PRD_001078
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C3 | S1 | sing | 1.81Å | 1.82Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| S1 | H5 | sing | 1.35Å | 1.30Å | |
| N1 | C4 | sing | 1.47Å | 1.45Å | |
| N1 | H6 | sing | 1.01Å | 1.00Å | |
| N1 | H7 | sing | 1.01Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | O2 | doub | 1.21Å | 1.22Å | |
| C6 | N2 | sing | 1.46Å | 1.45Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | C7 | sing | 1.46Å | 1.47Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C12 | sing | 1.51Å | 1.50Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | N4 | sing | 1.47Å | 1.47Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | C11 | sing | 1.37Å | 1.34Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C11 | N5 | sing | 1.33Å | 1.27Å | |
| C11 | N6 | doub | 1.33Å | 1.33Å | |
| N5 | H21 | sing | 0.97Å | 1.00Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| C12 | O3 | doub | 1.21Å | 1.22Å | |
| N7 | C13 | sing | 1.46Å | 1.45Å | |
| N7 | H25 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | O4 | doub | 1.21Å | 1.23Å | |
| N8 | C15 | sing | 1.46Å | 1.48Å | |
| N8 | H28 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | O5 | doub | 1.21Å | 1.22Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | H32 | sing | 1.08Å | 1.08Å | |
| C20 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H33 | sing | 1.08Å | 1.08Å | |
| C21 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H34 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | H35 | sing | 1.08Å | 1.08Å | |
| C23 | H36 | sing | 1.08Å | 1.08Å | |
| N9 | H37 | sing | 0.97Å | 1.00Å | |
| N9 | H38 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C5 | N3 | sing | 1.35Å | 1.32Å | |
| C12 | N7 | sing | 1.35Å | 1.33Å | |
| C14 | N8 | sing | 1.35Å | 1.34Å | |
| C16 | N9 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | O1 | 120.5° | 120.0° |
| C1 | C2 | N2 | 116.5° | 120.0° |
| C3 | C1 | H1 | 109.5° | 109.5° |
| C3 | C1 | H2 | 109.5° | 109.5° |
| C1 | C3 | S1 | 110.7° | 109.5° |
| C1 | C3 | H3 | 109.1° | 109.4° |
| C1 | C3 | H4 | 109.2° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C2 | N2 | 123.0° | 120.0° |
| S1 | C3 | H3 | 109.2° | 109.5° |
| S1 | C3 | H4 | 109.1° | 109.5° |
| C3 | S1 | H5 | 102.0° | 103.0° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C4 | N1 | H6 | 109.5° | 111.0° |
| C4 | N1 | H7 | 109.5° | 111.0° |
