PWB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N4 | doub | 1.32Å | 1.31Å | Aromatic |
| C10 | N5 | sing | 1.32Å | 1.31Å | Aromatic |
| N4 | C13 | sing | 1.32Å | 1.32Å | Aromatic |
| N5 | C11 | doub | 1.33Å | 1.33Å | Aromatic |
| C13 | N10 | sing | 1.40Å | 1.46Å | |
| C13 | C12 | doub | 1.40Å | 1.47Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.45Å | Aromatic |
| C11 | N6 | sing | 1.37Å | 1.31Å | Aromatic |
| C12 | N7 | sing | 1.36Å | 1.32Å | Aromatic |
| F1 | C16 | sing | 1.40Å | 1.34Å | |
| N6 | C17 | sing | 1.46Å | 1.47Å | |
| N6 | C14 | sing | 1.36Å | 1.33Å | Aromatic |
| C17 | C16 | sing | 1.54Å | 1.50Å | |
| C17 | O5 | sing | 1.43Å | 1.38Å | |
| C16 | C15 | sing | 1.54Å | 1.50Å | |
| N7 | C14 | doub | 1.30Å | 1.33Å | Aromatic |
| O5 | C18 | sing | 1.43Å | 1.42Å | |
| O | P | doub | 1.48Å | 1.40Å | |
| C15 | C18 | sing | 1.54Å | 1.50Å | |
| C15 | O7 | sing | 1.43Å | 1.41Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| O7 | P | sing | 1.61Å | 1.56Å | |
| P | S1 | sing | 2.12Å | 2.02Å | |
| P | O2 | sing | 1.61Å | 1.55Å | |
| N11 | C3 | sing | 1.40Å | 1.47Å | |
| C19 | O8 | sing | 1.43Å | 1.39Å | |
| N3 | C2 | sing | 1.36Å | 1.32Å | Aromatic |
| N3 | C4 | doub | 1.30Å | 1.32Å | Aromatic |
| O8 | P1 | sing | 1.61Å | 1.55Å | |
| O2 | C9 | sing | 1.43Å | 1.40Å | |
| C3 | C2 | doub | 1.40Å | 1.47Å | Aromatic |
| C3 | N | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.44Å | Aromatic |
| C4 | N2 | sing | 1.36Å | 1.32Å | Aromatic |
| N | C | doub | 1.32Å | 1.32Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| O22 | P1 | doub | 1.48Å | 1.43Å | |
| P1 | O4 | sing | 1.61Å | 1.49Å | |
| P1 | O10 | sing | 1.61Å | 1.56Å | |
| C1 | N2 | sing | 1.37Å | 1.31Å | Aromatic |
| C1 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| N2 | C7 | sing | 1.47Å | 1.47Å | |
| C5 | O10 | sing | 1.43Å | 1.42Å | |
| C5 | C8 | sing | 1.54Å | 1.50Å | |
| C5 | C6 | sing | 1.54Å | 1.50Å | |
| C | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| C8 | O1 | sing | 1.43Å | 1.41Å | |
| O1 | C7 | sing | 1.43Å | 1.39Å | |
| C6 | C7 | sing | 1.54Å | 1.50Å | |
| C6 | F2 | sing | 1.40Å | 1.34Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N10 | HN5 | sing | 1.01Å | 1.00Å | |
