06S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | P | sing | 2.12Å | 2.07Å | |
| O5 | P | doub | 1.48Å | 1.51Å | |
| P | O4 | sing | 1.61Å | 1.55Å | |
| P | O1 | sing | 1.61Å | 1.61Å | |
| N5 | C13 | sing | 1.37Å | 1.34Å | |
| S1 | P1 | sing | 2.12Å | 2.05Å | |
| C4 | O1 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| N3 | C13 | doub | 1.32Å | 1.32Å | |
| N3 | C12 | sing | 1.34Å | 1.33Å | |
| C13 | N2 | sing | 1.36Å | 1.33Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| C2 | C1 | sing | 1.55Å | 1.51Å | |
| C2 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | O | sing | 1.44Å | 1.44Å | |
| O13 | C12 | doub | 1.22Å | 1.23Å | |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.55Å | 1.52Å | |
| C12 | C10 | sing | 1.47Å | 1.35Å | |
| P1 | O3 | sing | 1.61Å | 1.58Å | |
| P1 | O10 | doub | 1.48Å | 1.47Å | |
| P1 | O7 | sing | 1.61Å | 1.61Å | |
| N2 | C11 | sing | 1.37Å | 1.36Å | |
| C16 | C15 | doub | 1.35Å | 1.38Å | |
| C16 | N | sing | 1.37Å | 1.34Å | |
| O | C | sing | 1.44Å | 1.44Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | N4 | sing | 1.35Å | 1.34Å | Aromatic |
| O7 | C9 | sing | 1.43Å | 1.43Å | |
| C11 | N1 | sing | 1.36Å | 1.33Å | Aromatic |
| C | N | sing | 1.46Å | 1.44Å | |
| C15 | C17 | sing | 1.42Å | 1.39Å | |
| N | C18 | sing | 1.35Å | 1.41Å | |
| C6 | O8 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.55Å | 1.50Å | |
| C6 | C5 | sing | 1.55Å | 1.52Å | |
| N4 | C14 | doub | 1.30Å | 1.36Å | Aromatic |
| O11 | P2 | doub | 1.48Å | 1.52Å | |
| C7 | O9 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.55Å | 1.54Å | |
| N1 | C5 | sing | 1.46Å | 1.45Å | |
| N1 | C14 | sing | 1.36Å | 1.35Å | Aromatic |
| C17 | O14 | doub | 1.22Å | 1.23Å | |
| C17 | N6 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C18 | N6 | sing | 1.35Å | 1.35Å | |
| C18 | O15 | doub | 1.22Å | 1.24Å | |
| C5 | O6 | sing | 1.44Å | 1.43Å | |
| O9 | P2 | sing | 1.61Å | 1.61Å | |
| C8 | O6 | sing | 1.44Å | 1.44Å | |
| P2 | O12 | sing | 1.61Å | 1.51Å | |
| P2 | S2 | sing | 2.12Å | 2.09Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| N5 | H2 | sing | 0.97Å | 1.00Å | |
| N5 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O8 | H7 | sing | 0.97Å | 0.95Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| S2 | H9 | sing | 1.34Å | 1.30Å | |