| N1 | C4 | C5 | 112.9° | 109.5° |
| N1 | C4 | C6 | 108.2° | 109.5° |
| N1 | C4 | H8 | 110.2° | 109.5° |
| H6 | N1 | H7 | 109.4° | 111.0° |
| C5 | C4 | C6 | 106.9° | 109.5° |
| C5 | C4 | H8 | 109.3° | 109.5° |
| C4 | C5 | O2 | 123.4° | 120.0° |
| C4 | C5 | N3 | 113.4° | 120.0° |
| C6 | C4 | H8 | 109.2° | 109.5° |
| C4 | C6 | N2 | 110.3° | 109.5° |
| C4 | C6 | H9 | 109.3° | 109.4° |
| C4 | C6 | H10 | 109.2° | 109.4° |
| O2 | C5 | N3 | 123.2° | 120.0° |
| N2 | C6 | H9 | 109.2° | 109.5° |
| N2 | C6 | H10 | 109.3° | 109.5° |
| C6 | N2 | H11 | 119.4° | 120.0° |
| C6 | N2 | C2 | 121.2° | 120.0° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H11 | N2 | C2 | 119.4° | 120.0° |
| C7 | N3 | H12 | 116.0° | 120.0° |
| N3 | C7 | C8 | 114.3° | 109.5° |
| N3 | C7 | C12 | 116.4° | 109.5° |
| N3 | C7 | H13 | 105.2° | 109.5° |
| C7 | N3 | C5 | 128.0° | 120.0° |
| H12 | N3 | C5 | 116.0° | 120.0° |
| C8 | C7 | C12 | 110.1° | 109.5° |
| C8 | C7 | H13 | 104.7° | 109.4° |
| C7 | C8 | C9 | 105.9° | 109.5° |
| C7 | C8 | H14 | 110.3° | 109.5° |
| C7 | C8 | H15 | 110.4° | 109.5° |
| C12 | C7 | H13 | 104.9° | 109.5° |
| C7 | C12 | O3 | 121.5° | 120.0° |
| C7 | C12 | N7 | 116.2° | 120.0° |
| C9 | C8 | H14 | 110.4° | 109.5° |
| C9 | C8 | H15 | 110.3° | 109.4° |
| C8 | C9 | C10 | 116.3° | 109.5° |
| C8 | C9 | H16 | 107.7° | 109.5° |
| C8 | C9 | H17 | 107.8° | 109.4° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| C10 | C9 | H16 | 107.7° | 109.5° |
| C10 | C9 | H17 | 107.7° | 109.5° |
| C9 | C10 | N4 | 107.4° | 109.5° |
| C9 | C10 | H18 | 110.0° | 109.5° |
| C9 | C10 | H19 | 110.0° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| N4 | C10 | H18 | 110.0° | 109.5° |
| N4 | C10 | H19 | 110.0° | 109.4° |
| C10 | N4 | C11 | 129.5° | 120.0° |
| C10 | N4 | H20 | 115.2° | 120.0° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| C11 | N4 | H20 | 115.2° | 120.0° |
| N4 | C11 | N5 | 120.3° | 120.0° |
| N4 | C11 | N6 | 120.5° | 120.0° |
| N5 | C11 | N6 | 119.2° | 120.0° |
| C11 | N5 | H21 | 120.0° | 120.0° |
| C11 | N5 | H22 | 120.0° | 120.0° |
| C11 | N6 | H23 | 120.0° | 120.0° |
| C11 | N6 | H24 | 120.0° | 120.0° |
| H21 | N5 | H22 | 120.0° | 120.1° |
| H23 | N6 | H24 | 120.0° | 119.9° |
| O3 | C12 | N7 | 122.2° | 120.0° |
| C13 | N7 | H25 | 118.2° | 120.0° |
| N7 | C13 | C14 | 106.1° | 109.5° |
| N7 | C13 | H26 | 110.3° | 109.4° |
| N7 | C13 | H27 | 110.3° | 109.5° |
