PRD_000293
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 | 1.47Å | 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 | 1.53Å | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.25Å | |
| C7 | O4 | sing | 1.34Å | 1.25Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| N2 | C8 | sing | 1.47Å | 1.46Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | O5 | doub | 1.21Å | 1.23Å | |
| C10 | O6 | sing | 1.43Å | 1.41Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| O6 | H15 | sing | 0.97Å | 0.95Å | |
| N3 | C11 | sing | 1.46Å | 1.46Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | O7 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | S1 | sing | 1.81Å | 1.80Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| S1 | C15 | sing | 1.81Å | 1.80Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | O8 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| O8 | H28 | sing | 0.97Å | 0.95Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | O10 | doub | 1.21Å | 1.25Å | |
| C19 | O9 | sing | 1.34Å | 1.25Å | |
| O9 | H32 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.39Å | |
| C12 | N4 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 118.2° | 120.0° |
| O1 | C1 | N1 | 121.1° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 120.7° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.4° | 109.4° |
| C3 | N1 | H4 | 119.0° | 120.0° |
| N1 | C3 | C4 | 115.1° | 109.5° |
| N1 | C3 | C5 | 103.7° | 109.5° |
| N1 | C3 | H5 | 109.3° | 109.4° |
| C3 | N1 | C1 | 121.9° | 120.0° |
| H4 | N1 | C1 | 119.0° | 120.0° |
| C4 | C3 | C5 | 111.4° | 109.5° |
| C4 | C3 | H5 | 108.6° | 109.5° |
| C3 | C4 | O2 | 120.8° | 120.0° |
| C3 | C4 | N2 | 115.7° | 120.0° |
| C5 | C3 | H5 | 108.5° | 109.5° |
| C3 | C5 | C6 | 114.2° | 109.5° |
| C3 | C5 | H6 | 108.3° | 109.5° |
| C3 | C5 | H7 | 108.3° | 109.5° |
| O2 | C4 | N2 | 123.5° | 120.0° |
| C6 | C5 | H6 | 108.3° | 109.5° |
| C6 | C5 | H7 | 108.3° | 109.5° |
| C5 | C6 | C7 | 112.5° | 109.4° |
| C5 | C6 | H8 | 108.7° | 109.5° |
| C5 | C6 | H9 | 108.7° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| C7 | C6 | H8 | 108.7° | 109.5° |
| C7 | C6 | H9 | 108.7° | 109.5° |
| C6 | C7 | O3 | 118.4° | 120.0° |
| C6 | C7 | O4 | 118.3° | 120.0° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| O3 | C7 | O4 | 123.4° | 120.0° |
| C7 | O4 | H10 | 109.5° | 117.0° |
| C8 | N2 | H11 | 118.7° | 119.9° |
| N2 | C8 | C9 | 109.1° | 109.5° |
| N2 | C8 | C10 | 110.8° | 109.5° |
| N2 | C8 | H12 | 109.4° | 109.4° |
| C8 | N2 | C4 | 122.5° | 120.0° |
| H11 | N2 | C4 | 118.7° | 120.1° |
| C9 | C8 | C10 | 110.7° | 109.5° |
| C9 | C8 | H12 | 108.4° | 109.4° |
| C8 | C9 | O5 | 120.5° | 120.1° |
| C8 | C9 | N3 | 116.7° | 120.0° |
| C10 | C8 | H12 | 108.4° | 109.5° |
| C8 | C10 | O6 | 111.5° | 109.5° |