| O12 | H10 | sing | 0.97Å | 0.95Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| S1 | H14 | sing | 1.35Å | 1.30Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| S | H19 | sing | 1.35Å | 1.30Å | |
| O4 | H20 | sing | 0.97Å | 0.95Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C15 | H25 | sing | 1.08Å | 1.08Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S | P | O5 | 104.0° | 109.5° |
| S | P | O4 | 109.7° | 109.4° |
| S | P | O1 | 111.1° | 109.5° |
| P | S | H19 | 102.0° | 103.0° |
| O5 | P | O4 | 120.5° | 109.5° |
| O5 | P | O1 | 106.0° | 109.4° |
| O4 | P | O1 | 105.5° | 109.5° |
| P | O4 | H20 | 109.5° | 114.0° |
| P | O1 | C4 | 125.7° | 123.0° |
| N5 | C13 | N3 | 119.1° | 118.8° |
| N5 | C13 | N2 | 120.8° | 118.7° |
| C13 | N5 | H2 | 120.0° | 120.0° |
| C13 | N5 | H3 | 120.0° | 120.0° |
| S1 | P1 | O3 | 111.2° | 109.5° |
| S1 | P1 | O10 | 110.7° | 109.5° |
| S1 | P1 | O7 | 109.7° | 109.5° |
| P1 | S1 | H14 | 102.0° | 103.0° |
| O1 | C4 | C3 | 109.6° | 109.4° |
| O1 | C4 | H17 | 109.5° | 109.4° |
| O1 | C4 | H18 | 109.4° | 109.5° |
| C4 | C3 | C2 | 112.6° | 109.9° |
| C4 | C3 | O | 111.5° | 109.9° |
| C4 | C3 | H16 | 109.1° | 110.0° |
| C3 | C4 | H17 | 109.4° | 109.5° |
| C3 | C4 | H18 | 109.4° | 109.5° |
| C13 | N3 | C12 | 122.1° | 121.4° |
| N3 | C13 | N2 | 120.1° | 122.5° |
| N3 | C12 | O13 | 120.2° | 120.7° |
| N3 | C12 | C10 | 119.9° | 118.6° |
| C13 | N2 | C11 | 119.2° | 120.5° |
| C13 | N2 | H4 | 120.4° | 119.8° |
| C3 | C2 | C1 | 102.3° | 104.2° |
| C3 | C2 | O3 | 110.9° | 110.5° |
| C2 | C3 | O | 103.8° | 107.3° |
| C3 | C2 | H15 | 111.8° | 110.4° |
| C2 | C3 | H16 | 109.3° | 109.9° |
| C1 | C2 | O3 | 105.8° | 110.5° |
| C2 | C1 | O2 | 111.9° | 110.9° |
| C2 | C1 | C | 99.6° | 102.1° |
| C1 | C2 | H15 | 112.0° | 110.5° |
| C2 | C1 | H21 | 110.7° | 110.9° |
| C2 | O3 | P1 | 124.8° | 123.0° |
| O3 | C2 | H15 | 113.3° | 110.5° |
| C3 | O | C | 109.3° | 106.9° |
| O | C3 | H16 | 110.3° | 109.8° |
| O13 | C12 | C10 | 119.8° | 120.7° |
| O2 | C1 | C | 111.6° | 110.9° |
| O2 | C1 | H21 | 111.8° | 110.8° |
| C1 | O2 | H22 | 109.5° | 114.0° |
| C1 | C | O | 105.7° | 103.5° |
| C1 | C | N | 110.2° | 110.6° |
| C | C1 | H21 | 110.6° | 111.0° |