| N10 | HN4 | sing | 1.01Å | 1.00Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| S1 | HS1 | sing | 1.34Å | 1.30Å | |
| N11 | HN3 | sing | 1.01Å | 1.00Å | |
| N11 | HN1 | sing | 1.01Å | 1.00Å | |
| HN2 | N11 | sing | 1.01Å | 1.00Å | |
| N10 | HN6 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C10 | N5 | 124.3° | 122.4° |
| C10 | N4 | C13 | 121.7° | 121.3° |
| N4 | C10 | H10 | 117.9° | 118.8° |
| C10 | N5 | C11 | 120.7° | 120.5° |
| N5 | C10 | H10 | 117.9° | 118.8° |
| N4 | C13 | N10 | 120.1° | 120.7° |
| N4 | C13 | C12 | 118.0° | 118.6° |
| N5 | C11 | C12 | 119.2° | 119.0° |
| N5 | C11 | N6 | 134.5° | 135.1° |
| N10 | C13 | C12 | 121.8° | 120.7° |
| C13 | N10 | HN5 | 109.5° | 109.5° |
| C13 | N10 | HN4 | 109.5° | 109.5° |
| C13 | N10 | HN6 | 109.5° | 109.5° |
| C13 | C12 | C11 | 116.1° | 118.2° |
| C13 | C12 | N7 | 136.7° | 134.8° |
| C12 | C11 | N6 | 106.3° | 106.0° |
| C11 | C12 | N7 | 107.2° | 107.0° |
| C11 | N6 | C17 | 124.1° | 126.3° |
| C11 | N6 | C14 | 107.7° | 107.4° |
| C12 | N7 | C14 | 106.9° | 109.5° |
| F1 | C16 | C17 | 109.9° | 110.4° |
| F1 | C16 | C15 | 111.8° | 110.3° |
| F1 | C16 | H16 | 112.3° | 110.3° |
| C17 | N6 | C14 | 128.2° | 126.3° |
| N6 | C17 | C16 | 107.2° | 109.9° |
| N6 | C17 | O5 | 110.5° | 109.9° |
| N6 | C17 | H17 | 110.6° | 109.9° |
| N6 | C14 | N7 | 111.9° | 110.1° |
| N6 | C14 | H14 | 124.0° | 124.9° |
| C16 | C17 | O5 | 106.1° | 107.5° |
| C17 | C16 | C15 | 102.6° | 105.0° |
| C17 | C16 | H16 | 109.9° | 110.3° |
| C16 | C17 | H17 | 110.2° | 109.8° |
| C17 | O5 | C18 | 110.0° | 109.7° |
| O5 | C17 | H17 | 112.0° | 109.8° |
| C16 | C15 | C18 | 100.1° | 105.1° |
| C16 | C15 | O7 | 112.2° | 110.3° |
| C16 | C15 | H15 | 108.9° | 110.4° |
| C15 | C16 | H16 | 109.9° | 110.4° |
| N7 | C14 | H14 | 124.0° | 125.0° |
| O5 | C18 | C15 | 105.8° | 107.7° |
| O5 | C18 | C19 | 113.8° | 109.8° |
| O5 | C18 | H18 | 108.4° | 109.8° |
| O | P | O7 | 108.7° | 109.5° |
| O | P | S1 | 112.9° | 109.5° |
| O | P | O2 | 108.2° | 109.5° |
| C18 | C15 | O7 | 115.9° | 110.3° |
| C15 | C18 | C19 | 113.9° | 109.8° |
| C18 | C15 | H15 | 108.9° | 110.3° |
| C15 | C18 | H18 | 107.4° | 109.9° |
| C15 | O7 | P | 119.9° | 123.0° |
| O7 | C15 | H15 | 110.3° | 110.3° |
| C18 | C19 | O8 | 113.5° | 109.5° |
