R4T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S4 | P1 | sing | 2.12Å | 1.97Å | |
| O22 | P1 | doub | 1.48Å | 1.40Å | |
| P1 | O8 | sing | 1.61Å | 1.55Å | |
| P1 | O10 | sing | 1.61Å | 1.51Å | |
| C14 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| C14 | N6 | sing | 1.36Å | 1.32Å | Aromatic |
| O5 | C17 | sing | 1.43Å | 1.40Å | |
| O5 | C18 | sing | 1.43Å | 1.39Å | |
| N7 | C12 | sing | 1.36Å | 1.32Å | Aromatic |
| O8 | C19 | sing | 1.43Å | 1.41Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| N6 | C17 | sing | 1.46Å | 1.46Å | |
| N6 | C11 | sing | 1.37Å | 1.29Å | Aromatic |
| C17 | C16 | sing | 1.54Å | 1.49Å | |
| C12 | C11 | doub | 1.41Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.46Å | Aromatic |
| C18 | C15 | sing | 1.54Å | 1.49Å | |
| O10 | C5 | sing | 1.43Å | 1.39Å | |
| C11 | N5 | sing | 1.33Å | 1.32Å | Aromatic |
| N9 | C13 | sing | 1.40Å | 1.48Å | |
| C13 | N4 | doub | 1.32Å | 1.32Å | Aromatic |
| N5 | C10 | doub | 1.32Å | 1.31Å | Aromatic |
| C | N | doub | 1.32Å | 1.32Å | Aromatic |
| C | N1 | sing | 1.32Å | 1.31Å | Aromatic |
| C16 | F6 | sing | 1.40Å | 1.33Å | |
| C16 | C15 | sing | 1.54Å | 1.48Å | |
| C5 | C6 | sing | 1.54Å | 1.48Å | |
| C5 | C8 | sing | 1.54Å | 1.50Å | |
| F9 | C6 | sing | 1.40Å | 1.33Å | |
| N | C3 | sing | 1.32Å | 1.32Å | Aromatic |
| N4 | C10 | sing | 1.32Å | 1.32Å | Aromatic |
| C15 | O7 | sing | 1.43Å | 1.39Å | |
| C6 | C7 | sing | 1.54Å | 1.48Å | |
| N1 | C1 | doub | 1.33Å | 1.32Å | Aromatic |
| C3 | N11 | sing | 1.40Å | 1.48Å | |
| C3 | C2 | doub | 1.40Å | 1.46Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.43Å | Aromatic |
| C1 | N2 | sing | 1.37Å | 1.29Å | Aromatic |
| O7 | P | sing | 1.61Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | O1 | sing | 1.43Å | 1.39Å | |
| C2 | N3 | sing | 1.36Å | 1.32Å | Aromatic |
| C7 | N2 | sing | 1.47Å | 1.46Å | |
| C7 | O1 | sing | 1.43Å | 1.40Å | |
| C9 | O2 | sing | 1.43Å | 1.41Å | |
| N2 | C4 | sing | 1.36Å | 1.32Å | Aromatic |
| O2 | P | sing | 1.61Å | 1.54Å | |
| N3 | C4 | doub | 1.30Å | 1.34Å | Aromatic |
| P | O | doub | 1.48Å | 1.40Å | |
| P | S3 | sing | 2.12Å | 1.97Å | |
| 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 | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | 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 | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 1.01Å | 1.00Å | |
