PRD_000284
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.47Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.25Å | |
| C6 | O4 | sing | 1.34Å | 1.25Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| N2 | C7 | sing | 1.46Å | 1.46Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | O5 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | O6 | doub | 1.21Å | 1.24Å | |
| C11 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| N4 | C12 | sing | 1.46Å | 1.46Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | O7 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | S1 | sing | 1.81Å | 1.80Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| S1 | C16 | sing | 1.81Å | 1.78Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | O8 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | N5 | sing | 1.46Å | 1.46Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| O8 | H29 | sing | 0.97Å | 0.95Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | O10 | doub | 1.21Å | 1.25Å | |
| C20 | O9 | sing | 1.34Å | 1.25Å | |
| O9 | H33 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.39Å | |
| C13 | N5 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C8 | N4 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 117.5° | 120.1° |
| O1 | C1 | N1 | 120.8° | 119.9° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 121.1° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 118.9° | 119.9° |
| N1 | C3 | C4 | 112.3° | 109.5° |
| N1 | C3 | C5 | 103.8° | 109.5° |
| N1 | C3 | H5 | 110.2° | 109.5° |
| C3 | N1 | C1 | 122.2° | 120.1° |
| H4 | N1 | C1 | 118.9° | 120.0° |
| C4 | C3 | C5 | 111.6° | 109.5° |
| C4 | C3 | H5 | 109.4° | 109.4° |
| C3 | C4 | O2 | 120.5° | 120.0° |
| C3 | C4 | N2 | 116.3° | 120.0° |
| C5 | C3 | H5 | 109.4° | 109.5° |
| C3 | C5 | C6 | 112.7° | 109.5° |
| C3 | C5 | H6 | 108.7° | 109.4° |
| C3 | C5 | H7 | 108.7° | 109.5° |
| O2 | C4 | N2 | 123.2° | 120.0° |
| C6 | C5 | H6 | 108.6° | 109.5° |
| C6 | C5 | H7 | 108.6° | 109.5° |
| C5 | C6 | O3 | 118.2° | 120.0° |
| C5 | C6 | O4 | 118.7° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| O3 | C6 | O4 | 123.0° | 120.0° |
| C6 | O4 | H8 | 109.5° | 117.0° |
| C7 | N2 | H9 | 119.1° | 120.0° |
| N2 | C7 | C8 | 109.8° | 109.5° |
| N2 | C7 | C9 | 110.2° | 109.5° |
| N2 | C7 | H10 | 109.8° | 109.5° |
| C7 | N2 | C4 | 121.9° | 120.0° |
| H9 | N2 | C4 | 119.0° | 120.0° |
| C8 | C7 | C9 | 109.3° | 109.5° |