| C8 | C10 | H13 | 109.0° | 109.5° |
| C8 | C10 | H14 | 109.0° | 109.5° |
| O5 | C9 | N3 | 122.7° | 120.0° |
| O6 | C10 | H13 | 108.9° | 109.4° |
| O6 | C10 | H14 | 109.0° | 109.4° |
| C10 | O6 | H15 | 109.5° | 114.1° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| C11 | N3 | H16 | 119.2° | 120.0° |
| N3 | C11 | C12 | 115.2° | 109.5° |
| N3 | C11 | C13 | 108.7° | 109.4° |
| N3 | C11 | H17 | 108.1° | 109.4° |
| C11 | N3 | C9 | 121.5° | 120.0° |
| H16 | N3 | C9 | 119.3° | 120.0° |
| C12 | C11 | C13 | 110.0° | 109.5° |
| C12 | C11 | H17 | 107.3° | 109.5° |
| C11 | C12 | O7 | 120.9° | 120.0° |
| C11 | C12 | N4 | 115.6° | 120.0° |
| C13 | C11 | H17 | 107.3° | 109.5° |
| C11 | C13 | C14 | 112.8° | 109.5° |
| C11 | C13 | H18 | 108.6° | 109.5° |
| C11 | C13 | H19 | 108.7° | 109.4° |
| O7 | C12 | N4 | 123.5° | 120.0° |
| C14 | C13 | H18 | 108.6° | 109.5° |
| C14 | C13 | H19 | 108.6° | 109.5° |
| C13 | C14 | S1 | 113.1° | 109.5° |
| C13 | C14 | H20 | 108.5° | 109.5° |
| C13 | C14 | H21 | 108.5° | 109.4° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| S1 | C14 | H20 | 108.6° | 109.5° |
| S1 | C14 | H21 | 108.5° | 109.5° |
| C14 | S1 | C15 | 100.6° | 103.0° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| S1 | C15 | H22 | 109.5° | 109.5° |
| S1 | C15 | H23 | 109.5° | 109.5° |
| S1 | C15 | H24 | 109.4° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H22 | C15 | H24 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.4° |
| O8 | C16 | C17 | 111.3° | 109.5° |
| O8 | C16 | H25 | 109.0° | 109.4° |
| O8 | C16 | H26 | 109.0° | 109.5° |
| C16 | O8 | H28 | 109.5° | 114.1° |
| C17 | C16 | H25 | 109.0° | 109.5° |
| C17 | C16 | H26 | 109.0° | 109.5° |
| C16 | C17 | N4 | 112.7° | 109.4° |
| C16 | C17 | C18 | 107.0° | 109.5° |
| C16 | C17 | H29 | 108.6° | 109.4° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| C17 | N4 | H27 | 118.4° | 120.0° |
| N4 | C17 | C18 | 110.6° | 109.5° |
| N4 | C17 | H29 | 109.3° | 109.5° |
| C17 | N4 | C12 | 123.3° | 120.0° |
| H27 | N4 | C12 | 118.4° | 120.0° |
| C18 | C17 | H29 | 108.5° | 109.5° |
| C17 | C18 | C19 | 112.8° | 109.5° |
| C17 | C18 | H30 | 108.6° | 109.5° |
| C17 | C18 | H31 | 108.7° | 109.5° |
| C19 | C18 | H30 | 108.6° | 109.5° |
| C19 | C18 | H31 | 108.6° | 109.4° |
| C18 | C19 | O10 | 118.2° | 120.0° |
| C18 | C19 | O9 | 118.0° | 120.0° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| O10 | C19 | O9 | 123.7° | 120.0° |
| C19 | O9 | H32 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.0° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 161.0° | 0.0° |
| O1 | C1 | N1 | H4 | 19.0° | 180.0° |
| 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 | 21.0° | 179.7° |
| C2 | C1 | N1 | H4 | 159.0° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 178.0° | 179.8° |