| C19 | C18 | H18 | 107.3° | 109.8° |
| C18 | C19 | H192 | 108.4° | 109.4° |
| C18 | C19 | H191 | 108.4° | 109.5° |
| O7 | P | S1 | 112.2° | 109.5° |
| O7 | P | O2 | 108.2° | 109.5° |
| S1 | P | O2 | 106.5° | 109.4° |
| P | S1 | HS1 | 102.0° | 103.0° |
| P | O2 | C9 | 117.6° | 123.0° |
| N11 | C3 | C2 | 121.6° | 120.7° |
| N11 | C3 | N | 120.4° | 120.7° |
| C3 | N11 | HN3 | 109.5° | 109.5° |
| C3 | N11 | HN1 | 109.5° | 109.5° |
| C3 | N11 | HN2 | 109.5° | 109.5° |
| C19 | O8 | P1 | 120.0° | 122.9° |
| O8 | C19 | H192 | 108.5° | 109.5° |
| O8 | C19 | H191 | 108.5° | 109.5° |
| C2 | N3 | C4 | 107.6° | 109.5° |
| N3 | C2 | C3 | 136.8° | 134.8° |
| N3 | C2 | C1 | 106.4° | 107.0° |
| N3 | C4 | N2 | 111.5° | 110.0° |
| N3 | C4 | H4 | 124.2° | 125.0° |
| O8 | P1 | O22 | 107.8° | 109.5° |
| O8 | P1 | O4 | 108.7° | 109.4° |
| O8 | P1 | O10 | 105.8° | 109.4° |
| O2 | C9 | C8 | 112.2° | 109.5° |
| O2 | C9 | H91 | 108.8° | 109.5° |
| O2 | C9 | H92 | 108.8° | 109.5° |
| C2 | C3 | N | 118.1° | 118.6° |
| C3 | C2 | C1 | 116.8° | 118.2° |
| C3 | N | C | 121.7° | 121.3° |
| C2 | C1 | N2 | 106.3° | 105.9° |
| C2 | C1 | N1 | 118.4° | 119.0° |
| C4 | N2 | C1 | 108.2° | 107.5° |
| C4 | N2 | C7 | 127.0° | 126.2° |
| N2 | C4 | H4 | 124.3° | 125.0° |
| N | C | N1 | 123.7° | 122.4° |
| N | C | H | 118.1° | 118.8° |
| C9 | C8 | C5 | 113.4° | 109.8° |
| C9 | C8 | O1 | 111.6° | 109.8° |
| C9 | C8 | H8 | 108.1° | 109.8° |
| C8 | C9 | H91 | 108.8° | 109.5° |
| C8 | C9 | H92 | 108.8° | 109.5° |
| O22 | P1 | O4 | 112.1° | 109.5° |
| O22 | P1 | O10 | 109.0° | 109.5° |
| O4 | P1 | O10 | 113.2° | 109.5° |
| P1 | O4 | H1 | 109.5° | 114.0° |
| P1 | O10 | C5 | 125.1° | 123.0° |
| N2 | C1 | N1 | 135.2° | 135.0° |
| C1 | N2 | C7 | 124.8° | 126.3° |
| C1 | N1 | C | 121.3° | 120.4° |
| N2 | C7 | O1 | 111.5° | 109.9° |
| N2 | C7 | C6 | 106.3° | 109.8° |
| N2 | C7 | H7 | 110.7° | 109.8° |
| O10 | C5 | C8 | 114.9° | 110.3° |
| O10 | C5 | C6 | 113.0° | 110.3° |
| O10 | C5 | H5 | 110.2° | 110.3° |
| C8 | C5 | C6 | 100.0° | 105.1° |
| C5 | C8 | O1 | 106.0° | 107.7° |
| C8 | C5 | H5 | 109.1° | 110.4° |
| C5 | C8 | H8 | 108.2° | 109.8° |
| C5 | C6 | C7 | 102.9° | 105.0° |
| C5 | C6 | F2 | 111.7° | 110.4° |
| C6 | C5 | H5 | 109.1° | 110.4° |
| C5 | C6 | H6 | 109.8° | 110.4° |
