | 120.0° |
| C13 | C12 | H121 | H122 | 116.4° | 120.0° |
| C12 | C13 | C14 | C15 | 172.4° | 179.7° |
| C12 | C13 | C14 | C16 | 171.3° | 180.0° |
| C12 | C13 | C14 | H14 | 8.6° | 0.1° |
| C12 | C13 | C15 | C17 | 171.7° | 179.7° |
| C12 | C13 | C15 | H15 | 8.3° | 0.2° |
| C13 | C12 | P | N4 | 176.8° | 66.1° |
| C13 | C12 | P | O5 | 53.2° | 173.9° |
| C13 | C12 | P | O6 | 54.5° | 53.9° |
| P | C12 | H121 | H122 | 116.4° | 120.0° |
| P | C12 | C13 | C14 | 40.3° | 94.1° |
| P | C12 | C13 | C15 | 132.3° | 86.2° |
| C12 | P | N4 | C21 | 31.9° | 68.5° |
| C12 | P | N4 | C24 | 90.6° | 111.5° |
| C12 | P | N4 | O5 | 117.0° | 120.0° |
| C12 | P | N4 | O6 | 130.8° | 120.0° |
| C12 | P | O5 | O6 | 121.3° | 120.0° |
| H121 | C12 | C13 | C14 | 85.0° | 25.9° |
| H121 | C12 | C13 | C15 | 102.4° | 153.8° |
| H121 | C12 | P | N4 | 58.0° | 173.9° |
| H121 | C12 | P | O5 | 178.5° | 53.9° |
| H121 | C12 | P | O6 | 70.8° | 66.1° |
| H122 | C12 | C13 | C14 | 165.6° | 145.9° |
| H122 | C12 | C13 | C15 | 7.0° | 33.8° |
| H122 | C12 | P | N4 | 51.5° | 53.9° |
| H122 | C12 | P | O5 | 72.0° | 66.1° |
| H122 | C12 | P | O6 | 179.8° | 173.9° |
| C13 | C14 | C16 | H14 | 180.0° | 180.0° |
| C14 | C13 | C15 | C17 | 1.1° | 0.6° |
| C14 | C13 | C15 | H15 | 178.9° | 179.9° |
| C13 | C14 | C16 | C18 | 0.1° | 0.0° |
| C13 | C14 | C16 | H16 | 179.9° | 180.0° |
| C15 | C13 | C14 | C16 | 1.1° | 0.3° |
| C15 | C13 | C14 | H14 | 179.0° | 179.7° |
| C13 | C15 | C17 | H15 | 180.0° | 179.5° |
| C13 | C15 | C17 | C18 | 0.1° | 0.6° |
| C13 | C15 | C17 | H17 | 179.9° | 179.8° |
| C14 | C16 | C18 | H16 | 180.0° | 180.0° |
| C14 | C16 | C18 | C17 | 0.9° | 0.1° |
| C14 | C16 | C18 | N3 | 175.7° | 180.0° |
| H14 | C14 | C16 | C18 | 179.9° | 180.0° |
| H14 | C14 | C16 | H16 | 0.1° | 0.0° |
| C15 | C17 | C18 | C16 | 0.9° | 0.4° |
| C15 | C17 | C18 | H17 | 180.0° | 179.6° |
| C15 | C17 | C18 | N3 | 175.7° | 179.7° |
| H15 | C15 | C17 | C18 | 179.9° | 179.9° |
| H15 | C15 | C17 | H17 | 0.1° | 0.3° |
| C16 | C18 | C17 | N3 | 176.5° | 179.9° |
| C16 | C18 | C17 | H17 | 179.1° | 180.0° |
| C16 | C18 | N3 | C19 | 179.9° | 33.1° |
| C16 | C18 | N3 | HN3 | 0.1° | 146.9° |
| H16 | C16 | C18 | C17 | 179.2° | 179.9° |
| H16 | C16 | C18 | N3 | 4.2° | 0.0° |
| C17 | C18 | N3 | C19 | 3.4° | 147.0° |
| C17 | C18 | N3 | HN3 | 176.6° | 33.0° |
| H17 | C17 | C18 | N3 | 4.4° | 0.1° |
| C18 | N3 | C19 | C20 | 179.1° | 174.4° |
| C18 | N3 | C19 | HN3 | 180.0° | 180.0° |
| C18 | N3 | C19 | O8 | 3.1° | 5.6° |