| C13 | N7 | C12 | 123.6° | 120.0° |
| H25 | N7 | C12 | 118.2° | 120.0° |
| C14 | C13 | H26 | 110.3° | 109.5° |
| C14 | C13 | H27 | 110.3° | 109.5° |
| C13 | C14 | O4 | 119.6° | 120.0° |
| C13 | C14 | N8 | 115.9° | 120.0° |
| H26 | C13 | H27 | 109.5° | 109.4° |
| O4 | C14 | N8 | 124.4° | 120.0° |
| C15 | N8 | H28 | 115.7° | 120.0° |
| N8 | C15 | C16 | 117.6° | 109.5° |
| N8 | C15 | C17 | 108.6° | 109.4° |
| N8 | C15 | H29 | 104.9° | 109.5° |
| C15 | N8 | C14 | 128.6° | 120.0° |
| H28 | N8 | C14 | 115.7° | 120.0° |
| C16 | C15 | C17 | 115.2° | 109.5° |
| C16 | C15 | H29 | 104.7° | 109.5° |
| C15 | C16 | O5 | 121.2° | 120.1° |
| C15 | C16 | N9 | 113.8° | 120.0° |
| C17 | C15 | H29 | 104.4° | 109.5° |
| C15 | C17 | C18 | 95.4° | 109.4° |
| C15 | C17 | H30 | 112.9° | 109.5° |
| C15 | C17 | H31 | 112.9° | 109.5° |
| O5 | C16 | N9 | 124.9° | 119.9° |
| C18 | C17 | H30 | 112.8° | 109.5° |
| C18 | C17 | H31 | 112.9° | 109.5° |
| C17 | C18 | C19 | 117.9° | 120.0° |
| C17 | C18 | C20 | 121.6° | 120.0° |
| H30 | C17 | H31 | 109.5° | 109.5° |
| C19 | C18 | C20 | 120.3° | 120.0° |
| C18 | C19 | C21 | 120.0° | 120.0° |
| C18 | C19 | H32 | 120.0° | 120.0° |
| C18 | C20 | C22 | 119.6° | 120.0° |
| C18 | C20 | H33 | 120.2° | 120.0° |
| C21 | C19 | H32 | 120.0° | 120.0° |
| C19 | C21 | C23 | 120.0° | 120.0° |
| C19 | C21 | H34 | 120.0° | 120.0° |
| C22 | C20 | H33 | 120.2° | 120.0° |
| C20 | C22 | C23 | 120.1° | 120.0° |
| C20 | C22 | H35 | 119.9° | 120.0° |
| C23 | C21 | H34 | 120.0° | 120.0° |
| C21 | C23 | C22 | 120.0° | 120.1° |
| C21 | C23 | H36 | 120.0° | 120.0° |
| C23 | C22 | H35 | 120.0° | 120.1° |
| C22 | C23 | H36 | 120.0° | 119.9° |
| H37 | N9 | H38 | 120.0° | 120.1° |
| H37 | N9 | C16 | 120.0° | 119.9° |
| H38 | N9 | C16 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 120.0° | 120.0° |
| C2 | C1 | C3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | O1 | N2 | 179.5° | 180.0° |
| C2 | C1 | C3 | S1 | 169.3° | 180.0° |
| C2 | C1 | C3 | H3 | 49.1° | 60.0° |
| C2 | C1 | C3 | H4 | 70.5° | 60.0° |
| C1 | C2 | N2 | C6 | 177.5° | 180.0° |
| C1 | C2 | N2 | H11 | 2.5° | 0.0° |
| C3 | C1 | H1 | H2 | 120.0° | 120.0° |
| C3 | C1 | C2 | O1 | 10.9° | 0.0° |
| C1 | C3 | S1 | H3 | 120.2° | 119.9° |
| C1 | C3 | S1 | H4 | 120.2° | 120.0° |
| C1 | C3 | H3 | H4 | 119.5° | 120.0° |
| C1 | C3 | S1 | H5 | 180.0° | 180.0° |
| C3 | C1 | C2 | N2 | 168.7° | 180.0° |