| N11 | H113 | sing | 1.01Å | 1.00Å | |
| N9 | HN92 | sing | 1.01Å | 1.00Å | |
| N9 | HN9 | sing | 1.01Å | 1.00Å | |
| S3 | HS3 | sing | 1.34Å | 1.30Å | |
| S4 | HS4 | sing | 1.35Å | 1.30Å | |
| HN91 | N9 | sing | 1.01Å | 1.00Å | |
| N11 | H112 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S4 | P1 | O22 | 113.4° | 109.5° |
| S4 | P1 | O8 | 110.8° | 109.5° |
| S4 | P1 | O10 | 107.1° | 109.4° |
| P1 | S4 | HS4 | 102.0° | 103.0° |
| O22 | P1 | O8 | 111.5° | 109.5° |
| O22 | P1 | O10 | 101.9° | 109.5° |
| O8 | P1 | O10 | 111.7° | 109.4° |
| P1 | O8 | C19 | 120.9° | 123.0° |
| P1 | O10 | C5 | 113.8° | 123.0° |
| N7 | C14 | N6 | 109.9° | 110.1° |
| C14 | N7 | C12 | 108.0° | 109.5° |
| N7 | C14 | H14 | 125.0° | 125.0° |
| C14 | N6 | C17 | 129.7° | 126.3° |
| C14 | N6 | C11 | 108.8° | 107.5° |
| N6 | C14 | H14 | 125.0° | 124.9° |
| C17 | O5 | C18 | 110.4° | 109.7° |
| O5 | C17 | N6 | 111.8° | 109.9° |
| O5 | C17 | C16 | 105.9° | 107.5° |
| O5 | C17 | H17 | 111.1° | 109.8° |
| O5 | C18 | C19 | 109.0° | 109.8° |
| O5 | C18 | C15 | 100.6° | 107.7° |
| O5 | C18 | H18 | 111.8° | 109.9° |
| N7 | C12 | C11 | 105.6° | 107.0° |
| N7 | C12 | C13 | 138.3° | 134.7° |
| O8 | C19 | C18 | 111.9° | 109.5° |
| O8 | C19 | H192 | 108.8° | 109.4° |
| O8 | C19 | H191 | 108.9° | 109.5° |
| C19 | C18 | C15 | 115.0° | 109.8° |
| C19 | C18 | H18 | 110.0° | 109.8° |
| C18 | C19 | H192 | 108.9° | 109.5° |
| C18 | C19 | H191 | 108.8° | 109.5° |
| C17 | N6 | C11 | 121.6° | 126.3° |
| N6 | C17 | C16 | 107.9° | 109.9° |
| N6 | C17 | H17 | 110.2° | 109.9° |
| N6 | C11 | C12 | 107.7° | 106.0° |
| N6 | C11 | N5 | 131.7° | 135.0° |
| C17 | C16 | F6 | 108.0° | 110.3° |
| C17 | C16 | C15 | 101.5° | 105.0° |
| C16 | C17 | H17 | 109.8° | 109.8° |
| C17 | C16 | H16 | 111.2° | 110.3° |
| C11 | C12 | C13 | 116.1° | 118.2° |
| C12 | C11 | N5 | 120.6° | 119.0° |
| C12 | C13 | N9 | 125.0° | 120.7° |
| C12 | C13 | N4 | 117.0° | 118.6° |
| C18 | C15 | C16 | 101.7° | 105.1° |
| C18 | C15 | O7 | 114.3° | 110.3° |
| C18 | C15 | H15 | 109.3° | 110.3° |
| C15 | C18 | H18 | 110.1° | 109.8° |
| O10 | C5 | C6 | 110.5° | 110.3° |
| O10 | C5 | C8 | 114.3° | 110.4° |