| C20 | C19 | N3 | O8 | 177.9° | 180.0° |
| C19 | C20 | F1 | F2 | 114.1° | 120.0° |
| C19 | C20 | F1 | F3 | 113.8° | 120.0° |
| C19 | C20 | F2 | F3 | 116.3° | 120.0° |
| C20 | C19 | N3 | HN3 | 1.0° | 5.7° |
| N3 | C19 | C20 | F1 | 117.4° | 180.0° |
| N3 | C19 | C20 | F2 | 123.0° | 60.0° |
| N3 | C19 | C20 | F3 | 1.3° | 60.0° |
| O8 | C19 | C20 | F1 | 64.7° | 0.0° |
| O8 | C19 | C20 | F2 | 55.0° | 120.0° |
| O8 | C19 | C20 | F3 | 176.7° | 120.0° |
| O8 | C19 | N3 | HN3 | 176.9° | 174.3° |
| F1 | C20 | F2 | F3 | 131.5° | 120.0° |
| N4 | C21 | N5 | O7 | 163.6° | 180.0° |
| N4 | C21 | N5 | C22 | 141.8° | 175.0° |
| C21 | N4 | C24 | C25 | 115.4° | 90.0° |
| C21 | N4 | C24 | P | 130.9° | 180.0° |
| C21 | N4 | C24 | H241 | 9.8° | 150.0° |
| C21 | N4 | C24 | H242 | 119.3° | 30.0° |
| N4 | C21 | N5 | HN5 | 38.2° | 5.0° |
| C21 | N4 | P | O5 | 85.1° | 51.5° |
| C21 | N4 | P | O6 | 162.7° | 171.5° |
| C21 | N5 | C22 | C23 | 140.7° | 180.0° |
| C21 | N5 | C22 | HN5 | 180.0° | 180.0° |
| C21 | N5 | C22 | H221 | 15.5° | 60.0° |
| C21 | N5 | C22 | H222 | 94.0° | 60.0° |
| N5 | C21 | N4 | C24 | 45.5° | 4.9° |
| N5 | C21 | N4 | P | 161.9° | 175.1° |
| O7 | C21 | N5 | C22 | 54.6° | 5.0° |
| O7 | C21 | N4 | C24 | 149.8° | 175.1° |
| O7 | C21 | N4 | P | 33.4° | 4.9° |
| O7 | C21 | N5 | HN5 | 125.4° | 175.0° |
| C23 | C22 | N5 | H221 | 125.2° | 120.0° |
| C23 | C22 | N5 | H222 | 125.3° | 120.0° |
| C23 | C22 | H221 | H222 | 117.2° | 120.0° |
| C22 | C23 | H231 | H232 | 125.2° | 120.0° |
| C22 | C23 | H231 | H233 | 125.3° | 120.0° |
| C22 | C23 | H232 | H233 | 117.2° | 120.0° |
| C23 | C22 | N5 | HN5 | 39.3° | 0.0° |
| N5 | C22 | H221 | H222 | 117.3° | 120.0° |
| N5 | C22 | C23 | H231 | 180.0° | 180.0° |
| N5 | C22 | C23 | H232 | 54.8° | 60.0° |
| N5 | C22 | C23 | H233 | 54.7° | 60.0° |
| H221 | C22 | C23 | H231 | 54.7° | 60.0° |
| H221 | C22 | C23 | H232 | 70.5° | 60.0° |
| H221 | C22 | C23 | H233 | 180.0° | 179.9° |
| H221 | C22 | N5 | HN5 | 164.5° | 120.0° |
| H222 | C22 | C23 | H231 | 54.7° | 60.0° |
| H222 | C22 | C23 | H232 | 179.9° | 180.0° |
| H222 | C22 | C23 | H233 | 70.6° | 60.0° |
| H222 | C22 | N5 | HN5 | 86.0° | 120.0° |
| H231 | C23 | H232 | H233 | 117.2° | 120.0° |
| C25 | C24 | N4 | H241 | 125.3° | 120.0° |
| C25 | C24 | N4 | H242 | 125.3° | 120.0° |
| C25 | C24 | H241 | H242 | 115.1° | 120.0° |
| C24 | C25 | C26 | H251 | 125.3° | 120.1° |
| C24 | C25 | C26 | H252 | 125.3° | 119.9° |
| C24 | C25 | H251 | H252 | 122.0° | 120.0° |