| N1 | C | H | 118.1° | 118.8° |
| C8 | O1 | C7 | 109.8° | 109.7° |
| O1 | C8 | H8 | 109.3° | 109.8° |
| O1 | C7 | C6 | 106.1° | 107.6° |
| O1 | C7 | H7 | 111.8° | 109.8° |
| C7 | C6 | F2 | 110.1° | 110.3° |
| C7 | C6 | H6 | 109.8° | 110.3° |
| C6 | C7 | H7 | 110.2° | 109.8° |
| F2 | C6 | H6 | 112.2° | 110.3° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| HN5 | N10 | HN4 | 109.4° | 109.5° |
| HN5 | N10 | HN6 | 109.5° | 109.4° |
| HN4 | N10 | HN6 | 109.4° | 109.5° |
| HN3 | N11 | HN1 | 109.4° | 109.4° |
| HN3 | N11 | HN2 | 109.4° | 109.5° |
| HN1 | N11 | HN2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C10 | N5 | H10 | 180.0° | 179.7° |
| N4 | C10 | N5 | C11 | 0.7° | 0.0° |
| C10 | N4 | C13 | N10 | 179.7° | 180.0° |
| C10 | N4 | C13 | C12 | 0.9° | 0.0° |
| N5 | C10 | N4 | C13 | 0.2° | 0.0° |
| C10 | N5 | C11 | C12 | 0.8° | 0.1° |
| C10 | N5 | C11 | N6 | 179.2° | 180.0° |
| N4 | C13 | N10 | C12 | 179.4° | 180.0° |
| N4 | C13 | C12 | C11 | 0.8° | 0.0° |
| N4 | C13 | C12 | N7 | 179.0° | 179.9° |
| C13 | N4 | C10 | H10 | 179.8° | 179.7° |
| N4 | C13 | N10 | HN5 | 0.0° | 90.1° |
| N4 | C13 | N10 | HN4 | 120.0° | 29.9° |
| N4 | C13 | N10 | HN6 | 120.0° | 150.0° |
| N5 | C11 | C12 | C13 | 0.1° | 0.1° |
| N5 | C11 | C12 | N6 | 179.9° | 179.9° |
| N5 | C11 | C12 | N7 | 179.8° | 180.0° |
| N5 | C11 | N6 | C17 | 0.5° | 0.0° |
| N5 | C11 | N6 | C14 | 179.8° | 179.9° |
| C11 | N5 | C10 | H10 | 179.3° | 179.7° |
| N10 | C13 | C12 | C11 | 179.8° | 179.9° |
| N10 | C13 | C12 | N7 | 0.5° | 0.0° |
| C13 | N10 | HN5 | HN4 | 120.0° | 120.0° |
| C13 | N10 | HN5 | HN6 | 120.0° | 120.0° |
| C13 | N10 | HN4 | HN6 | 120.0° | 120.1° |
| C13 | C12 | C11 | N7 | 179.8° | 179.9° |
| C13 | C12 | C11 | N6 | 179.9° | 180.0° |
| C13 | C12 | N7 | C14 | 179.8° | 180.0° |
| C12 | C13 | N10 | HN5 | 179.4° | 90.0° |
| C12 | C13 | N10 | HN4 | 59.4° | 150.0° |
| C12 | C13 | N10 | HN6 | 60.5° | 30.0° |
| C12 | C11 | N6 | C17 | 179.6° | 180.0° |
| C12 | C11 | N6 | C14 | 0.1° | 0.0° |
| C11 | C12 | N7 | C14 | 0.0° | 0.1° |
| N6 | C11 | C12 | N7 | 0.1° | 0.1° |
| C11 | N6 | C17 | C14 | 179.6° | 180.0° |
| C11 | N6 | C17 | C16 | 73.3° | 85.0° |
| C11 | N6 | C17 | O5 | 171.5° | 157.0° |
| C11 | N6 | C14 | N7 | 0.1° | 0.0° |