| C8 | C7 | H10 | 108.9° | 109.4° |
| C7 | C8 | O5 | 120.5° | 120.0° |
| C7 | C8 | N4 | 116.4° | 120.0° |
| C9 | C7 | H10 | 108.8° | 109.4° |
| C7 | C9 | C10 | 114.4° | 109.5° |
| C7 | C9 | H11 | 108.3° | 109.4° |
| C7 | C9 | H12 | 108.3° | 109.5° |
| O5 | C8 | N4 | 123.0° | 120.0° |
| C10 | C9 | H11 | 108.2° | 109.5° |
| C10 | C9 | H12 | 108.2° | 109.5° |
| C9 | C10 | C11 | 112.3° | 109.5° |
| C9 | C10 | H13 | 108.7° | 109.5° |
| C9 | C10 | H14 | 108.7° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| C11 | C10 | H13 | 108.8° | 109.5° |
| C11 | C10 | H14 | 108.7° | 109.5° |
| C10 | C11 | O6 | 121.1° | 120.0° |
| C10 | C11 | N3 | 116.2° | 120.1° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| O6 | C11 | N3 | 122.6° | 120.0° |
| C11 | N3 | H15 | 120.0° | 119.9° |
| C11 | N3 | H16 | 120.0° | 120.0° |
| H15 | N3 | H16 | 120.0° | 120.1° |
| C12 | N4 | H17 | 119.4° | 120.0° |
| N4 | C12 | C13 | 112.1° | 109.5° |
| N4 | C12 | C14 | 110.5° | 109.5° |
| N4 | C12 | H18 | 108.9° | 109.5° |
| C12 | N4 | C8 | 121.4° | 120.0° |
| H17 | N4 | C8 | 119.3° | 120.0° |
| C13 | C12 | C14 | 109.2° | 109.5° |
| C13 | C12 | H18 | 108.0° | 109.4° |
| C12 | C13 | O7 | 120.8° | 120.0° |
| C12 | C13 | N5 | 115.6° | 120.0° |
| C14 | C12 | H18 | 108.0° | 109.5° |
| C12 | C14 | C15 | 114.4° | 109.4° |
| C12 | C14 | H19 | 108.2° | 109.5° |
| C12 | C14 | H20 | 108.2° | 109.5° |
| O7 | C13 | N5 | 123.6° | 120.0° |
| C15 | C14 | H19 | 108.2° | 109.5° |
| C15 | C14 | H20 | 108.2° | 109.5° |
| C14 | C15 | S1 | 112.0° | 109.5° |
| C14 | C15 | H21 | 108.8° | 109.5° |
| C14 | C15 | H22 | 108.8° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| S1 | C15 | H21 | 108.8° | 109.5° |
| S1 | C15 | H22 | 108.8° | 109.4° |
| C15 | S1 | C16 | 100.7° | 103.0° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| S1 | C16 | H23 | 109.5° | 109.5° |
| S1 | C16 | H24 | 109.5° | 109.5° |
| S1 | C16 | H25 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H25 | 109.5° | 109.4° |
| H24 | C16 | H25 | 109.4° | 109.5° |
| O8 | C17 | C18 | 111.2° | 109.4° |
| O8 | C17 | H26 | 109.0° | 109.5° |
| O8 | C17 | H27 | 109.0° | 109.4° |
| C17 | O8 | H29 | 109.5° | 114.0° |
| C18 | C17 | H26 | 109.0° | 109.5° |
| C18 | C17 | H27 | 109.0° | 109.5° |
| C17 | C18 | N5 | 111.1° | 109.5° |
| C17 | C18 | C19 | 106.8° | 109.5° |
| C17 | C18 | H30 | 109.2° | 109.4° |
| H26 | C17 | H27 | 109.4° | 109.5° |
| C18 | N5 | H28 | 118.3° | 120.0° |