| C1 | C | H23 | 108.4° | 110.6° |
| C12 | C10 | C11 | 117.9° | 118.1° |
| C12 | C10 | N4 | 133.2° | 134.5° |
| O3 | P1 | O10 | 109.4° | 109.5° |
| O3 | P1 | O7 | 106.5° | 109.4° |
| O10 | P1 | O7 | 109.3° | 109.4° |
| P1 | O7 | C9 | 121.8° | 123.0° |
| N2 | C11 | C10 | 120.7° | 118.9° |
| N2 | C11 | N1 | 132.3° | 134.7° |
| C11 | N2 | H4 | 120.4° | 119.7° |
| C15 | C16 | N | 119.8° | 119.7° |
| C16 | C15 | C17 | 118.9° | 119.1° |
| C15 | C16 | H24 | 120.1° | 120.1° |
| C16 | C15 | H25 | 120.6° | 120.4° |
| C16 | N | C | 120.7° | 119.7° |
| C16 | N | C18 | 120.2° | 120.6° |
| N | C16 | H24 | 120.1° | 120.2° |
| O | C | N | 113.4° | 110.6° |
| O | C | H23 | 109.5° | 110.7° |
| C11 | C10 | N4 | 108.9° | 107.4° |
| C10 | C11 | N1 | 107.0° | 106.4° |
| C10 | N4 | C14 | 106.5° | 109.2° |
| O7 | C9 | C8 | 111.9° | 109.5° |
| O7 | C9 | H12 | 108.9° | 109.5° |
| O7 | C9 | H13 | 108.9° | 109.4° |
| C11 | N1 | C5 | 124.3° | 126.2° |
| C11 | N1 | C14 | 108.6° | 107.5° |
| C | N | C18 | 119.1° | 119.7° |
| N | C | H23 | 109.4° | 110.6° |
| C15 | C17 | O14 | 119.5° | 120.3° |
| C15 | C17 | N6 | 121.4° | 119.4° |
| C17 | C15 | H25 | 120.5° | 120.4° |
| N | C18 | N6 | 120.3° | 120.9° |
| N | C18 | O15 | 120.0° | 119.5° |
| O8 | C6 | C7 | 112.3° | 110.5° |
| O8 | C6 | C5 | 110.8° | 110.5° |
| O8 | C6 | H6 | 110.8° | 110.5° |
| C6 | O8 | H7 | 109.5° | 114.0° |
| C7 | C6 | C5 | 103.2° | 104.1° |
| C6 | C7 | O9 | 104.3° | 110.5° |
| C6 | C7 | C8 | 104.9° | 104.1° |
| C7 | C6 | H6 | 109.8° | 110.7° |
| C6 | C7 | H8 | 110.9° | 110.5° |
| C6 | C5 | N1 | 111.1° | 110.4° |
| C6 | C5 | O6 | 105.5° | 104.8° |
| C6 | C5 | H5 | 109.0° | 110.5° |
| C5 | C6 | H6 | 109.7° | 110.5° |
| N4 | C14 | N1 | 109.0° | 109.5° |
| N4 | C14 | H1 | 125.5° | 125.3° |
| O11 | P2 | O9 | 108.3° | 109.5° |
| O11 | P2 | O12 | 118.7° | 109.5° |
| O11 | P2 | S2 | 107.5° | 109.4° |
| O9 | C7 | C8 | 113.7° | 110.5° |
| C7 | O9 | P2 | 125.9° | 123.0° |
| O9 | C7 | H8 | 112.2° | 110.5° |
| C7 | C8 | C9 | 115.5° | 110.4° |
| C7 | C8 | O6 | 106.8° | 104.8° |
| C8 | C7 | H8 | 110.4° | 110.6° |
| C7 | C8 | H11 | 107.9° | 110.4° |
| C5 | N1 | C14 | 127.1° | 126.2° |
| N1 | C5 | O6 | 111.2° | 110.3° |
| N1 | C5 | H5 | 109.8° | 110.4° |
| N1 | C14 | H1 | 125.5° | 125.2° |
| O14 | C17 | N6 | 119.1° | 120.3° |