| C24 | C25 | C26 | N6 | 126.8° | 180.0° |
| C24 | C25 | C26 | H261 | 107.9° | 60.0° |
| C24 | C25 | C26 | H262 | 1.6° | 60.1° |
| C25 | C24 | N4 | P | 113.7° | 90.0° |
| N4 | C24 | H241 | H242 | 115.0° | 120.0° |
| N4 | C24 | C25 | C26 | 166.9° | 180.0° |
| N4 | C24 | C25 | H251 | 67.9° | 60.0° |
| N4 | C24 | C25 | H252 | 41.6° | 60.0° |
| C24 | N4 | P | O5 | 152.4° | 128.6° |
| C24 | N4 | P | O6 | 40.2° | 8.5° |
| H241 | C24 | C25 | C26 | 67.9° | 60.0° |
| H241 | C24 | C25 | H251 | 57.4° | 180.0° |
| H241 | C24 | C25 | H252 | 166.8° | 59.9° |
| H241 | C24 | N4 | P | 121.1° | 30.0° |
| H242 | C24 | C25 | C26 | 41.6° | 60.0° |
| H242 | C24 | C25 | H251 | 166.9° | 60.0° |
| H242 | C24 | C25 | H252 | 83.7° | 180.0° |
| H242 | C24 | N4 | P | 11.6° | 150.0° |
| C26 | C25 | H251 | H252 | 122.1° | 120.0° |
| C25 | C26 | N6 | H261 | 125.3° | 120.0° |
| C25 | C26 | N6 | H262 | 125.2° | 119.9° |
| C25 | C26 | H261 | H262 | 114.7° | 120.0° |
| C25 | C26 | N6 | C27 | 81.7° | 180.0° |
| C25 | C26 | N6 | C28 | 62.2° | 66.2° |
| H251 | C25 | C26 | N6 | 1.6° | 60.0° |
| H251 | C25 | C26 | H261 | 126.8° | 180.0° |
| H251 | C25 | C26 | H262 | 123.7° | 60.0° |
| H252 | C25 | C26 | N6 | 107.9° | 60.0° |
| H252 | C25 | C26 | H261 | 17.4° | 60.0° |
| H252 | C25 | C26 | H262 | 126.9° | 180.0° |
| N6 | C26 | H261 | H262 | 114.7° | 120.0° |
| C26 | N6 | C27 | C28 | 136.7° | 113.8° |
| C26 | N6 | C27 | H271 | 180.0° | 180.0° |
| C26 | N6 | C27 | H272 | 54.7° | 60.0° |
| C26 | N6 | C27 | H273 | 54.7° | 60.0° |
| C26 | N6 | C28 | H281 | 180.0° | 180.0° |
| C26 | N6 | C28 | H282 | 54.7° | 60.0° |
| C26 | N6 | C28 | H283 | 54.7° | 60.0° |
| H261 | C26 | N6 | C27 | 43.6° | 60.0° |
| H261 | C26 | N6 | C28 | 172.6° | 173.8° |
| H262 | C26 | N6 | C27 | 153.1° | 60.0° |
| H262 | C26 | N6 | C28 | 63.1° | 53.8° |
| N6 | C27 | H271 | H272 | 125.2° | 120.0° |
| N6 | C27 | H271 | H273 | 125.3° | 120.0° |
| N6 | C27 | H272 | H273 | 118.2° | 119.9° |
| C27 | N6 | C28 | H281 | 43.9° | 66.2° |
| C27 | N6 | C28 | H282 | 169.2° | 53.8° |
| C27 | N6 | C28 | H283 | 81.4° | 173.8° |
| H271 | C27 | H272 | H273 | 118.3° | 120.0° |
| H271 | C27 | N6 | C28 | 43.3° | 66.2° |
| H272 | C27 | N6 | C28 | 82.0° | 173.8° |
| H273 | C27 | N6 | C28 | 168.6° | 53.8° |
| N6 | C28 | H281 | H282 | 125.3° | 119.9° |
| N6 | C28 | H281 | H283 | 125.3° | 120.0° |
| N6 | C28 | H282 | H283 | 117.6° | 120.0° |
| H281 | C28 | H282 | H283 | 117.5° | 120.1° |
| N4 | P | O5 | O6 | 121.2° | 120.0° |