| N5 | C18 | C19 | 110.8° | 109.5° |
| N5 | C18 | H30 | 109.9° | 109.5° |
| C18 | N5 | C13 | 123.5° | 120.1° |
| H28 | N5 | C13 | 118.2° | 120.0° |
| C19 | C18 | H30 | 108.9° | 109.4° |
| C18 | C19 | C20 | 112.9° | 109.5° |
| C18 | C19 | H31 | 108.6° | 109.4° |
| C18 | C19 | H32 | 108.6° | 109.5° |
| C20 | C19 | H31 | 108.6° | 109.5° |
| C20 | C19 | H32 | 108.6° | 109.5° |
| C19 | C20 | O10 | 118.8° | 120.0° |
| C19 | C20 | O9 | 117.7° | 120.0° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| O10 | C20 | O9 | 123.4° | 120.0° |
| C20 | O9 | H33 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 171.3° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 164.8° | 4.9° |
| O1 | C1 | N1 | H4 | 15.3° | 175.1° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 24.2° | 174.8° |
| C2 | C1 | N1 | H4 | 155.8° | 5.1° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 171.3° | 89.8° |
| H2 | C2 | C1 | N1 | 68.7° | 30.3° |
| H3 | C2 | C1 | N1 | 51.3° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 116.1° | 120.1° |
| N1 | C3 | C4 | H5 | 122.7° | 119.9° |
| N1 | C3 | C5 | H5 | 117.6° | 120.0° |
| N1 | C3 | C4 | O2 | 29.6° | 0.1° |
| N1 | C3 | C5 | C6 | 65.2° | 65.6° |
| N1 | C3 | C5 | H6 | 55.2° | 54.4° |
| N1 | C3 | C5 | H7 | 174.3° | 174.4° |
| N1 | C3 | C4 | N2 | 149.8° | 180.0° |
| H4 | N1 | C3 | C4 | 105.8° | 98.3° |
| H4 | N1 | C3 | C5 | 14.9° | 21.7° |
| H4 | N1 | C3 | H5 | 131.9° | 141.8° |
| C4 | C3 | C5 | H5 | 121.2° | 119.9° |
| C3 | C4 | O2 | N2 | 179.5° | 180.0° |
| C4 | C3 | C5 | C6 | 173.6° | 174.4° |
| C4 | C3 | C5 | H6 | 66.0° | 65.6° |
| C4 | C3 | C5 | H7 | 53.1° | 54.4° |
| C3 | C4 | N2 | C7 | 179.9° | 180.0° |
| C3 | C4 | N2 | H9 | 0.1° | 0.1° |
| C4 | C3 | N1 | C1 | 74.1° | 81.6° |
| C5 | C3 | C4 | O2 | 86.4° | 120.0° |
| C3 | C5 | C6 | H6 | 120.5° | 119.9° |
| C3 | C5 | C6 | H7 | 120.5° | 120.1° |
| C3 | C5 | H6 | H7 | 118.6° | 120.0° |
| C3 | C5 | C6 | O3 | 51.5° | 5.6° |
| C3 | C5 | C6 | O4 | 129.2° | 174.4° |
| C5 | C3 | N1 | C1 | 165.2° | 158.3° |
| C5 | C3 | C4 | N2 | 94.1° | 59.9° |
| H5 | C3 | C4 | O2 | 152.4° | 120.0° |
| H5 | C3 | C5 | C6 | 52.3° | 54.5° |
| H5 | C3 | C5 | H6 | 172.8° | 174.4° |
| H5 | C3 | C5 | H7 | 68.1° | 65.6° |
| H5 | C3 | N1 | C1 | 48.2° | 38.3° |
| H5 | C3 | C4 | N2 | 27.1° | 60.0° |
| O2 | C4 | N2 | C7 | 0.6° | 0.0° |
| O2 | C4 | N2 | H9 | 179.4° | 180.0° |
| C6 | C5 | H6 | H7 | 118.5° | 120.0° |