| O10 | C5 | H5 | 111.0° | 110.3° |
| C11 | N5 | C10 | 120.5° | 120.5° |
| N9 | C13 | N4 | 118.0° | 120.7° |
| C13 | N9 | HN92 | 109.5° | 109.5° |
| C13 | N9 | HN9 | 109.4° | 109.5° |
| C13 | N9 | HN91 | 109.5° | 109.5° |
| C13 | N4 | C10 | 123.2° | 121.3° |
| N5 | C10 | N4 | 122.6° | 122.4° |
| N5 | C10 | H10 | 118.7° | 118.8° |
| N | C | N1 | 122.6° | 122.4° |
| C | N | C3 | 123.2° | 121.4° |
| N | C | H | 118.7° | 118.8° |
| C | N1 | C1 | 120.4° | 120.5° |
| N1 | C | H | 118.7° | 118.8° |
| F6 | C16 | C15 | 110.3° | 110.3° |
| F6 | C16 | H16 | 113.8° | 110.4° |
| C16 | C15 | O7 | 110.5° | 110.3° |
| C16 | C15 | H15 | 109.6° | 110.3° |
| C15 | C16 | H16 | 111.3° | 110.3° |
| C6 | C5 | C8 | 101.7° | 105.1° |
| C5 | C6 | F9 | 110.2° | 110.3° |
| C5 | C6 | C7 | 101.5° | 105.0° |
| C6 | C5 | H5 | 109.6° | 110.3° |
| C5 | C6 | H6 | 111.3° | 110.4° |
| C5 | C8 | C9 | 115.0° | 109.8° |
| C5 | C8 | O1 | 100.6° | 107.8° |
| C8 | C5 | H5 | 109.3° | 110.4° |
| C5 | C8 | H8 | 110.2° | 109.8° |
| F9 | C6 | C7 | 108.0° | 110.3° |
| F9 | C6 | H6 | 113.9° | 110.4° |
| N | C3 | N11 | 118.1° | 120.7° |
| N | C3 | C2 | 117.1° | 118.6° |
| N4 | C10 | H10 | 118.7° | 118.8° |
| C15 | O7 | P | 113.9° | 123.0° |
| O7 | C15 | H15 | 111.0° | 110.3° |
| C6 | C7 | N2 | 107.9° | 109.8° |
| C6 | C7 | O1 | 106.0° | 107.6° |
| C7 | C6 | H6 | 111.3° | 110.3° |
| C6 | C7 | H7 | 109.8° | 109.8° |
| N1 | C1 | C2 | 120.7° | 119.0° |
| N1 | C1 | N2 | 131.6° | 135.1° |
| N11 | C3 | C2 | 124.9° | 120.7° |
| C3 | N11 | H111 | 109.5° | 109.5° |
| C3 | N11 | H113 | 109.4° | 109.5° |
| C3 | N11 | H112 | 109.5° | 109.5° |
| C3 | C2 | C1 | 116.0° | 118.2° |
| C3 | C2 | N3 | 138.4° | 134.8° |
| C2 | C1 | N2 | 107.7° | 105.9° |
| C1 | C2 | N3 | 105.6° | 107.0° |
| C1 | N2 | C7 | 121.6° | 126.2° |
| C1 | N2 | C4 | 108.8° | 107.5° |
| O7 | P | O2 | 111.7° | 109.5° |
| O7 | P | O | 101.9° | 109.5° |
| O7 | P | S3 | 107.1° | 109.5° |
| C9 | C8 | O1 | 109.1° | 109.8° |
| C8 | C9 | O2 | 112.0° | 109.5° |
| C9 | C8 | H8 | 110.0° | 109.8° |
| C8 | C9 | H91 | 108.8° | 109.4° |
| C8 | C9 | H92 | 108.8° | 109.4° |
| C8 | O1 | C7 | 110.4° | 109.7° |
| O1 | C8 | H8 | 111.8° | 109.9° |
| C2 | N3 | C4 | 108.1° | 109.5° |
| N2 | C7 | O1 | 111.7° | 109.8° |
| C7 | N2 | C4 | 129.6° | 126.3° |