| C11 | N6 | C14 | H14 | 179.9° | 180.0° |
| C11 | N6 | C17 | H17 | 46.9° | 36.0° |
| C12 | N7 | C14 | N6 | 0.0° | 0.1° |
| C12 | N7 | C14 | H14 | 180.0° | 179.9° |
| F1 | C16 | C17 | N6 | 152.4° | 106.8° |
| F1 | C16 | C17 | C15 | 119.1° | 118.9° |
| F1 | C16 | C17 | H16 | 124.1° | 122.1° |
| F1 | C16 | C17 | O5 | 89.5° | 133.6° |
| F1 | C16 | C15 | H16 | 125.5° | 122.1° |
| F1 | C16 | C15 | C18 | 79.8° | 120.9° |
| F1 | C16 | C15 | O7 | 43.7° | 2.0° |
| F1 | C16 | C15 | H15 | 166.0° | 120.1° |
| F1 | C16 | C17 | H17 | 32.0° | 14.2° |
| N6 | C17 | C16 | O5 | 118.1° | 119.5° |
| N6 | C17 | C16 | H17 | 120.5° | 121.0° |
| N6 | C17 | O5 | H17 | 123.8° | 121.0° |
| N6 | C17 | C16 | C15 | 88.5° | 134.3° |
| C17 | N6 | C14 | N7 | 179.6° | 180.0° |
| N6 | C17 | O5 | C18 | 107.9° | 142.5° |
| C17 | N6 | C14 | H14 | 0.5° | 0.0° |
| N6 | C17 | C16 | H16 | 28.4° | 15.3° |
| C14 | N6 | C17 | C16 | 106.3° | 95.0° |
| C14 | N6 | C17 | O5 | 8.9° | 23.0° |
| N6 | C14 | N7 | H14 | 180.0° | 180.0° |
| C14 | N6 | C17 | H17 | 133.5° | 144.0° |
| C16 | C17 | O5 | H17 | 120.3° | 119.4° |
| C17 | C16 | C15 | H16 | 116.8° | 118.9° |
| C16 | C17 | O5 | C18 | 8.0° | 23.0° |
| C17 | C16 | C15 | C18 | 37.9° | 2.0° |
| C17 | C16 | C15 | O7 | 161.4° | 116.9° |
| C17 | C16 | C15 | H15 | 76.2° | 120.9° |
| O5 | C17 | C16 | C15 | 29.6° | 14.7° |
| C17 | O5 | C18 | C15 | 17.0° | 21.7° |
| C17 | O5 | C18 | C19 | 142.8° | 141.3° |
| O5 | C17 | C16 | H16 | 146.4° | 104.2° |
| C17 | O5 | C18 | H18 | 97.9° | 97.9° |
| C16 | C15 | C18 | O5 | 34.3° | 11.4° |
| C16 | C15 | C18 | O7 | 120.9° | 118.9° |
| C16 | C15 | C18 | H15 | 114.2° | 119.0° |
| C16 | C15 | O7 | H15 | 121.6° | 122.2° |
| C16 | C15 | C18 | C19 | 160.0° | 131.0° |
| C16 | C15 | O7 | P | 94.1° | 118.1° |
| C15 | C16 | C17 | H17 | 151.1° | 104.7° |
| C16 | C15 | C18 | H18 | 81.4° | 108.2° |
| O5 | C18 | C15 | C19 | 125.7° | 119.6° |
| O5 | C18 | C15 | H18 | 115.7° | 119.6° |
| O5 | C18 | C15 | O7 | 155.1° | 130.3° |
| O5 | C18 | C19 | H18 | 119.9° | 120.8° |
| O5 | C18 | C19 | O8 | 53.6° | 121.5° |
| O5 | C18 | C15 | H15 | 79.9° | 107.5° |
| C18 | O5 | C17 | H17 | 128.3° | 96.5° |
| O5 | C18 | C19 | H192 | 67.0° | 118.4° |
| O5 | C18 | C19 | H191 | 174.3° | 1.6° |
| O | P | O7 | C15 | 50.3° | 8.1° |