| H2 | C2 | C1 | N1 | 58.0° | 59.7° |
| H3 | C2 | C1 | N1 | 61.9° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 117.6° | 120.0° |
| N1 | C3 | C4 | H5 | 122.9° | 120.0° |
| N1 | C3 | C5 | H5 | 116.1° | 119.9° |
| N1 | C3 | C4 | O2 | 27.7° | 20.0° |
| N1 | C3 | C5 | C6 | 86.4° | 65.0° |
| N1 | C3 | C5 | H6 | 34.3° | 55.0° |
| N1 | C3 | C5 | H7 | 152.9° | 175.0° |
| N1 | C3 | C4 | N2 | 152.0° | 160.0° |
| H4 | N1 | C3 | C4 | 111.7° | 120.0° |
| H4 | N1 | C3 | C5 | 10.2° | 120.0° |
| H4 | N1 | C3 | H5 | 125.8° | 0.0° |
| C4 | C3 | C5 | H5 | 119.5° | 120.1° |
| C3 | C4 | O2 | N2 | 179.6° | 179.9° |
| C4 | C3 | C5 | C6 | 149.2° | 175.0° |
| C4 | C3 | C5 | H6 | 90.1° | 65.0° |
| C4 | C3 | C5 | H7 | 28.5° | 55.0° |
| C3 | C4 | N2 | C8 | 178.7° | 180.0° |
| C3 | C4 | N2 | H11 | 1.4° | 0.1° |
| C4 | C3 | N1 | C1 | 68.3° | 60.0° |
| C5 | C3 | C4 | O2 | 90.0° | 100.0° |
| C3 | C5 | C6 | H6 | 120.7° | 120.0° |
| C3 | C5 | C6 | H7 | 120.7° | 120.0° |
| C3 | C5 | H6 | H7 | 117.8° | 120.0° |
| C3 | C5 | C6 | C7 | 126.2° | 180.0° |
| C3 | C5 | C6 | H8 | 113.3° | 60.0° |
| C3 | C5 | C6 | H9 | 5.8° | 60.0° |
| C5 | C3 | N1 | C1 | 169.8° | 60.0° |
| C5 | C3 | C4 | N2 | 90.3° | 80.0° |
| H5 | C3 | C4 | O2 | 150.5° | 140.0° |
| H5 | C3 | C5 | C6 | 29.7° | 55.0° |
| H5 | C3 | C5 | H6 | 150.4° | 174.9° |
| H5 | C3 | C5 | H7 | 91.0° | 65.1° |
| H5 | C3 | N1 | C1 | 54.2° | 180.0° |
| H5 | C3 | C4 | N2 | 29.1° | 40.1° |
| O2 | C4 | N2 | C8 | 1.7° | 0.1° |
| O2 | C4 | N2 | H11 | 178.3° | 180.0° |
| C6 | C5 | H6 | H7 | 117.8° | 120.0° |
| C5 | C6 | C7 | H8 | 120.4° | 120.0° |
| C5 | C6 | C7 | H9 | 120.4° | 120.0° |
| C5 | C6 | H8 | H9 | 118.6° | 120.0° |
| C5 | C6 | C7 | O3 | 174.4° | 0.0° |
| C5 | C6 | C7 | O4 | 5.9° | 180.0° |
| H6 | C5 | C6 | C7 | 5.5° | 60.0° |
| H6 | C5 | C6 | H8 | 126.0° | 180.0° |
| H6 | C5 | C6 | H9 | 114.9° | 60.0° |
| H7 | C5 | C6 | C7 | 113.1° | 59.9° |
| H7 | C5 | C6 | H8 | 7.4° | 60.0° |
| H7 | C5 | C6 | H9 | 126.5° | 180.0° |
| C7 | C6 | H8 | H9 | 118.6° | 120.0° |
| C6 | C7 | O3 | O4 | 179.7° | 180.0° |
| C6 | C7 | O4 | H10 | 179.7° | 180.0° |
| H8 | C6 | C7 | O3 | 53.9° | 120.0° |
| H8 | C6 | C7 | O4 | 126.4° | 60.0° |
| H9 | C6 | C7 | O3 | 65.2° | 120.0° |
| H9 | C6 | C7 | O4 | 114.5° | 60.0° |
| O3 | C7 | O4 | H10 | 0.0° | 0.0° |
| C8 | N2 | H11 | C4 | 180.0° | 179.9° |
| N2 | C8 | C9 | C10 | 122.2° | 120.1° |
| N2 | C8 | C9 | H12 | 119.0° | 119.9° |
| N2 | C8 | C10 | H12 | 120.0° | 120.0° |
| N2 | C8 | C9 | O5 | 7.8° | 0.1° |
| N2 | C8 | C10 | O6 | 52.2° | 65.0° |
| N2 | C8 | C10 | H13 | 172.5° | 175.0° |
| N2 | C8 | C10 | H14 | 68.1° | 55.0° |
| N2 | C8 | C9 | N3 | 172.6° | 180.0° |
| H11 | N2 | C8 | C9 | 64.3° | 25.1° |
| H11 | N2 | C8 | C10 | 57.9° | 95.0° |
| H11 | N2 | C8 | H12 | 177.3° | 145.0° |