| H1 | C1 | C2 | O1 | 109.1° | 120.0° |
| H1 | C1 | C3 | S1 | 70.7° | 60.0° |
| H1 | C1 | C3 | H3 | 169.1° | 179.9° |
| H1 | C1 | C3 | H4 | 49.5° | 60.1° |
| H1 | C1 | C2 | N2 | 71.3° | 60.0° |
| H2 | C1 | C2 | O1 | 130.9° | 120.0° |
| H2 | C1 | C3 | S1 | 49.3° | 60.0° |
| H2 | C1 | C3 | H3 | 70.9° | 60.0° |
| H2 | C1 | C3 | H4 | 169.4° | 180.0° |
| H2 | C1 | C2 | N2 | 48.6° | 60.0° |
| O1 | C2 | N2 | C6 | 2.9° | 0.0° |
| O1 | C2 | N2 | H11 | 177.1° | 180.0° |
| S1 | C3 | H3 | H4 | 119.4° | 120.1° |
| H3 | C3 | S1 | H5 | 59.8° | 60.0° |
| H4 | C3 | S1 | H5 | 59.8° | 60.0° |
| C4 | N1 | H6 | H7 | 120.0° | 124.0° |
| N1 | C4 | C5 | C6 | 118.8° | 120.0° |
| N1 | C4 | C5 | H8 | 123.0° | 120.0° |
| N1 | C4 | C6 | H8 | 119.9° | 120.0° |
| N1 | C4 | C5 | O2 | 26.5° | 20.0° |
| N1 | C4 | C6 | N2 | 65.1° | 55.0° |
| N1 | C4 | C6 | H9 | 55.1° | 65.0° |
| N1 | C4 | C6 | H10 | 174.8° | 175.0° |
| N1 | C4 | C5 | N3 | 152.8° | 160.0° |
| H6 | N1 | C4 | C5 | 180.0° | 64.0° |
| H6 | N1 | C4 | C6 | 61.9° | 176.0° |
| H6 | N1 | C4 | H8 | 57.4° | 56.0° |
| H7 | N1 | C4 | C5 | 60.0° | 60.0° |
| H7 | N1 | C4 | C6 | 178.1° | 60.0° |
| H7 | N1 | C4 | H8 | 62.5° | 180.0° |
| C5 | C4 | C6 | H8 | 118.2° | 120.0° |
| C4 | C5 | O2 | N3 | 179.3° | 179.9° |
| C5 | C4 | C6 | N2 | 173.0° | 175.0° |
| C5 | C4 | C6 | H9 | 66.8° | 55.0° |
| C5 | C4 | C6 | H10 | 52.9° | 65.0° |
| C4 | C5 | N3 | C7 | 177.9° | 180.0° |
| C4 | C5 | N3 | H12 | 2.1° | 0.1° |
| C6 | C4 | C5 | O2 | 92.3° | 100.1° |
| C4 | C6 | N2 | H9 | 120.2° | 120.0° |
| C4 | C6 | N2 | H10 | 120.1° | 120.0° |
| C4 | C6 | H9 | H10 | 119.6° | 119.9° |
| C4 | C6 | N2 | H11 | 102.1° | 0.0° |
| C4 | C6 | N2 | C2 | 77.9° | 180.0° |
| C6 | C4 | C5 | N3 | 88.3° | 80.0° |
| H8 | C4 | C5 | O2 | 149.6° | 139.9° |
| H8 | C4 | C6 | N2 | 54.9° | 65.0° |
| H8 | C4 | C6 | H9 | 175.0° | 175.0° |
| H8 | C4 | C6 | H10 | 65.3° | 55.0° |
| H8 | C4 | C5 | N3 | 29.8° | 40.0° |
| O2 | C5 | N3 | C7 | 2.7° | 0.1° |
| O2 | C5 | N3 | H12 | 177.3° | 180.0° |
| N2 | C6 | H9 | H10 | 119.6° | 120.1° |
| C6 | N2 | H11 | C2 | 180.0° | 180.0° |
| H9 | C6 | N2 | H11 | 18.1° | 120.0° |
| H9 | C6 | N2 | C2 | 162.0° | 60.1° |
| H10 | C6 | N2 | H11 | 137.8° | 119.9° |
| H10 | C6 | N2 | C2 | 42.2° | 60.0° |
| C7 | N3 | H12 | C5 | 180.0° | 180.0° |
| N3 | C7 | C8 | C12 | 133.2° | 120.0° |
| N3 | C7 | C8 | H13 | 114.6° | 120.0° |
| N3 | C7 | C12 | H13 | 115.8° | 120.0° |