| O | P | O7 | S1 | 125.6° | 120.0° |
| O | P | O7 | O2 | 117.2° | 120.0° |
| O | P | S1 | O2 | 118.6° | 120.0° |
| O | P | O2 | C9 | 173.4° | 3.4° |
| O | P | S1 | HS1 | 0.0° | 60.0° |
| C18 | C15 | O7 | H15 | 124.3° | 122.2° |
| C15 | C18 | C19 | H18 | 118.7° | 120.9° |
| C18 | C15 | O7 | P | 151.8° | 126.2° |
| C15 | C18 | C19 | O8 | 67.7° | 120.2° |
| C18 | C15 | C16 | H16 | 154.7° | 117.0° |
| C15 | C18 | C19 | H192 | 171.7° | 0.1° |
| C15 | C18 | C19 | H191 | 52.9° | 119.9° |
| O7 | C15 | C18 | C19 | 79.1° | 110.1° |
| C15 | O7 | P | S1 | 175.8° | 128.1° |
| C15 | O7 | P | O2 | 67.0° | 111.9° |
| O7 | C15 | C16 | H16 | 81.8° | 124.2° |
| O7 | C15 | C18 | H18 | 39.5° | 10.7° |
| C18 | C19 | O8 | H192 | 120.6° | 120.0° |
| C18 | C19 | O8 | H191 | 120.6° | 120.0° |
| C18 | C19 | O8 | P1 | 167.7° | 149.5° |
| C19 | C18 | C15 | H15 | 45.8° | 12.0° |
| C18 | C19 | H192 | H191 | 118.1° | 120.0° |
| O7 | P | S1 | O2 | 118.2° | 120.0° |
| O7 | P | O2 | C9 | 69.1° | 123.4° |
| P | O7 | C15 | H15 | 27.5° | 4.1° |
| O7 | P | S1 | HS1 | 123.2° | 180.0° |
| S1 | P | O2 | C9 | 51.8° | 116.6° |
| P | O2 | C9 | C8 | 169.8° | 150.8° |
| P | O2 | C9 | H91 | 49.4° | 30.7° |
| P | O2 | C9 | H92 | 69.8° | 89.2° |
| O2 | P | S1 | HS1 | 118.6° | 60.0° |
| N11 | C3 | C2 | N3 | 0.6° | 0.1° |
| N11 | C3 | C2 | N | 178.7° | 179.9° |
| N11 | C3 | C2 | C1 | 178.7° | 180.0° |
| N11 | C3 | N | C | 179.7° | 179.9° |
| C3 | N11 | HN3 | HN1 | 120.0° | 120.0° |
| C3 | N11 | HN3 | HN2 | 120.0° | 120.1° |
| C3 | N11 | HN1 | HN2 | 120.0° | 120.0° |
| C19 | O8 | P1 | O22 | 179.5° | 3.7° |
| C19 | O8 | P1 | O4 | 58.8° | 116.3° |
| C19 | O8 | P1 | O10 | 63.0° | 123.7° |
| O8 | C19 | C18 | H18 | 173.6° | 0.7° |
| O8 | C19 | H192 | H191 | 118.2° | 120.0° |
| N3 | C2 | C3 | C1 | 179.3° | 179.9° |
| N3 | C2 | C3 | N | 179.3° | 180.0° |
| C2 | N3 | C4 | N2 | 0.1° | 0.0° |
| N3 | C2 | C1 | N2 | 0.1° | 0.0° |
| N3 | C2 | C1 | N1 | 179.8° | 180.0° |
| C2 | N3 | C4 | H4 | 179.9° | 180.0° |
| C4 | N3 | C2 | C3 | 179.3° | 179.9° |
| C4 | N3 | C2 | C1 | 0.0° | 0.0° |
| N3 | C4 | N2 | H4 | 180.0° | 180.0° |
| N3 | C4 | N2 | C1 | 0.2° | 0.0° |
| N3 | C4 | N2 | C7 | 178.4° | 180.0° |
| O8 | P1 | O22 | O4 | 119.5° | 120.0° |