| N2 | C7 | H7 | 110.1° | 109.8° |
| O1 | C7 | H7 | 111.1° | 109.9° |
| C9 | O2 | P | 120.9° | 123.0° |
| O2 | C9 | H91 | 108.8° | 109.5° |
| O2 | C9 | H92 | 108.8° | 109.5° |
| N2 | C4 | N3 | 109.8° | 110.0° |
| N2 | C4 | H4 | 125.1° | 124.9° |
| O2 | P | O | 111.6° | 109.5° |
| O2 | P | S3 | 110.8° | 109.4° |
| N3 | C4 | H4 | 125.1° | 125.0° |
| O | P | S3 | 113.4° | 109.5° |
| P | S3 | HS3 | 102.0° | 103.0° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.4° |
| H111 | N11 | H113 | 109.5° | 109.4° |
| H111 | N11 | H112 | 109.5° | 109.5° |
| H113 | N11 | H112 | 109.5° | 109.5° |
| HN92 | N9 | HN9 | 109.5° | 109.5° |
| HN92 | N9 | HN91 | 109.5° | 109.4° |
| HN9 | N9 | HN91 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S4 | P1 | O22 | O8 | 126.0° | 120.0° |
| S4 | P1 | O22 | O10 | 114.8° | 120.0° |
| S4 | P1 | O8 | O10 | 119.3° | 119.9° |
| S4 | P1 | O8 | C19 | 57.9° | 115.9° |
| S4 | P1 | O10 | C5 | 178.6° | 128.0° |
| O22 | P1 | O8 | O10 | 113.3° | 120.0° |
| O22 | P1 | O8 | C19 | 174.7° | 4.1° |
| O22 | P1 | O10 | C5 | 59.3° | 8.0° |
| O22 | P1 | S4 | HS4 | 0.0° | 60.0° |
| P1 | O8 | C19 | C18 | 177.4° | 150.7° |
| O8 | P1 | O10 | C5 | 59.9° | 112.0° |
| P1 | O8 | C19 | H192 | 57.0° | 30.7° |
| P1 | O8 | C19 | H191 | 62.2° | 89.2° |
| O8 | P1 | S4 | HS4 | 126.3° | 60.0° |
| O10 | P1 | O8 | C19 | 61.4° | 124.2° |
| P1 | O10 | C5 | C6 | 105.8° | 118.7° |
| P1 | O10 | C5 | C8 | 140.2° | 125.7° |
| P1 | O10 | C5 | H5 | 16.0° | 3.4° |
| O10 | P1 | S4 | HS4 | 111.7° | 180.0° |
| N7 | C14 | N6 | H14 | 180.0° | 180.0° |
| N7 | C14 | N6 | C17 | 179.5° | 180.0° |
| N7 | C14 | N6 | C11 | 0.3° | 0.1° |
| C14 | N7 | C12 | C11 | 0.2° | 0.0° |
| C14 | N7 | C12 | C13 | 179.9° | 179.7° |
| C14 | N6 | C17 | O5 | 6.1° | 23.1° |
| N6 | C14 | N7 | C12 | 0.3° | 0.0° |
| C14 | N6 | C17 | C11 | 179.7° | 179.9° |
| C14 | N6 | C17 | C16 | 122.2° | 95.0° |
| C14 | N6 | C11 | C12 | 0.1° | 0.1° |
| C14 | N6 | C11 | N5 | 179.9° | 180.0° |
| C14 | N6 | C17 | H17 | 117.9° | 144.1° |
| C17 | O5 | C18 | C19 | 154.1° | 141.5° |
| O5 | C17 | N6 | C16 | 116.1° | 118.1° |
| O5 | C17 | N6 | H17 | 124.0° | 120.9° |
| O5 | C17 | N6 | C11 | 174.2° | 157.0° |
| O5 | C17 | C16 | H17 | 120.0° | 119.4° |
| C17 | O5 | C18 | C15 | 32.7° | 21.9° |
| O5 | C17 | C16 | F6 | 96.3° | 133.1° |