| N3 | C7 | C8 | C9 | 149.8° | 65.0° |
| N3 | C7 | C8 | H14 | 90.7° | 174.9° |
| N3 | C7 | C8 | H15 | 30.4° | 55.0° |
| N3 | C7 | C12 | O3 | 117.7° | 0.0° |
| N3 | C7 | C12 | N7 | 65.5° | 180.0° |
| H12 | N3 | C7 | C8 | 100.3° | 95.0° |
| H12 | N3 | C7 | C12 | 129.5° | 25.0° |
| H12 | N3 | C7 | H13 | 14.0° | 145.0° |
| C8 | C7 | C12 | H13 | 112.1° | 120.0° |
| C7 | C8 | C9 | H14 | 119.4° | 120.1° |
| C7 | C8 | C9 | H15 | 119.4° | 120.0° |
| C7 | C8 | H14 | H15 | 121.7° | 120.0° |
| C7 | C8 | C9 | C10 | 130.0° | 180.0° |
| C7 | C8 | C9 | H16 | 9.0° | 59.9° |
| C7 | C8 | C9 | H17 | 109.0° | 60.0° |
| C8 | C7 | C12 | O3 | 14.4° | 120.0° |
| C8 | C7 | N3 | C5 | 79.7° | 85.0° |
| C8 | C7 | C12 | N7 | 162.4° | 60.0° |
| C12 | C7 | C8 | C9 | 76.9° | 175.0° |
| C12 | C7 | C8 | H14 | 42.5° | 54.9° |
| C12 | C7 | C8 | H15 | 163.7° | 65.0° |
| C7 | C12 | O3 | N7 | 176.6° | 180.0° |
| C7 | C12 | N7 | C13 | 177.2° | 180.0° |
| C7 | C12 | N7 | H25 | 2.8° | 0.0° |
| C12 | C7 | N3 | C5 | 50.4° | 155.0° |
| H13 | C7 | C8 | C9 | 35.3° | 55.0° |
| H13 | C7 | C8 | H14 | 154.7° | 65.0° |
| H13 | C7 | C8 | H15 | 84.1° | 175.0° |
| H13 | C7 | C12 | O3 | 126.5° | 120.1° |
| H13 | C7 | N3 | C5 | 166.0° | 35.0° |
| H13 | C7 | C12 | N7 | 50.3° | 60.0° |
| C9 | C8 | H14 | H15 | 121.6° | 120.0° |
| C8 | C9 | C10 | H16 | 121.0° | 120.0° |
| C8 | C9 | C10 | H17 | 121.0° | 119.9° |
| C8 | C9 | H16 | H17 | 116.9° | 119.9° |
| C8 | C9 | C10 | N4 | 111.6° | 180.0° |
| C8 | C9 | C10 | H18 | 8.1° | 60.0° |
| C8 | C9 | C10 | H19 | 128.7° | 60.0° |
| H14 | C8 | C9 | C10 | 110.6° | 60.0° |
| H14 | C8 | C9 | H16 | 128.5° | 180.0° |
| H14 | C8 | C9 | H17 | 10.4° | 60.0° |
| H15 | C8 | C9 | C10 | 10.6° | 60.0° |
| H15 | C8 | C9 | H16 | 110.4° | 60.0° |
| H15 | C8 | C9 | H17 | 131.5° | 180.0° |
| C10 | C9 | H16 | H17 | 116.9° | 120.1° |
| C9 | C10 | N4 | H18 | 119.7° | 120.1° |
| C9 | C10 | N4 | H19 | 119.7° | 120.0° |
| C9 | C10 | H18 | H19 | 120.9° | 120.1° |
| C9 | C10 | N4 | C11 | 77.1° | 180.0° |
| C9 | C10 | N4 | H20 | 102.9° | 0.1° |
| H16 | C9 | C10 | N4 | 127.4° | 60.0° |
| H16 | C9 | C10 | H18 | 112.9° | NaN° |
| H16 | C9 | C10 | H19 | 7.8° | 60.0° |
| H17 | C9 | C10 | N4 | 9.4° | 60.1° |
| H17 | C9 | C10 | H18 | 129.1° | 60.0° |
| H17 | C9 | C10 | H19 | 110.3° | 180.0° |
| N4 | C10 | H18 | H19 | 120.9° | 119.9° |
| C10 | N4 | C11 | H20 | 180.0° | 179.9° |
| C10 | N4 | C11 | N5 | 179.2° | 0.0° |