| O8 | P1 | O22 | O10 | 114.4° | 120.0° |
| O8 | P1 | O4 | O10 | 117.2° | 120.0° |
| O8 | P1 | O10 | C5 | 70.6° | 113.3° |
| P1 | O8 | C19 | H192 | 71.7° | 29.5° |
| P1 | O8 | C19 | H191 | 47.2° | 90.5° |
| O8 | P1 | O4 | H1 | 119.0° | 60.0° |
| O2 | C9 | C8 | H91 | 120.4° | 120.0° |
| O2 | C9 | C8 | H92 | 120.4° | 120.0° |
| O2 | C9 | C8 | C5 | 57.8° | 120.3° |
| O2 | C9 | C8 | O1 | 61.9° | 121.4° |
| O2 | C9 | C8 | H8 | 177.8° | 0.6° |
| O2 | C9 | H91 | H92 | 118.7° | 120.0° |
| C2 | C3 | N | C | 0.9° | 0.0° |
| C3 | C2 | C1 | N2 | 179.6° | 180.0° |
| C3 | C2 | C1 | N1 | 0.7° | 0.0° |
| C2 | C3 | N11 | HN3 | 178.7° | 90.0° |
| C2 | C3 | N11 | HN1 | 58.7° | 150.0° |
| C2 | C3 | N11 | HN2 | 61.3° | 30.1° |
| N | C3 | C2 | C1 | 0.0° | 0.0° |
| C3 | N | C | N1 | 1.3° | 0.0° |
| C3 | N | C | H | 178.7° | 180.0° |
| N | C3 | N11 | HN3 | 0.0° | 89.9° |
| N | C3 | N11 | HN1 | 120.0° | 30.1° |
| N | C3 | N11 | HN2 | 120.0° | 150.0° |
| C2 | C1 | N2 | C4 | 0.1° | 0.0° |
| C2 | C1 | N2 | N1 | 179.7° | 180.0° |
| C2 | C1 | N2 | C7 | 178.5° | 180.0° |
| C2 | C1 | N1 | C | 0.4° | 0.0° |
| C4 | N2 | C1 | C7 | 178.6° | 180.0° |
| C4 | N2 | C1 | N1 | 179.8° | 180.0° |
| C4 | N2 | C7 | O1 | 7.1° | 23.2° |
| C4 | N2 | C7 | C6 | 108.0° | 95.1° |
| C4 | N2 | C7 | H7 | 132.3° | 144.1° |
| N | C | N1 | C1 | 0.6° | 0.1° |
| N | C | N1 | H | 180.0° | 179.9° |
| C9 | C8 | C5 | O10 | 81.5° | 108.7° |
| C9 | C8 | C5 | O1 | 122.8° | 119.6° |
| C9 | C8 | C5 | H8 | 120.0° | 120.9° |
| C9 | C8 | C5 | C6 | 157.3° | 132.4° |
| C9 | C8 | O1 | H8 | 119.6° | 120.9° |
| C9 | C8 | O1 | C7 | 141.6° | 141.8° |
| C9 | C8 | C5 | H5 | 42.9° | 13.4° |
| C8 | C9 | H91 | H92 | 118.7° | 120.0° |
| O22 | P1 | O4 | O10 | 123.8° | 120.0° |
| O22 | P1 | O10 | C5 | 45.0° | 6.7° |
| O22 | P1 | O4 | H1 | 0.0° | 59.9° |
| O4 | P1 | O10 | C5 | 170.5° | 126.7° |
| P1 | O10 | C5 | C8 | 156.6° | 126.1° |
| P1 | O10 | C5 | C6 | 89.6° | 118.2° |
| P1 | O10 | C5 | H5 | 32.8° | 3.9° |
| O10 | P1 | O4 | H1 | 123.7° | 180.0° |
| N2 | C1 | N1 | C | 179.9° | 180.0° |
| C1 | N2 | C7 | O1 | 174.5° | 156.8° |
| C1 | N2 | C7 | C6 | 70.3° | 85.0° |
| C1 | N2 | C4 | H4 | 179.8° | 180.0° |
| C1 | N2 | C7 | H7 | 49.3° | 35.9° |
| N1 | C1 | N2 | C7 | 1.2° | 0.0° |
| C1 | N1 | C | H | 179.4° | 180.0° |