| O5 | C17 | C16 | C15 | 19.7° | 14.2° |
| C17 | O5 | C18 | H18 | 84.2° | 97.7° |
| O5 | C17 | C16 | H16 | 138.2° | 104.7° |
| O5 | C18 | C19 | O8 | 39.1° | 121.9° |
| O5 | C18 | C19 | C15 | 112.1° | 118.3° |
| O5 | C18 | C19 | H18 | 122.9° | 120.9° |
| C18 | O5 | C17 | N6 | 125.9° | 142.3° |
| C18 | O5 | C17 | C16 | 8.6° | 22.8° |
| O5 | C18 | C15 | H18 | 118.1° | 119.6° |
| O5 | C18 | C15 | C16 | 43.9° | 12.0° |
| O5 | C18 | C15 | O7 | 163.0° | 130.9° |
| O5 | C18 | C15 | H15 | 71.9° | 107.0° |
| C18 | O5 | C17 | H17 | 110.6° | 96.7° |
| O5 | C18 | C19 | H192 | 159.5° | 118.2° |
| O5 | C18 | C19 | H191 | 81.2° | 1.8° |
| N7 | C12 | C11 | N6 | 0.0° | 0.1° |
| N7 | C12 | C11 | C13 | 180.0° | 179.8° |
| N7 | C12 | C11 | N5 | 179.7° | 180.0° |
| N7 | C12 | C13 | N9 | 0.5° | 0.3° |
| N7 | C12 | C13 | N4 | 179.8° | 179.9° |
| C12 | N7 | C14 | H14 | 179.8° | 180.0° |
| O8 | C19 | C18 | H192 | 120.4° | 120.0° |
| O8 | C19 | C18 | H191 | 120.4° | 120.1° |
| O8 | C19 | C18 | C15 | 73.0° | 119.9° |
| O8 | C19 | C18 | H18 | 162.0° | 1.0° |
| O8 | C19 | H192 | H191 | 118.9° | 120.0° |
| C19 | C18 | C15 | H18 | 124.9° | 120.8° |
| C19 | C18 | C15 | C16 | 160.8° | 131.5° |
| C19 | C18 | C15 | O7 | 80.0° | 109.6° |
| C19 | C18 | C15 | H15 | 45.0° | 12.6° |
| C18 | C19 | H192 | H191 | 118.9° | 120.0° |
| N6 | C17 | C16 | H17 | 120.1° | 121.0° |
| C17 | N6 | C11 | C12 | 179.6° | 180.0° |
| C17 | N6 | C11 | N5 | 0.1° | 0.1° |
| N6 | C17 | C16 | F6 | 143.9° | 107.3° |
| N6 | C17 | C16 | C15 | 100.2° | 133.8° |
| C17 | N6 | C14 | H14 | 0.5° | 0.1° |
| N6 | C17 | C16 | H16 | 18.3° | 14.9° |
| C11 | N6 | C17 | C16 | 58.1° | 84.9° |
| N6 | C11 | C12 | N5 | 179.8° | 179.9° |
| N6 | C11 | C12 | C13 | 180.0° | 179.7° |
| N6 | C11 | N5 | C10 | 179.5° | 180.0° |
| C11 | N6 | C14 | H14 | 179.8° | 180.0° |
| C11 | N6 | C17 | H17 | 61.8° | 36.0° |
| C17 | C16 | C15 | C18 | 38.6° | 1.3° |
| C17 | C16 | F6 | C15 | 110.1° | 115.6° |
| C17 | C16 | F6 | H16 | 124.0° | 122.2° |
| C17 | C16 | C15 | H16 | 118.4° | 118.9° |
| C17 | C16 | C15 | O7 | 160.3° | 117.6° |
| C17 | C16 | C15 | H15 | 77.1° | 120.3° |
| C11 | C12 | C13 | N9 | 179.5° | 180.0° |
| C11 | C12 | C13 | N4 | 0.1° | 0.2° |
| C12 | C11 | N5 | C10 | 0.1° | 0.0° |
| C13 | C12 | C11 | N5 | 0.2° | 0.2° |