| C9 | C8 | C10 | H12 | 118.8° | 120.0° |
| C8 | C9 | O5 | N3 | 179.7° | 179.9° |
| C9 | C8 | C10 | O6 | 69.0° | 55.0° |
| C9 | C8 | C10 | H13 | 51.3° | 65.0° |
| C9 | C8 | C10 | H14 | 170.7° | 175.0° |
| C8 | C9 | N3 | C11 | 178.0° | 180.0° |
| C8 | C9 | N3 | H16 | 2.1° | 0.0° |
| C9 | C8 | N2 | C4 | 115.8° | 155.0° |
| C10 | C8 | C9 | O5 | 114.4° | 120.0° |
| C8 | C10 | O6 | H13 | 120.3° | 120.0° |
| C8 | C10 | O6 | H14 | 120.3° | 120.0° |
| C8 | C10 | H13 | H14 | 119.1° | 120.1° |
| C8 | C10 | O6 | H15 | 180.0° | 179.9° |
| C10 | C8 | N2 | C4 | 122.1° | 84.9° |
| C10 | C8 | C9 | N3 | 65.3° | 60.0° |
| H12 | C8 | C9 | O5 | 126.8° | 120.0° |
| H12 | C8 | C10 | O6 | 172.2° | 175.0° |
| H12 | C8 | C10 | H13 | 67.5° | 55.0° |
| H12 | C8 | C10 | H14 | 51.9° | 65.0° |
| H12 | C8 | N2 | C4 | 2.7° | 35.1° |
| H12 | C8 | C9 | N3 | 53.5° | 60.1° |
| O5 | C9 | N3 | C11 | 2.4° | 0.0° |
| O5 | C9 | N3 | H16 | 177.6° | 180.0° |
| O6 | C10 | H13 | H14 | 119.1° | 119.9° |
| H13 | C10 | O6 | H15 | 59.7° | 59.9° |
| H14 | C10 | O6 | H15 | 59.7° | 60.0° |
| C11 | N3 | H16 | C9 | 180.0° | 180.0° |
| N3 | C11 | C12 | C13 | 123.3° | 119.9° |
| N3 | C11 | C12 | H17 | 120.3° | 120.0° |
| N3 | C11 | C13 | H17 | 116.7° | 120.0° |
| N3 | C11 | C12 | O7 | 26.9° | 0.0° |
| N3 | C11 | C13 | C14 | 59.5° | 65.0° |
| N3 | C11 | C13 | H18 | 61.0° | 55.0° |
| N3 | C11 | C13 | H19 | 180.0° | 175.0° |
| N3 | C11 | C12 | N4 | 153.5° | 180.0° |
| H16 | N3 | C11 | C12 | 65.3° | 25.0° |
| H16 | N3 | C11 | C13 | 58.7° | 95.0° |
| H16 | N3 | C11 | H17 | 174.8° | 144.9° |
| C12 | C11 | C13 | H17 | 116.3° | 120.0° |
| C11 | C12 | O7 | N4 | 179.6° | 179.9° |
| C12 | C11 | C13 | C14 | 173.5° | 175.0° |
| C12 | C11 | C13 | H18 | 66.0° | 64.9° |
| C12 | C11 | C13 | H19 | 53.0° | 55.0° |
| C11 | C12 | N4 | C17 | 179.6° | 180.0° |
| C11 | C12 | N4 | H27 | 0.4° | 0.0° |
| C12 | C11 | N3 | C9 | 114.7° | 155.0° |
| C13 | C11 | C12 | O7 | 96.4° | 120.0° |
| C11 | C13 | C14 | H18 | 120.5° | 120.1° |
| C11 | C13 | C14 | H19 | 120.5° | 119.9° |
| C11 | C13 | H18 | H19 | 118.5° | 119.9° |
| C11 | C13 | C14 | S1 | 150.0° | 179.9° |
| C11 | C13 | C14 | H20 | 89.5° | 60.0° |
| C11 | C13 | C14 | H21 | 29.4° | 60.1° |
| C13 | C11 | C12 | N4 | 83.2° | 60.1° |
| C13 | C11 | N3 | C9 | 121.3° | 85.0° |
| H17 | C11 | C12 | O7 | 147.3° | 119.9° |
| H17 | C11 | C13 | C14 | 57.2° | 54.9° |
| H17 | C11 | C13 | H18 | 177.6° | 175.0° |
| H17 | C11 | C13 | H19 | 63.3° | 65.0° |
| H17 | C11 | C12 | N4 | 33.1° | 60.0° |
| H17 | C11 | N3 | C9 | 5.2° | 35.1° |
| O7 | C12 | N4 | C17 | 0.7° | 0.0° |
| O7 | C12 | N4 | H27 | 179.2° | 180.0° |
| C14 | C13 | H18 | H19 | 118.5° | 120.0° |
| C13 | C14 | S1 | H20 | 120.5° | 120.0° |
| C13 | C14 | S1 | H21 | 120.5° | 119.9° |
| C13 | C14 | H20 | H21 | 118.3° | 120.0° |