| N2 | C7 | C6 | C5 | 89.8° | 133.0° |
| N2 | C7 | O1 | C8 | 108.0° | 142.0° |
| N2 | C7 | O1 | C6 | 115.3° | 119.6° |
| N2 | C7 | O1 | H7 | 124.5° | 120.9° |
| N2 | C7 | C6 | H7 | 119.9° | 120.9° |
| N2 | C7 | C6 | F2 | 151.0° | 108.1° |
| C7 | N2 | C4 | H4 | 1.6° | 0.0° |
| N2 | C7 | C6 | H6 | 27.1° | 14.0° |
| O10 | C5 | C8 | C6 | 121.3° | 118.9° |
| O10 | C5 | C8 | H5 | 124.3° | 122.1° |
| O10 | C5 | C6 | H5 | 123.0° | 122.1° |
| O10 | C5 | C8 | O1 | 155.7° | 131.7° |
| O10 | C5 | C6 | C7 | 160.3° | 118.6° |
| O10 | C5 | C6 | F2 | 42.3° | 0.3° |
| O10 | C5 | C6 | H6 | 82.9° | 122.5° |
| O10 | C5 | C8 | H8 | 38.5° | 12.2° |
| C8 | C5 | C6 | H5 | 114.4° | 119.0° |
| C5 | C8 | O1 | H8 | 116.5° | 119.6° |
| C5 | C8 | O1 | C7 | 17.6° | 22.2° |
| C8 | C5 | C6 | C7 | 37.7° | 0.3° |
| C8 | C5 | C6 | F2 | 80.3° | 119.2° |
| C8 | C5 | C6 | H6 | 154.5° | 118.6° |
| C5 | C8 | C9 | H91 | 62.6° | 0.3° |
| C5 | C8 | C9 | H92 | 178.2° | 119.6° |
| C6 | C5 | C8 | O1 | 34.4° | 12.8° |
| C5 | C6 | C7 | O1 | 29.1° | 13.3° |
| C5 | C6 | C7 | F2 | 119.2° | 118.9° |
| C5 | C6 | C7 | H6 | 116.8° | 118.9° |
| C5 | C6 | F2 | H6 | 123.8° | 122.3° |
| C5 | C6 | C7 | H7 | 150.3° | 106.2° |
| C6 | C5 | C8 | H8 | 82.7° | 106.7° |
| C8 | O1 | C7 | C6 | 7.3° | 22.4° |
| O1 | C8 | C5 | H5 | 80.0° | 106.2° |
| C8 | O1 | C7 | H7 | 127.5° | 97.1° |
| O1 | C8 | C9 | H91 | 177.7° | 118.5° |
| O1 | C8 | C9 | H92 | 58.5° | 1.4° |
| O1 | C7 | C6 | H7 | 121.2° | 119.5° |
| O1 | C7 | C6 | F2 | 90.2° | 132.3° |
| O1 | C7 | C6 | H6 | 145.9° | 105.6° |
| C7 | O1 | C8 | H8 | 98.9° | 97.4° |
| C7 | C6 | F2 | H6 | 122.5° | 122.1° |
| C7 | C6 | C5 | H5 | 76.6° | 119.3° |
| F2 | C6 | C5 | H5 | 165.3° | 121.8° |
| F2 | C6 | C7 | H7 | 31.1° | 12.8° |
| H15 | C15 | C16 | H16 | 40.6° | 2.0° |
| H15 | C15 | C18 | H18 | 164.4° | 132.9° |
| H16 | C16 | C17 | H17 | 92.1° | 136.3° |
| H18 | C18 | C19 | H192 | 53.0° | 120.8° |
| H18 | C18 | C19 | H191 | 65.8° | 119.3° |
| H5 | C5 | C6 | H6 | 40.1° | 0.4° |
| H5 | C5 | C8 | H8 | 162.9° | 134.3° |
| H6 | C6 | C7 | H7 | 92.9° | 134.9° |
| H8 | C8 | C9 | H91 | 57.4° | 120.6° |
| H8 | C8 | C9 | H92 | 61.8° | 119.5° |
| HN5 | N10 | HN4 | HN6 | 120.0° | 119.9° |
| HN3 | N11 | HN1 | HN2 | 120.0° | 120.0° |