| C12 | C13 | N9 | N4 | 179.7° | 179.8° |
| C12 | C13 | N4 | C10 | 0.3° | 0.0° |
| C12 | C13 | N9 | HN92 | 179.6° | 90.0° |
| C12 | C13 | N9 | HN9 | 60.3° | 150.0° |
| C12 | C13 | N9 | HN91 | 59.6° | 30.0° |
| C18 | C15 | C16 | F6 | 75.8° | 120.2° |
| C18 | C15 | C16 | O7 | 121.8° | 118.9° |
| C18 | C15 | C16 | H15 | 115.6° | 118.9° |
| C18 | C15 | O7 | H15 | 124.2° | 122.2° |
| C18 | C15 | O7 | P | 140.4° | 126.1° |
| C15 | C18 | C19 | H192 | 47.4° | 0.1° |
| C15 | C18 | C19 | H191 | 166.7° | 120.1° |
| C18 | C15 | C16 | H16 | 156.9° | 117.6° |
| O10 | C5 | C6 | C8 | 121.7° | 119.0° |
| O10 | C5 | C6 | H5 | 122.6° | 122.1° |
| O10 | C5 | C8 | H5 | 125.0° | 122.2° |
| O10 | C5 | C6 | F9 | 46.1° | 0.9° |
| O10 | C5 | C6 | C7 | 160.3° | 117.9° |
| O10 | C5 | C8 | C9 | 80.0° | 109.3° |
| O10 | C5 | C8 | O1 | 163.0° | 131.2° |
| O10 | C5 | C6 | H6 | 81.2° | 123.2° |
| O10 | C5 | C8 | H8 | 44.9° | 11.5° |
| C11 | N5 | C10 | N4 | 0.6° | 0.3° |
| C11 | N5 | C10 | H10 | 179.4° | 180.0° |
| N9 | C13 | N4 | C10 | 180.0° | 179.8° |
| C13 | N9 | HN92 | HN9 | 120.0° | 120.1° |
| C13 | N9 | HN92 | HN91 | 120.0° | 120.0° |
| C13 | N9 | HN9 | HN91 | 120.0° | 120.0° |
| C13 | N4 | C10 | N5 | 0.7° | 0.3° |
| C13 | N4 | C10 | H10 | 179.3° | 180.0° |
| N4 | C13 | N9 | HN92 | 0.0° | 89.8° |
| N4 | C13 | N9 | HN9 | 120.0° | 30.3° |
| N4 | C13 | N9 | HN91 | 120.0° | 150.3° |
| N5 | C10 | N4 | H10 | 180.0° | 179.7° |
| N | C | N1 | H | 180.0° | 179.4° |
| N | C | N1 | C1 | 0.6° | 0.4° |
| C | N | C3 | N11 | 179.9° | 179.6° |
| C | N | C3 | C2 | 0.2° | 0.5° |
| N1 | C | N | C3 | 0.7° | 0.6° |
| C | N1 | C1 | C2 | 0.1° | 0.1° |
| C | N1 | C1 | N2 | 179.5° | 179.7° |
| F6 | C16 | C15 | H16 | 127.3° | 122.2° |
| F6 | C16 | C15 | O7 | 46.0° | 1.3° |
| F6 | C16 | C15 | H15 | 168.6° | 120.9° |
| F6 | C16 | C17 | H17 | 23.7° | 13.6° |
| C16 | C15 | O7 | H15 | 121.8° | 122.2° |
| C16 | C15 | O7 | P | 105.6° | 118.3° |
| C15 | C16 | C17 | H17 | 139.7° | 105.2° |
| C16 | C15 | C18 | H18 | 74.2° | 107.6° |
| C6 | C5 | C8 | H5 | 115.8° | 118.9° |
| C5 | C6 | F9 | C7 | 110.0° | 115.6° |
| C5 | C6 | F9 | H6 | 125.9° | 122.2° |
| C5 | C6 | C7 | H6 | 118.5° | 118.9° |
| C6 | C5 | C8 | C9 | 160.9° | 131.8° |
| C6 | C5 | C8 | O1 | 43.9° | 12.3° |