| C10 | N4 | C11 | N6 | 1.7° | 179.9° |
| H18 | C10 | N4 | C11 | 163.2° | 59.9° |
| H18 | C10 | N4 | H20 | 16.8° | 120.0° |
| H19 | C10 | N4 | C11 | 42.6° | 60.0° |
| H19 | C10 | N4 | H20 | 137.4° | 120.1° |
| N4 | C11 | N5 | N6 | 179.1° | 180.0° |
| N4 | C11 | N5 | H21 | 179.1° | 0.0° |
| N4 | C11 | N5 | H22 | 0.9° | 180.0° |
| N4 | C11 | N6 | H23 | 179.1° | 0.0° |
| N4 | C11 | N6 | H24 | 0.9° | 180.0° |
| H20 | N4 | C11 | N5 | 0.8° | 179.9° |
| H20 | N4 | C11 | N6 | 178.3° | 0.0° |
| C11 | N5 | H21 | H22 | 180.0° | 180.0° |
| N5 | C11 | N6 | H23 | 0.0° | 180.0° |
| N5 | C11 | N6 | H24 | 180.0° | 0.0° |
| N6 | C11 | N5 | H21 | 0.0° | 180.0° |
| N6 | C11 | N5 | H22 | 180.0° | 0.0° |
| C11 | N6 | H23 | H24 | 180.0° | 179.9° |
| O3 | C12 | N7 | C13 | 0.4° | 0.0° |
| O3 | C12 | N7 | H25 | 179.5° | 179.9° |
| C13 | N7 | H25 | C12 | 180.0° | 179.9° |
| N7 | C13 | C14 | H26 | 119.5° | 120.0° |
| N7 | C13 | C14 | H27 | 119.5° | 120.0° |
| N7 | C13 | H26 | H27 | 121.5° | 119.9° |
| N7 | C13 | C14 | O4 | 6.8° | 0.0° |
| N7 | C13 | C14 | N8 | 171.7° | 180.0° |
| H25 | N7 | C13 | C14 | 89.5° | 0.0° |
| H25 | N7 | C13 | H26 | 30.0° | 120.1° |
| H25 | N7 | C13 | H27 | 151.0° | 120.0° |
| C14 | C13 | H26 | H27 | 121.5° | 120.0° |
| C13 | C14 | O4 | N8 | 178.3° | 180.0° |
| C13 | C14 | N8 | C15 | 179.5° | 180.0° |
| C13 | C14 | N8 | H28 | 0.5° | 0.0° |
| C14 | C13 | N7 | C12 | 90.5° | 180.0° |
| H26 | C13 | C14 | O4 | 112.7° | 120.0° |
| H26 | C13 | N7 | C12 | 150.0° | 59.9° |
| H26 | C13 | C14 | N8 | 68.9° | 60.0° |
| H27 | C13 | C14 | O4 | 126.3° | 120.1° |
| H27 | C13 | N7 | C12 | 29.0° | 60.0° |
| H27 | C13 | C14 | N8 | 52.2° | 60.0° |
| O4 | C14 | N8 | C15 | 1.2° | 0.0° |
| O4 | C14 | N8 | H28 | 178.8° | 179.9° |
| C15 | N8 | H28 | C14 | 180.0° | 179.9° |
| N8 | C15 | C16 | C17 | 130.0° | 120.0° |
| N8 | C15 | C16 | H29 | 115.9° | 120.0° |
| N8 | C15 | C17 | H29 | 111.5° | 120.0° |
| N8 | C15 | C16 | O5 | 147.4° | 0.0° |
| N8 | C15 | C17 | C18 | 73.7° | 65.0° |
| N8 | C15 | C17 | H30 | 168.7° | 175.0° |
| N8 | C15 | C17 | H31 | 43.9° | 55.0° |
| N8 | C15 | C16 | N9 | 35.8° | 180.0° |
| H28 | N8 | C15 | C16 | 125.9° | 95.0° |
| H28 | N8 | C15 | C17 | 101.1° | 25.0° |
| H28 | N8 | C15 | H29 | 10.1° | 145.1° |
| C16 | C15 | C17 | H29 | 114.2° | 120.0° |
| C15 | C16 | O5 | N9 | 176.4° | 180.0° |
| C16 | C15 | C17 | C18 | 152.0° | 175.0° |
| C16 | C15 | C17 | H30 | 34.5° | 55.0° |