| C5 | C6 | O3 | O4 | 179.3° | 179.9° |
| C5 | C6 | O4 | H8 | 179.3° | 180.0° |
| H6 | C5 | C6 | O3 | 172.0° | 125.5° |
| H6 | C5 | C6 | O4 | 8.7° | 54.5° |
| H7 | C5 | C6 | O3 | 69.0° | 114.4° |
| H7 | C5 | C6 | O4 | 110.3° | 65.5° |
| O3 | C6 | O4 | H8 | 0.0° | 0.1° |
| C7 | N2 | H9 | C4 | 180.0° | 179.9° |
| N2 | C7 | C8 | C9 | 121.0° | 120.1° |
| N2 | C7 | C8 | H10 | 120.3° | 120.0° |
| N2 | C7 | C9 | H10 | 120.5° | 120.0° |
| N2 | C7 | C8 | O5 | 21.2° | 0.0° |
| N2 | C7 | C9 | C10 | 55.6° | 65.0° |
| N2 | C7 | C9 | H11 | 65.1° | 55.0° |
| N2 | C7 | C9 | H12 | 176.3° | 175.0° |
| N2 | C7 | C8 | N4 | 159.1° | 180.0° |
| H9 | N2 | C7 | C8 | 58.9° | 25.0° |
| H9 | N2 | C7 | C9 | 61.6° | 95.0° |
| H9 | N2 | C7 | H10 | 178.6° | 145.0° |
| C8 | C7 | C9 | H10 | 118.7° | 119.9° |
| C7 | C8 | O5 | N4 | 179.7° | 180.0° |
| C8 | C7 | C9 | C10 | 176.4° | 175.0° |
| C8 | C7 | C9 | H11 | 55.7° | 65.1° |
| C8 | C7 | C9 | H12 | 62.9° | 54.9° |
| C7 | C8 | N4 | C12 | 179.9° | 180.0° |
| C7 | C8 | N4 | H17 | 0.2° | 0.0° |
| C8 | C7 | N2 | C4 | 121.1° | 155.0° |
| C9 | C7 | C8 | O5 | 99.9° | 120.0° |
| C7 | C9 | C10 | H11 | 120.7° | 119.9° |
| C7 | C9 | C10 | H12 | 120.7° | 120.1° |
| C7 | C9 | H11 | H12 | 117.8° | 120.0° |
| C7 | C9 | C10 | C11 | 174.2° | 180.0° |
| C7 | C9 | C10 | H13 | 53.7° | 60.0° |
| C7 | C9 | C10 | H14 | 65.4° | 59.9° |
| C9 | C7 | N2 | C4 | 118.4° | 85.0° |
| C9 | C7 | C8 | N4 | 79.9° | 60.0° |
| H10 | C7 | C8 | O5 | 141.4° | 120.0° |
| H10 | C7 | C9 | C10 | 64.9° | 55.1° |
| H10 | C7 | C9 | H11 | 174.4° | 175.0° |
| H10 | C7 | C9 | H12 | 55.8° | 65.0° |
| H10 | C7 | N2 | C4 | 1.4° | 35.0° |
| H10 | C7 | C8 | N4 | 38.8° | 60.0° |
| O5 | C8 | N4 | C12 | 0.1° | 0.0° |
| O5 | C8 | N4 | H17 | 179.9° | 180.0° |
| C10 | C9 | H11 | H12 | 117.7° | 120.1° |
| C9 | C10 | C11 | H13 | 120.4° | 120.0° |
| C9 | C10 | C11 | H14 | 120.4° | 120.0° |
| C9 | C10 | H13 | H14 | 118.7° | 120.0° |
| C9 | C10 | C11 | O6 | 59.8° | 0.0° |
| C9 | C10 | C11 | N3 | 119.9° | 180.0° |
| H11 | C9 | C10 | C11 | 65.1° | 60.0° |
| H11 | C9 | C10 | H13 | 174.5° | 179.9° |
| H11 | C9 | C10 | H14 | 55.3° | 60.0° |
| H12 | C9 | C10 | C11 | 53.4° | 60.0° |
| H12 | C9 | C10 | H13 | 67.0° | 60.1° |
| H12 | C9 | C10 | H14 | 173.8° | 180.0° |
| C11 | C10 | H13 | H14 | 118.7° | 120.0° |
| C10 | C11 | O6 | N3 | 179.7° | 180.0° |
| C10 | C11 | N3 | H15 | 179.7° | 0.1° |
| C10 | C11 | N3 | H16 | 0.3° | 180.0° |