| C17 | N6 | C18 | 119.4° | 120.3° |
| C17 | N6 | H26 | 120.3° | 119.8° |
| C9 | C8 | O6 | 109.1° | 110.4° |
| C9 | C8 | H11 | 108.1° | 110.4° |
| C8 | C9 | H12 | 108.9° | 109.5° |
| C8 | C9 | H13 | 108.9° | 109.5° |
| N6 | C18 | O15 | 119.8° | 119.5° |
| C18 | N6 | H26 | 120.3° | 119.9° |
| C5 | O6 | C8 | 106.9° | 105.3° |
| O6 | C5 | H5 | 110.2° | 110.4° |
| O9 | P2 | O12 | 101.9° | 109.5° |
| O9 | P2 | S2 | 111.4° | 109.5° |
| O6 | C8 | H11 | 109.3° | 110.4° |
| O12 | P2 | S2 | 108.9° | 109.4° |
| P2 | O12 | H10 | 109.5° | 114.0° |
| P2 | S2 | H9 | 102.0° | 103.0° |
| H2 | N5 | H3 | 120.0° | 120.0° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H17 | C4 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | P | O5 | O4 | 123.3° | 120.0° |
| S | P | O5 | O1 | 117.2° | 120.0° |
| S | P | O4 | O1 | 119.7° | 120.0° |
| S | P | O1 | C4 | 22.4° | 65.0° |
| S | P | O4 | H20 | 120.5° | 60.1° |
| O5 | P | O4 | O1 | 119.8° | 120.0° |
| O5 | P | O1 | C4 | 90.0° | 55.0° |
| O5 | P | S | H19 | 0.0° | 180.0° |
| O5 | P | O4 | H20 | 0.0° | 59.9° |
| O4 | P | O1 | C4 | 141.2° | 175.0° |
| O4 | P | S | H19 | 130.1° | 60.0° |
| P | O1 | C4 | C3 | 178.8° | 180.0° |
| P | O1 | C4 | H17 | 58.8° | 60.0° |
| P | O1 | C4 | H18 | 61.2° | 60.0° |
| O1 | P | S | H19 | 113.7° | 60.0° |
| O1 | P | O4 | H20 | 119.8° | 179.9° |
| N5 | C13 | N3 | N2 | 178.7° | 179.9° |
| N5 | C13 | N3 | C12 | 179.9° | 180.0° |
| N5 | C13 | N2 | C11 | 179.7° | 179.7° |
| C13 | N5 | H2 | H3 | 180.0° | 180.0° |
| N5 | C13 | N2 | H4 | 0.2° | 0.1° |
| S1 | P1 | O3 | C2 | 31.8° | 65.0° |
| S1 | P1 | O3 | O10 | 122.6° | 120.0° |
| S1 | P1 | O3 | O7 | 119.4° | 120.0° |
| S1 | P1 | O10 | O7 | 120.9° | 120.0° |
| S1 | P1 | O7 | C9 | 159.2° | 64.9° |
| O1 | C4 | C3 | H17 | 120.0° | 120.0° |
| O1 | C4 | C3 | H18 | 120.0° | 120.0° |
| O1 | C4 | C3 | C2 | 123.4° | 175.0° |
| O1 | C4 | C3 | O | 7.1° | 67.2° |
| O1 | C4 | C3 | H16 | 115.1° | 53.9° |
| O1 | C4 | H17 | H18 | 120.0° | 120.0° |
| C4 | C3 | C2 | O | 120.8° | 119.4° |
| C4 | C3 | C2 | H16 | 121.4° | 121.2° |
| C4 | C3 | C2 | C1 | 85.4° | 121.4° |
| C4 | C3 | C2 | O3 | 162.1° | 119.8° |
| C4 | C3 | O | H16 | 121.4° | 121.2° |
| C4 | C3 | O | C | 108.8° | 145.9° |
| C4 | C3 | C2 | H15 | 34.6° | 2.8° |