| C16 | C15 | C17 | H31 | 90.3° | 65.0° |
| C15 | C16 | N9 | H37 | 176.7° | 0.0° |
| C15 | C16 | N9 | H38 | 3.4° | 180.0° |
| C16 | C15 | N8 | C14 | 54.1° | 85.0° |
| C17 | C15 | C16 | O5 | 17.4° | 120.0° |
| C15 | C17 | C18 | H30 | 117.6° | 119.9° |
| C15 | C17 | C18 | H31 | 117.6° | 120.0° |
| C15 | C17 | H30 | H31 | 126.6° | 120.0° |
| C15 | C17 | C18 | C19 | 47.9° | 90.0° |
| C15 | C17 | C18 | C20 | 127.8° | 90.3° |
| C17 | C15 | N8 | C14 | 78.9° | 155.0° |
| C17 | C15 | C16 | N9 | 165.8° | 60.0° |
| H29 | C15 | C16 | O5 | 96.7° | 120.0° |
| H29 | C15 | C17 | C18 | 37.8° | 55.0° |
| H29 | C15 | C17 | H30 | 79.8° | 65.0° |
| H29 | C15 | C17 | H31 | 155.4° | 175.0° |
| H29 | C15 | N8 | C14 | 170.0° | 35.0° |
| H29 | C15 | C16 | N9 | 80.1° | 60.0° |
| O5 | C16 | N9 | H37 | 0.0° | 180.0° |
| O5 | C16 | N9 | H38 | 180.0° | 0.0° |
| C18 | C17 | H30 | H31 | 126.6° | 120.0° |
| C17 | C18 | C19 | C20 | 175.7° | 179.7° |
| C17 | C18 | C19 | C21 | 177.8° | 180.0° |
| C17 | C18 | C19 | H32 | 2.3° | 0.1° |
| C17 | C18 | C20 | C22 | 177.8° | 180.0° |
| C17 | C18 | C20 | H33 | 2.1° | 0.0° |
| H30 | C17 | C18 | C19 | 69.7° | 29.9° |
| H30 | C17 | C18 | C20 | 114.6° | 149.7° |
| H31 | C17 | C18 | C19 | 165.5° | 150.0° |
| H31 | C17 | C18 | C20 | 10.2° | 29.7° |
| C18 | C19 | C21 | H32 | 180.0° | 179.9° |
| C19 | C18 | C20 | C22 | 2.3° | 0.3° |
| C19 | C18 | C20 | H33 | 177.7° | 179.7° |
| C18 | C19 | C21 | C23 | 0.6° | 0.1° |
| C18 | C19 | C21 | H34 | 179.4° | 179.9° |
| C20 | C18 | C19 | C21 | 2.0° | 0.3° |
| C20 | C18 | C19 | H32 | 178.0° | 179.8° |
| C18 | C20 | C22 | H33 | 180.0° | 180.0° |
| C18 | C20 | C22 | C23 | 1.1° | 0.1° |
| C18 | C20 | C22 | H35 | 178.9° | 179.9° |
| C19 | C21 | C23 | H34 | 180.0° | 180.0° |
| C19 | C21 | C23 | C22 | 0.6° | 0.2° |
| C19 | C21 | C23 | H36 | 179.4° | 180.0° |
| H32 | C19 | C21 | C23 | 179.4° | 180.0° |
| H32 | C19 | C21 | H34 | 0.6° | 0.0° |
| C20 | C22 | C23 | C21 | 0.3° | 0.2° |
| C20 | C22 | C23 | H35 | 180.0° | 179.9° |
| C20 | C22 | C23 | H36 | 179.7° | 180.0° |
| H33 | C20 | C22 | C23 | 178.9° | 179.9° |
| H33 | C20 | C22 | H35 | 1.1° | 0.0° |
| C21 | C23 | C22 | H36 | 180.0° | 179.8° |
| C21 | C23 | C22 | H35 | 179.7° | 179.7° |
| H34 | C21 | C23 | C22 | 179.4° | 179.8° |
| H34 | C21 | C23 | H36 | 0.6° | 0.0° |
| H35 | C22 | C23 | H36 | 0.3° | 0.1° |
| H37 | N9 | H38 | C16 | 179.9° | 180.0° |