| H13 | C10 | C11 | O6 | 179.7° | 120.0° |
| H13 | C10 | C11 | N3 | 0.5° | 60.0° |
| H14 | C10 | C11 | O6 | 60.6° | 120.0° |
| H14 | C10 | C11 | N3 | 119.7° | 60.0° |
| O6 | C11 | N3 | H15 | 0.0° | 179.9° |
| O6 | C11 | N3 | H16 | 180.0° | 0.0° |
| C11 | N3 | H15 | H16 | 180.0° | 179.9° |
| C12 | N4 | H17 | C8 | 180.0° | 179.9° |
| N4 | C12 | C13 | C14 | 122.8° | 120.1° |
| N4 | C12 | C13 | H18 | 120.0° | 120.0° |
| N4 | C12 | C14 | H18 | 119.0° | 120.0° |
| N4 | C12 | C13 | O7 | 29.3° | 0.0° |
| N4 | C12 | C14 | C15 | 65.0° | 65.0° |
| N4 | C12 | C14 | H19 | 55.8° | 55.0° |
| N4 | C12 | C14 | H20 | 174.3° | 175.0° |
| N4 | C12 | C13 | N5 | 150.8° | 180.0° |
| H17 | N4 | C12 | C13 | 80.6° | 25.1° |
| H17 | N4 | C12 | C14 | 41.4° | 94.9° |
| H17 | N4 | C12 | H18 | 159.9° | 145.0° |
| C13 | C12 | C14 | H18 | 117.2° | 119.9° |
| C12 | C13 | O7 | N5 | 180.0° | 180.0° |
| C13 | C12 | C14 | C15 | 171.3° | 175.0° |
| C13 | C12 | C14 | H19 | 68.0° | 65.1° |
| C13 | C12 | C14 | H20 | 50.6° | 55.0° |
| C12 | C13 | N5 | C18 | 179.3° | 180.0° |
| C12 | C13 | N5 | H28 | 0.7° | 0.0° |
| C13 | C12 | N4 | C8 | 99.4° | 155.0° |
| C14 | C12 | C13 | O7 | 93.5° | 120.0° |
| C12 | C14 | C15 | H19 | 120.7° | 120.0° |
| C12 | C14 | C15 | H20 | 120.7° | 120.0° |
| C12 | C14 | H19 | H20 | 117.7° | 120.0° |
| C12 | C14 | C15 | S1 | 120.7° | 180.0° |
| C12 | C14 | C15 | H21 | 118.9° | 60.0° |
| C12 | C14 | C15 | H22 | 0.3° | 60.0° |
| C14 | C12 | C13 | N5 | 86.4° | 60.0° |
| C14 | C12 | N4 | C8 | 138.6° | 85.0° |
| H18 | C12 | C13 | O7 | 149.3° | 120.0° |
| H18 | C12 | C14 | C15 | 54.1° | 55.0° |
| H18 | C12 | C14 | H19 | 174.8° | 175.0° |
| H18 | C12 | C14 | H20 | 66.6° | 65.0° |
| H18 | C12 | C13 | N5 | 30.7° | 60.0° |
| H18 | C12 | N4 | C8 | 20.1° | 35.1° |
| O7 | C13 | N5 | C18 | 0.6° | 0.0° |
| O7 | C13 | N5 | H28 | 179.3° | 180.0° |
| C15 | C14 | H19 | H20 | 117.8° | 120.0° |
| C14 | C15 | S1 | H21 | 120.4° | 120.0° |
| C14 | C15 | S1 | H22 | 120.4° | 120.0° |
| C14 | C15 | H21 | H22 | 118.8° | 120.0° |
| C14 | C15 | S1 | C16 | 93.3° | 180.0° |
| H19 | C14 | C15 | S1 | 0.0° | 60.0° |
| H19 | C14 | C15 | H21 | 120.4° | 180.0° |
| H19 | C14 | C15 | H22 | 120.4° | 60.0° |
| H20 | C14 | C15 | S1 | 118.6° | 60.0° |
| H20 | C14 | C15 | H21 | 1.8° | 60.0° |
| H20 | C14 | C15 | H22 | 121.0° | 179.9° |
| S1 | C15 | H21 | H22 | 118.8° | 120.0° |
| C15 | S1 | C16 | H23 | 180.0° | 60.0° |