| C3 | C4 | H17 | H18 | 119.9° | 120.1° |
| C13 | N3 | C12 | O13 | 178.3° | 179.9° |
| C13 | N3 | C12 | C10 | 0.7° | 0.3° |
| N3 | C13 | N2 | C11 | 1.6° | 0.2° |
| N3 | C13 | N5 | H2 | 0.0° | 0.1° |
| N3 | C13 | N5 | H3 | 180.0° | 180.0° |
| N3 | C13 | N2 | H4 | 178.4° | 180.0° |
| C12 | N3 | C13 | N2 | 1.3° | 0.1° |
| N3 | C12 | O13 | C10 | 179.0° | 179.8° |
| N3 | C12 | C10 | C11 | 0.5° | 0.2° |
| N3 | C12 | C10 | N4 | 178.3° | 179.7° |
| C13 | N2 | C11 | H4 | 180.0° | 179.8° |
| C13 | N2 | C11 | C10 | 1.5° | 0.2° |
| C13 | N2 | C11 | N1 | 179.2° | 179.7° |
| N2 | C13 | N5 | H2 | 178.7° | 180.0° |
| N2 | C13 | N5 | H3 | 1.4° | 0.0° |
| C3 | C2 | C1 | O3 | 116.1° | 118.7° |
| C3 | C2 | C1 | H15 | 119.9° | 118.6° |
| C3 | C2 | O3 | H15 | 126.7° | 122.5° |
| C2 | C3 | O | H16 | 117.1° | 119.4° |
| C3 | C2 | C1 | O2 | 161.1° | 139.1° |
| C3 | C2 | C1 | C | 43.0° | 20.9° |
| C3 | C2 | O3 | P1 | 68.7° | 120.0° |
| C2 | C3 | O | C | 12.7° | 26.5° |
| C2 | C3 | C4 | H17 | 3.3° | 55.1° |
| C2 | C3 | C4 | H18 | 116.6° | 65.0° |
| C3 | C2 | C1 | H21 | 73.4° | 97.4° |
| C1 | C2 | O3 | H15 | 123.1° | 122.7° |
| C1 | C2 | C3 | O | 35.4° | 2.0° |
| C2 | C1 | O2 | C | 110.6° | 112.7° |
| C2 | C1 | O2 | H21 | 124.9° | 123.6° |
| C2 | C1 | C | H21 | 116.5° | 118.2° |
| C1 | C2 | O3 | P1 | 178.9° | 125.2° |
| C2 | C1 | C | O | 36.0° | 37.1° |
| C2 | C1 | C | N | 158.9° | 155.6° |
| C1 | C2 | C3 | H16 | 153.2° | 117.4° |
| C2 | C1 | O2 | H22 | 180.0° | 180.0° |
| C2 | C1 | C | H23 | 81.3° | 81.5° |
| O3 | C2 | C3 | O | 77.0° | 120.7° |
| O3 | C2 | C1 | O2 | 44.9° | 20.4° |
| O3 | C2 | C1 | C | 73.2° | 97.8° |
| C2 | O3 | P1 | O10 | 154.4° | 55.0° |
| C2 | O3 | P1 | O7 | 87.6° | 175.0° |
| O3 | C2 | C3 | H16 | 40.7° | 1.4° |
| O3 | C2 | C1 | H21 | 170.4° | 143.9° |
| C3 | O | C | C1 | 14.8° | 40.1° |
| C3 | O | C | N | 135.7° | 158.6° |
| O | C3 | C2 | H15 | 155.4° | 116.7° |
| O | C3 | C4 | H17 | 113.0° | 172.9° |
| O | C3 | C4 | H18 | 127.1° | 52.8° |
| C3 | O | C | H23 | 101.8° | 78.4° |
| O13 | C12 | C10 | C11 | 178.5° | 180.0° |
| O13 | C12 | C10 | N4 | 2.6° | 0.1° |
| O2 | C1 | C | H21 | 125.2° | 123.6° |
| O2 | C1 | C | O | 154.3° | 155.3° |
| O2 | C1 | C | N | 82.8° | 86.3° |
| O2 | C1 | C2 | H15 | 79.0° | 102.3° |
| O2 | C1 | C | H23 | 37.0° | 36.7° |