| C5 | C6 | C7 | N2 | 100.2° | 133.5° |
| C5 | C6 | C7 | O1 | 19.7° | 14.0° |
| C5 | C6 | C7 | H7 | 139.8° | 105.6° |
| C6 | C5 | C8 | H8 | 74.2° | 107.4° |
| C8 | C5 | C6 | F9 | 75.7° | 119.9° |
| C8 | C5 | C6 | C7 | 38.6° | 1.0° |
| C5 | C8 | C9 | O1 | 112.1° | 118.3° |
| C5 | C8 | C9 | H8 | 125.0° | 120.8° |
| C5 | C8 | O1 | H8 | 116.9° | 119.6° |
| C5 | C8 | O1 | C7 | 32.7° | 22.0° |
| C5 | C8 | C9 | O2 | 73.4° | 120.3° |
| C8 | C5 | C6 | H6 | 157.0° | 117.9° |
| C5 | C8 | C9 | H91 | 166.2° | 0.3° |
| C5 | C8 | C9 | H92 | 47.0° | 119.6° |
| F9 | C6 | C7 | H6 | 125.7° | 122.2° |
| F9 | C6 | C7 | N2 | 144.0° | 107.7° |
| F9 | C6 | C7 | O1 | 96.1° | 132.8° |
| F9 | C6 | C5 | H5 | 168.7° | 121.1° |
| F9 | C6 | C7 | H7 | 24.0° | 13.3° |
| N | C3 | N11 | C2 | 179.7° | 180.0° |
| N | C3 | C2 | C1 | 0.2° | 0.0° |
| N | C3 | C2 | N3 | 179.9° | 180.0° |
| C3 | N | C | H | 179.3° | 180.0° |
| N | C3 | N11 | H111 | 0.0° | 90.0° |
| N | C3 | N11 | H113 | 120.0° | 30.0° |
| N | C3 | N11 | H112 | 120.0° | 150.0° |
| C15 | O7 | P | O2 | 60.0° | 111.8° |
| C15 | O7 | P | O | 59.2° | 8.2° |
| C15 | O7 | P | S3 | 178.6° | 128.2° |
| O7 | C15 | C18 | H18 | 44.9° | 11.3° |
| O7 | C15 | C16 | H16 | 81.3° | 123.5° |
| C6 | C7 | N2 | C1 | 57.9° | 85.0° |
| C6 | C7 | O1 | C8 | 8.6° | 22.7° |
| C6 | C7 | N2 | O1 | 116.1° | 118.1° |
| C6 | C7 | N2 | H7 | 119.9° | 120.9° |
| C6 | C7 | O1 | H7 | 119.3° | 119.5° |
| C6 | C7 | N2 | C4 | 122.2° | 95.0° |
| C7 | C6 | C5 | H5 | 77.1° | 120.0° |
| N1 | C1 | C2 | C3 | 0.3° | 0.2° |
| N1 | C1 | C2 | N2 | 179.7° | 179.7° |
| N1 | C1 | C2 | N3 | 179.8° | 179.7° |
| N1 | C1 | N2 | C7 | 0.0° | 0.3° |
| N1 | C1 | N2 | C4 | 179.9° | 179.7° |
| C1 | N1 | C | H | 179.4° | 179.7° |
| N11 | C3 | C2 | C1 | 179.4° | 180.0° |
| N11 | C3 | C2 | N3 | 0.4° | 0.1° |
| C3 | N11 | H111 | H113 | 120.0° | 120.0° |
| C3 | N11 | H111 | H112 | 120.0° | 120.0° |
| C3 | N11 | H113 | H112 | 120.0° | 120.0° |
| C3 | C2 | C1 | N3 | 179.9° | 179.9° |
| C3 | C2 | C1 | N2 | 180.0° | 179.9° |
| C3 | C2 | N3 | C4 | 179.7° | 179.9° |
| C2 | C3 | N11 | H111 | 179.7° | 90.0° |
| C2 | C3 | N11 | H113 | 60.3° | 150.1° |
| C2 | C3 | N11 | H112 | 59.7° | 30.1° |
| C2 | C1 | N2 | C7 | 179.6° | 180.0° |
| C2 | C1 | N2 | C4 | 0.3° | 0.0° |
| C1 | C2 | N3 | C4 | 0.1° | 0.0° |