| C15 | S1 | C16 | H24 | 60.0° | 60.0° |
| C15 | S1 | C16 | H25 | 60.0° | 179.9° |
| H21 | C15 | S1 | C16 | 146.3° | 60.0° |
| H22 | C15 | S1 | C16 | 27.1° | 60.0° |
| S1 | C16 | H23 | H24 | 120.0° | 120.0° |
| S1 | C16 | H23 | H25 | 120.0° | 119.9° |
| S1 | C16 | H24 | H25 | 120.0° | 120.0° |
| H23 | C16 | H24 | H25 | 120.0° | 119.9° |
| O8 | C17 | C18 | H26 | 120.3° | 120.0° |
| O8 | C17 | C18 | H27 | 120.3° | 119.9° |
| O8 | C17 | H26 | H27 | 119.2° | 120.0° |
| O8 | C17 | C18 | N5 | 113.6° | 65.0° |
| O8 | C17 | C18 | C19 | 125.5° | 55.0° |
| O8 | C17 | C18 | H30 | 7.8° | 175.0° |
| C18 | C17 | H26 | H27 | 119.2° | 120.0° |
| C17 | C18 | N5 | C19 | 118.6° | 120.0° |
| C17 | C18 | N5 | H30 | 121.0° | 120.0° |
| C17 | C18 | N5 | H28 | 63.8° | 95.0° |
| C18 | C17 | O8 | H29 | 180.0° | 180.0° |
| C17 | C18 | C19 | H30 | 117.8° | 119.9° |
| C17 | C18 | C19 | C20 | 149.1° | 175.0° |
| C17 | C18 | C19 | H31 | 90.3° | 65.0° |
| C17 | C18 | C19 | H32 | 28.6° | 55.0° |
| C17 | C18 | N5 | C13 | 116.2° | 85.0° |
| H26 | C17 | C18 | N5 | 6.7° | 175.0° |
| H26 | C17 | O8 | H29 | 59.7° | 60.0° |
| H26 | C17 | C18 | C19 | 114.2° | 64.9° |
| H26 | C17 | C18 | H30 | 128.1° | 55.0° |
| H27 | C17 | C18 | N5 | 126.2° | 54.9° |
| H27 | C17 | O8 | H29 | 59.7° | 60.0° |
| H27 | C17 | C18 | C19 | 5.2° | 175.0° |
| H27 | C17 | C18 | H30 | 112.5° | 65.1° |
| C18 | N5 | H28 | C13 | 180.0° | 180.0° |
| N5 | C18 | C19 | H30 | 121.0° | 120.0° |
| N5 | C18 | C19 | C20 | 89.7° | 65.0° |
| N5 | C18 | C19 | H31 | 30.8° | 55.0° |
| N5 | C18 | C19 | H32 | 149.8° | 175.0° |
| H28 | N5 | C18 | C19 | 54.8° | 25.0° |
| H28 | N5 | C18 | H30 | 175.3° | 145.0° |
| C18 | C19 | C20 | H31 | 120.5° | 120.0° |
| C18 | C19 | C20 | H32 | 120.5° | 120.0° |
| C18 | C19 | H31 | H32 | 118.4° | 120.0° |
| C18 | C19 | C20 | O10 | 28.8° | 0.0° |
| C18 | C19 | C20 | O9 | 151.4° | 180.0° |
| C19 | C18 | N5 | C13 | 125.2° | 155.0° |
| H30 | C18 | C19 | C20 | 31.3° | 55.1° |
| H30 | C18 | C19 | H31 | 151.8° | 175.1° |
| H30 | C18 | C19 | H32 | 89.2° | 64.9° |
| H30 | C18 | N5 | C13 | 4.7° | 35.0° |
| C20 | C19 | H31 | H32 | 118.4° | 120.0° |
| C19 | C20 | O10 | O9 | 179.8° | 179.9° |
| C19 | C20 | O9 | H33 | 179.8° | 180.0° |
| H31 | C19 | C20 | O10 | 149.3° | 120.0° |
| H31 | C19 | C20 | O9 | 30.8° | 60.0° |
| H32 | C19 | C20 | O10 | 91.7° | 120.0° |
| H32 | C19 | C20 | O9 | 88.1° | 60.0° |
| O10 | C20 | O9 | H33 | 0.0° | 0.0° |