| C1 | C | N | C16 | 67.3° | 60.8° |
| C1 | C | O | N | 120.9° | 118.5° |
| C1 | C | O | H23 | 116.6° | 118.5° |
| C1 | C | N | H23 | 119.2° | 122.9° |
| C1 | C | N | C18 | 111.5° | 119.5° |
| C | C1 | C2 | H15 | 162.9° | 139.5° |
| C | C1 | O2 | H22 | 69.4° | 67.3° |
| C12 | C10 | C11 | N2 | 0.9° | 0.0° |
| C12 | C10 | C11 | N4 | 179.1° | 179.9° |
| C12 | C10 | C11 | N1 | 179.6° | 179.9° |
| C12 | C10 | N4 | C14 | 179.7° | 179.9° |
| O3 | P1 | O10 | O7 | 116.2° | 119.9° |
| O3 | P1 | O7 | C9 | 80.4° | 175.0° |
| O3 | P1 | S1 | H14 | 121.8° | 59.9° |
| P1 | O3 | C2 | H15 | 57.9° | 2.6° |
| O10 | P1 | O7 | C9 | 37.7° | 55.0° |
| O10 | P1 | S1 | H14 | 0.0° | 180.0° |
| P1 | O7 | C9 | C8 | 149.2° | 180.0° |
| P1 | O7 | C9 | H12 | 90.5° | 60.0° |
| P1 | O7 | C9 | H13 | 28.8° | 60.0° |
| O7 | P1 | S1 | H14 | 120.7° | 60.0° |
| N2 | C11 | C10 | N1 | 179.5° | 180.0° |
| N2 | C11 | C10 | N4 | 178.2° | 180.0° |
| N2 | C11 | N1 | C5 | 0.8° | 0.1° |
| N2 | C11 | N1 | C14 | 178.8° | 180.0° |
| C15 | C16 | N | H24 | 180.0° | 180.0° |
| C15 | C16 | N | C | 178.9° | 180.0° |
| C16 | C15 | C17 | H25 | 180.0° | 180.0° |
| C15 | C16 | N | C18 | 0.2° | 0.3° |
| C16 | C15 | C17 | O14 | 179.1° | 179.9° |
| C16 | C15 | C17 | N6 | 0.3° | 0.3° |
| C16 | N | C | O | 51.0° | 53.2° |
| C16 | N | C | C18 | 178.7° | 179.7° |
| N | C16 | C15 | C17 | 0.0° | 0.0° |
| C16 | N | C18 | N6 | 0.1° | 0.3° |
| C16 | N | C18 | O15 | 179.5° | 179.7° |
| C16 | N | C | H23 | 173.6° | 176.3° |
| N | C16 | C15 | H25 | 180.0° | 180.0° |
| O | C | N | H23 | 122.6° | 123.0° |
| O | C | N | C18 | 130.2° | 126.4° |
| C | O | C3 | H16 | 129.8° | 92.9° |
| O | C | C1 | H21 | 80.5° | 81.2° |
| C11 | C10 | N4 | C14 | 1.4° | 0.0° |
| C10 | C11 | N1 | C5 | 178.6° | 179.9° |
| C10 | C11 | N1 | C14 | 0.6° | 0.0° |
| C10 | C11 | N2 | H4 | 178.6° | 179.9° |
| N4 | C10 | C11 | N1 | 1.3° | 0.0° |
| C10 | N4 | C14 | N1 | 1.0° | 0.0° |
| C10 | N4 | C14 | H1 | 179.0° | 179.9° |
| O7 | C9 | C8 | C7 | 29.2° | 175.0° |
| O7 | C9 | C8 | H12 | 120.4° | 120.0° |
| O7 | C9 | C8 | H13 | 120.3° | 120.0° |
| O7 | C9 | C8 | O6 | 91.0° | 69.6° |
| O7 | C9 | C8 | H11 | 150.2° | 52.7° |
| O7 | C9 | H12 | H13 | 118.9° | 120.0° |
| C11 | N1 | C5 | C6 | 56.0° | 88.2° |