| N2 | C1 | C2 | N3 | 0.1° | 0.0° |
| C1 | N2 | C7 | C4 | 179.9° | 180.0° |
| C1 | N2 | C7 | O1 | 174.1° | 156.9° |
| C1 | N2 | C4 | N3 | 0.4° | 0.0° |
| C1 | N2 | C4 | H4 | 179.6° | 180.0° |
| C1 | N2 | C7 | H7 | 61.9° | 35.9° |
| O7 | P | O2 | C9 | 60.9° | 123.5° |
| O7 | P | O2 | O | 113.3° | 120.0° |
| O7 | P | O2 | S3 | 119.3° | 120.0° |
| O7 | P | O | S3 | 114.8° | 120.0° |
| P | O7 | C15 | H15 | 16.2° | 3.9° |
| O7 | P | S3 | HS3 | 111.7° | 180.0° |
| C9 | C8 | O1 | H8 | 121.8° | 120.8° |
| C9 | C8 | O1 | C7 | 154.0° | 141.6° |
| C8 | C9 | O2 | H91 | 120.4° | 120.0° |
| C8 | C9 | O2 | H92 | 120.4° | 120.0° |
| C8 | C9 | O2 | P | 177.4° | 150.9° |
| C9 | C8 | C5 | H5 | 45.0° | 12.9° |
| C8 | C9 | H91 | H92 | 118.8° | 119.9° |
| C8 | O1 | C7 | N2 | 125.9° | 142.2° |
| O1 | C8 | C9 | O2 | 38.7° | 121.3° |
| O1 | C8 | C5 | H5 | 72.0° | 106.6° |
| C8 | O1 | C7 | H7 | 110.7° | 96.9° |
| O1 | C8 | C9 | H91 | 81.7° | 118.6° |
| O1 | C8 | C9 | H92 | 159.0° | 1.3° |
| C2 | N3 | C4 | N2 | 0.3° | 0.0° |
| C2 | N3 | C4 | H4 | 179.7° | 180.0° |
| N2 | C7 | O1 | H7 | 123.5° | 120.9° |
| C7 | N2 | C4 | N3 | 179.5° | 180.0° |
| C7 | N2 | C4 | H4 | 0.5° | 0.0° |
| N2 | C7 | C6 | H6 | 18.4° | 14.6° |
| O1 | C7 | N2 | C4 | 6.1° | 23.1° |
| O1 | C7 | C6 | H6 | 138.2° | 105.0° |
| C7 | O1 | C8 | H8 | 84.2° | 97.6° |
| C9 | O2 | P | O | 174.2° | 3.5° |
| C9 | O2 | P | S3 | 58.4° | 116.5° |
| O2 | C9 | C8 | H8 | 161.6° | 0.5° |
| O2 | C9 | H91 | H92 | 118.8° | 120.0° |
| N2 | C4 | N3 | H4 | 180.0° | 180.0° |
| C4 | N2 | C7 | H7 | 117.9° | 144.0° |
| O2 | P | O | S3 | 125.9° | 120.0° |
| P | O2 | C9 | H91 | 62.2° | 30.9° |
| P | O2 | C9 | H92 | 57.0° | 89.1° |
| O2 | P | S3 | HS3 | 126.4° | 60.0° |
| O | P | S3 | HS3 | 0.0° | 60.0° |
| H5 | C5 | C6 | H6 | 41.4° | 1.1° |
| H5 | C5 | C8 | H8 | 170.0° | 133.7° |
| H6 | C6 | C7 | H7 | 101.7° | 135.5° |
| H8 | C8 | C9 | H91 | 41.2° | 120.5° |
| H8 | C8 | C9 | H92 | 78.1° | 119.6° |
| H15 | C15 | C18 | H18 | 170.0° | 133.4° |
| H15 | C15 | C16 | H16 | 41.3° | 1.4° |
| H17 | C17 | C16 | H16 | 101.8° | 135.8° |
| H18 | C18 | C19 | H192 | 77.6° | 120.9° |
| H18 | C18 | C19 | H191 | 41.7° | 119.1° |
| H111 | N11 | H113 | H112 | 120.0° | 120.0° |
| HN92 | N9 | HN9 | HN91 | 120.0° | 119.9° |