| C13 | C14 | S1 | C15 | 89.9° | 180.0° |
| H18 | C13 | C14 | S1 | 29.5° | 60.0° |
| H18 | C13 | C14 | H20 | 150.0° | 180.0° |
| H18 | C13 | C14 | H21 | 91.1° | 60.0° |
| H19 | C13 | C14 | S1 | 89.5° | 60.0° |
| H19 | C13 | C14 | H20 | 31.0° | 59.9° |
| H19 | C13 | C14 | H21 | 149.9° | 180.0° |
| S1 | C14 | H20 | H21 | 118.3° | 120.0° |
| C14 | S1 | C15 | H22 | 180.0° | 180.0° |
| C14 | S1 | C15 | H23 | 60.0° | 60.0° |
| C14 | S1 | C15 | H24 | 60.0° | 59.9° |
| H20 | C14 | S1 | C15 | 149.5° | 60.0° |
| H21 | C14 | S1 | C15 | 30.6° | 60.0° |
| S1 | C15 | H22 | H23 | 120.0° | 120.0° |
| S1 | C15 | H22 | H24 | 120.0° | 120.0° |
| S1 | C15 | H23 | H24 | 120.0° | 120.0° |
| H22 | C15 | H23 | H24 | 120.0° | 120.1° |
| O8 | C16 | C17 | H25 | 120.3° | 120.0° |
| O8 | C16 | C17 | H26 | 120.3° | 120.0° |
| O8 | C16 | H25 | H26 | 119.2° | 120.0° |
| O8 | C16 | C17 | N4 | 116.0° | 65.1° |
| O8 | C16 | C17 | C18 | 122.2° | 55.0° |
| O8 | C16 | C17 | H29 | 5.3° | 175.0° |
| C17 | C16 | H25 | H26 | 119.2° | 120.0° |
| C16 | C17 | N4 | C18 | 119.7° | 120.0° |
| C16 | C17 | N4 | H29 | 120.9° | 119.9° |
| C16 | C17 | N4 | H27 | 64.6° | 95.0° |
| C17 | C16 | O8 | H28 | 180.0° | 179.9° |
| C16 | C17 | C18 | H29 | 117.0° | 120.0° |
| C16 | C17 | C18 | C19 | 153.6° | 175.0° |
| C16 | C17 | C18 | H30 | 85.9° | 65.0° |
| C16 | C17 | C18 | H31 | 33.1° | 55.1° |
| C16 | C17 | N4 | C12 | 115.3° | 85.0° |
| H25 | C16 | C17 | N4 | 4.3° | 175.0° |
| H25 | C16 | O8 | H28 | 59.8° | 60.0° |
| H25 | C16 | C17 | C18 | 117.5° | 65.0° |
| H25 | C16 | C17 | H29 | 125.6° | 55.0° |
| H26 | C16 | C17 | N4 | 123.7° | 55.0° |
| H26 | C16 | O8 | H28 | 59.7° | 60.0° |
| H26 | C16 | C17 | C18 | 1.9° | 175.0° |
| H26 | C16 | C17 | H29 | 115.0° | 65.0° |
| C17 | N4 | H27 | C12 | 180.0° | 180.0° |
| N4 | C17 | C18 | H29 | 119.9° | 120.0° |
| N4 | C17 | C18 | C19 | 83.3° | 65.0° |
| N4 | C17 | C18 | H30 | 37.2° | 55.0° |
| N4 | C17 | C18 | H31 | 156.2° | 175.0° |
| H27 | N4 | C17 | C18 | 55.1° | 25.0° |
| H27 | N4 | C17 | H29 | 174.5° | 145.0° |
| C17 | C18 | C19 | H30 | 120.5° | 120.0° |
| C17 | C18 | C19 | H31 | 120.5° | 120.0° |
| C17 | C18 | H30 | H31 | 118.5° | 120.0° |
| C17 | C18 | C19 | O10 | 26.3° | 0.0° |
| C17 | C18 | C19 | O9 | 153.7° | 180.0° |
| C18 | C17 | N4 | C12 | 124.9° | 155.0° |
| H29 | C17 | C18 | C19 | 36.6° | 55.0° |
| H29 | C17 | C18 | H30 | 157.1° | 175.0° |
| H29 | C17 | C18 | H31 | 83.9° | 64.9° |
| H29 | C17 | N4 | C12 | 5.6° | 35.0° |
| C19 | C18 | H30 | H31 | 118.5° | 119.9° |
| C18 | C19 | O10 | O9 | 180.0° | 180.0° |
| C18 | C19 | O9 | H32 | 180.0° | 180.0° |
| H30 | C18 | C19 | O10 | 146.8° | 120.0° |
| H30 | C18 | C19 | O9 | 33.2° | 60.0° |
| H31 | C18 | C19 | O10 | 94.2° | 120.0° |
| H31 | C18 | C19 | O9 | 85.8° | 60.0° |
| O10 | C19 | O9 | H32 | 0.0° | 0.0° |