| C11 | N1 | C14 | N4 | 0.2° | 0.0° |
| C11 | N1 | C5 | C14 | 177.6° | 179.9° |
| C11 | N1 | C5 | O6 | 61.2° | 156.5° |
| C11 | N1 | C14 | H1 | 179.8° | 179.9° |
| N1 | C11 | N2 | H4 | 0.8° | 0.1° |
| C11 | N1 | C5 | H5 | 176.6° | 34.2° |
| C | N | C18 | N6 | 178.9° | 180.0° |
| C | N | C18 | O15 | 0.8° | 0.1° |
| N | C | C1 | H21 | 42.4° | 37.3° |
| C | N | C16 | H24 | 1.1° | 0.0° |
| C15 | C17 | O14 | N6 | 178.9° | 179.6° |
| C15 | C17 | N6 | C18 | 0.3° | 0.3° |
| C17 | C15 | C16 | H24 | 180.0° | 180.0° |
| C15 | C17 | N6 | H26 | 179.7° | 179.6° |
| N | C18 | N6 | C17 | 0.1° | 0.0° |
| N | C18 | N6 | O15 | 179.7° | 180.0° |
| C18 | N | C | H23 | 7.7° | 3.4° |
| C18 | N | C16 | H24 | 179.8° | 179.7° |
| N | C18 | N6 | H26 | 179.9° | 180.0° |
| O8 | C6 | C7 | C5 | 119.3° | 118.6° |
| O8 | C6 | C7 | H6 | 123.8° | 122.7° |
| O8 | C6 | C5 | H6 | 122.6° | 122.6° |
| O8 | C6 | C7 | O9 | 19.4° | 0.0° |
| O8 | C6 | C7 | C8 | 139.2° | 118.6° |
| O8 | C6 | C5 | N1 | 84.9° | 98.6° |
| O8 | C6 | C5 | O6 | 154.5° | 142.6° |
| O8 | C6 | C5 | H5 | 36.2° | 23.8° |
| O8 | C6 | C7 | H8 | 101.6° | 122.6° |
| C7 | C6 | C5 | H6 | 117.0° | 118.8° |
| C6 | C7 | O9 | C8 | 113.7° | 114.7° |
| C6 | C7 | O9 | H8 | 120.1° | 122.6° |
| C6 | C7 | C8 | H8 | 119.5° | 118.7° |
| C7 | C6 | C5 | N1 | 154.7° | 142.8° |
| C6 | C7 | C8 | C9 | 121.9° | 142.8° |
| C7 | C6 | C5 | O6 | 34.1° | 24.0° |
| C6 | C7 | O9 | P2 | 168.8° | 121.4° |
| C6 | C7 | C8 | O6 | 0.4° | 24.0° |
| C7 | C6 | C5 | H5 | 84.2° | 94.9° |
| C7 | C6 | O8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | H11 | 117.0° | 94.9° |
| C5 | C6 | C7 | O9 | 100.0° | 118.6° |
| C5 | C6 | C7 | C8 | 19.9° | 0.0° |
| C6 | C5 | N1 | O6 | 117.1° | 115.4° |
| C6 | C5 | N1 | H5 | 120.7° | 122.4° |
| C6 | C5 | N1 | C14 | 126.4° | 91.8° |
| C6 | C5 | O6 | H5 | 117.5° | 118.9° |
| C6 | C5 | O6 | C8 | 35.5° | 40.5° |
| C5 | C6 | O8 | H7 | 65.2° | 65.4° |
| C5 | C6 | C7 | H8 | 139.1° | 118.8° |
| N4 | C14 | N1 | C5 | 177.7° | 180.0° |
| N4 | C14 | N1 | H1 | 180.0° | 180.0° |
| O11 | P2 | O9 | C7 | 61.9° | 55.0° |
| O11 | P2 | O9 | O12 | 126.0° | 120.0° |
| O11 | P2 | O9 | S2 | 118.1° | 120.0° |
| O11 | P2 | O12 | S2 | 123.4° | 119.9° |
| O11 | P2 | S2 | H9 | 0.0° | 60.0° |
| O11 | P2 | O12 | H10 | 0.0° | 180.0° |
| O9 | C7 | C8 | H8 | 127.1° | 122.7° |
| O9 | C7 | C8 | C9 | 124.7° | 98.5° |
| O9 | C7 | C8 | O6 | 113.8° | 142.6° |
| C7 | O9 | P2 | O12 | 172.1° | 175.0° |
| C7 | O9 | P2 | S2 | 56.1° | 65.0° |
| O9 | C7 | C6 | H6 | 143.1° | 122.7° |
| O9 | C7 | C8 | H11 | 3.6° | 23.8° |
| C7 | C8 | C9 | O6 | 120.2° | 115.4° |
| C7 | C8 | C9 | H11 | 121.0° | 122.3° |
| C7 | C8 | O6 | C5 | 22.2° | 40.5° |
| C8 | C7 | O9 | P2 | 77.5° | 123.9° |
| C7 | C8 | O6 | H11 | 116.5° | 118.8° |
| C8 | C7 | C6 | H6 | 97.0° | 118.7° |
| C7 | C8 | C9 | H12 | 91.1° | 55.0° |
| C7 | C8 | C9 | H13 | 149.6° | 65.0° |
| N1 | C5 | O6 | H5 | 122.0° | 122.2° |
| N1 | C5 | O6 | C8 | 156.0° | 159.3° |
| C5 | N1 | C14 | H1 | 2.3° | 0.0° |
| N1 | C5 | C6 | H6 | 37.7° | 24.0° |
| C14 | N1 | C5 | O6 | 116.4° | 23.6° |
| C14 | N1 | C5 | H5 | 5.8° | 145.8° |
| O14 | C17 | N6 | C18 | 179.2° | 180.0° |
| O14 | C17 | C15 | H25 | 0.9° | 0.0° |
| O14 | C17 | N6 | H26 | 0.8° | 0.0° |
| C17 | N6 | C18 | H26 | 180.0° | 180.0° |
| C17 | N6 | C18 | O15 | 179.8° | 179.9° |
| N6 | C17 | C15 | H25 | 179.7° | 179.7° |
| C9 | C8 | O6 | C5 | 147.6° | 159.4° |
| C9 | C8 | O6 | H11 | 118.0° | 122.3° |
| C9 | C8 | C7 | H8 | 2.4° | 24.2° |
| C8 | C9 | H12 | H13 | 118.9° | 120.0° |
| O15 | C18 | N6 | H26 | 0.2° | 0.1° |
| O6 | C5 | C6 | H6 | 82.9° | 94.8° |
| C5 | O6 | C8 | H11 | 94.3° | 78.3° |
| O9 | P2 | O12 | S2 | 117.8° | 120.0° |
| P2 | O9 | C7 | H8 | 48.7° | 1.2° |
| O9 | P2 | S2 | H9 | 118.5° | 180.0° |
| O9 | P2 | O12 | H10 | 118.8° | 60.0° |
| C8 | O6 | C5 | H5 | 82.0° | 78.4° |
| O6 | C8 | C7 | H8 | 119.1° | 94.7° |
| O6 | C8 | C9 | H12 | 148.6° | 170.4° |
| O6 | C8 | C9 | H13 | 29.3° | 50.4° |
| O12 | P2 | S2 | H9 | 129.9° | 59.9° |
| S2 | P2 | O12 | H10 | 123.4° | 60.0° |
| H5 | C5 | C6 | H6 | 158.8° | 146.3° |
| H6 | C6 | O8 | H7 | 56.7° | 57.2° |
| H6 | C6 | C7 | H8 | 22.2° | 0.1° |
| H8 | C7 | C8 | H11 | 123.5° | 146.5° |
| H11 | C8 | C9 | H12 | 29.9° | 67.3° |
| H11 | C8 | C9 | H13 | 89.4° | 172.7° |
| H15 | C2 | C3 | H16 | 86.8° | 124.0° |
| H15 | C2 | C1 | H21 | 46.5° | 21.2° |
| H16 | C3 | C4 | H17 | 124.9° | 66.1° |
| H16 | C3 | C4 | H18 | 4.9° | 173.9° |
| H21 | C1 | O2 | H22 | 55.1° | 56.4° |
| H21 | C1 | C | H23 | 162.2° | 160.2° |
| H24 | C16 | C15 | H25 | 0.0° | 0.0° |
