PRD_000431
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| 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 | 1.46Å | |
| 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 | 1.26Å | |
| C6 | O4 | sing | 1.34Å | 1.26Å | |
| 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 | 1.53Å | |
| 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 | 1.53Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | S1 | sing | 1.81Å | 1.80Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| S1 | C11 | sing | 1.81Å | 1.80Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.46Å | 1.46Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | O6 | doub | 1.21Å | 1.24Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | O7 | doub | 1.21Å | 1.23Å | |
| C16 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C17 | O8 | sing | 1.43Å | 1.39Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| 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 | 1.54Å | |
| 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 | 1.32Å | |
| N5 | C13 | sing | 1.35Å | 1.32Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C8 | N3 | sing | 1.35Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.2° | 120.1° |
| O1 | C1 | N1 | 123.8° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 116.0° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 117.8° | 120.0° |
| N1 | C3 | C4 | 110.5° | 109.5° |
| N1 | C3 | C5 | 111.0° | 109.4° |
| N1 | C3 | H5 | 108.9° | 109.4° |
| C3 | N1 | C1 | 124.5° | 120.0° |
| H4 | N1 | C1 | 117.7° | 120.0° |
| C4 | C3 | C5 | 110.2° | 109.5° |
| C4 | C3 | H5 | 108.1° | 109.5° |
| C3 | C4 | O2 | 121.9° | 120.0° |
| C3 | C4 | N2 | 118.5° | 120.0° |
| C5 | C3 | H5 | 108.0° | 109.5° |
| C3 | C5 | C6 | 116.6° | 109.5° |
| C3 | C5 | H6 | 107.7° | 109.5° |
| C3 | C5 | H7 | 107.7° | 109.4° |
| O2 | C4 | N2 | 119.6° | 120.0° |
| C6 | C5 | H6 | 107.7° | 109.5° |
| C6 | C5 | H7 | 107.7° | 109.4° |
| C5 | C6 | O3 | 121.5° | 120.0° |
| C5 | C6 | O4 | 118.0° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| O3 | C6 | O4 | 120.5° | 120.0° |
| C6 | O4 | H8 | 109.5° | 117.0° |
| C7 | N2 | H9 | 120.0° | 120.0° |
| N2 | C7 | C8 | 108.8° | 109.5° |
| N2 | C7 | C9 | 110.6° | 109.5° |
| N2 | C7 | H10 | 109.7° | 109.4° |
| C7 | N2 | C4 | 120.0° | 120.1° |
| H9 | N2 | C4 | 120.0° | 120.0° |
| C8 | C7 | C9 | 110.1° | 109.5° |
| C8 | C7 | H10 | 108.8° | 109.5° |
| C7 | C8 | O5 | 116.5° | 120.0° |
| C7 | C8 | N3 | 118.4° | 120.0° |
| C9 | C7 | H10 | 108.9° | 109.4° |
| C7 | C9 | C10 | 112.6° | 109.5° |
| C7 | C9 | H11 | 108.7° | 109.5° |
| C7 | C9 | H12 | 108.7° | 109.5° |
| O5 | C8 | N3 | 125.0° | 120.0° |
| C10 | C9 | H11 | 108.7° | 109.4° |
| C10 | C9 | H12 | 108.7° | 109.5° |
| C9 | C10 | S1 | 113.1° | 109.5° |
| C9 | C10 | H13 | 108.6° | 109.4° |
| C9 | C10 | H14 | 108.5° | 109.5° |
| H11 | C9 | H12 | 109.4° | 109.5° |
| S1 | C10 | H13 | 108.5° | 109.5° |
| S1 | C10 | H14 | 108.5° | 109.5° |
| C10 | S1 | C11 | 100.4° | 103.0° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| S1 | C11 | H15 | 109.5° | 109.5° |
| S1 | C11 | H16 | 109.5° | 109.4° |
| S1 | C11 | H17 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.4° | 109.4° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.5° |
| C12 | N3 | H18 | 118.8° | 120.0° |
| N3 | C12 | C13 | 111.4° | 109.5° |
| N3 | C12 | C14 | 111.4° | 109.5° |
| N3 | C12 | H19 | 109.2° | 109.5° |
| C12 | N3 | C8 | 122.5° | 120.0° |
| H18 | N3 | C8 | 118.8° | 120.0° |
| C13 | C12 | C14 | 108.2° | 109.5° |
| C13 | C12 | H19 | 108.3° | 109.4° |
| C12 | C13 | O6 | 120.0° | 120.0° |
| C12 | C13 | N5 | 115.5° | 120.0° |
| C14 | C12 | H19 | 108.2° | 109.5° |
| C12 | C14 | C15 | 115.0° | 109.4° |
| C12 | C14 | H20 | 108.1° | 109.5° |
| C12 | C14 | H21 | 108.1° | 109.5° |
| O6 | C13 | N5 | 124.5° | 120.0° |
| C15 | C14 | H20 | 108.1° | 109.5° |
| C15 | C14 | H21 | 108.1° | 109.5° |
| C14 | C15 | C16 | 113.4° | 109.4° |
| C14 | C15 | H22 | 108.5° | 109.5° |
| C14 | C15 | H23 | 108.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| C16 | C15 | H22 | 108.5° | 109.5° |
| C16 | C15 | H23 | 108.5° | 109.5° |
| C15 | C16 | O7 | 122.1° | 120.0° |
| C15 | C16 | N4 | 116.2° | 119.9° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| O7 | C16 | N4 | 121.7° | 120.0° |
| C16 | N4 | H24 | 120.0° | 120.1° |
| C16 | N4 | H25 | 120.0° | 120.0° |
| H24 | N4 | H25 | 120.0° | 120.0° |
| O8 | C17 | C18 | 123.5° | 109.5° |
| O8 | C17 | H26 | 105.9° | 109.5° |
| O8 | C17 | H27 | 105.9° | 109.5° |
| C17 | O8 | H29 | 109.5° | 114.0° |
| C18 | C17 | H26 | 105.9° | 109.5° |
| C18 | C17 | H27 | 105.9° | 109.4° |
| C17 | C18 | N5 | 112.6° | 109.5° |
| C17 | C18 | C19 | 107.1° | 109.4° |
| C17 | C18 | H30 | 109.1° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.4° |
| C18 | N5 | H28 | 117.7° | 120.0° |
| N5 | C18 | C19 | 109.8° | 109.5° |
| N5 | C18 | H30 | 109.6° | 109.5° |
| C18 | N5 | C13 | 124.7° | 120.0° |
| H28 | N5 | C13 | 117.7° | 120.0° |
| C19 | C18 | H30 | 108.5° | 109.5° |
| C18 | C19 | C20 | 114.2° | 109.4° |
| C18 | C19 | H31 | 108.3° | 109.5° |
| C18 | C19 | H32 | 108.3° | 109.5° |
| C20 | C19 | H31 | 108.3° | 109.5° |
| C20 | C19 | H32 | 108.3° | 109.5° |
| C19 | C20 | O10 | 117.6° | 120.0° |
| C19 | C20 | O9 | 118.0° | 120.0° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| O10 | C20 | O9 | 124.4° | 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 | 179.9° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 119.9° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 4.4° | 4.9° |
| O1 | C1 | N1 | H4 | 175.6° | 175.2° |
| 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 | 175.8° | 174.8° |
| C2 | C1 | N1 | H4 | 4.2° | 5.1° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.8° | 179.7° |
| H2 | C2 | C1 | N1 | 59.9° | 59.8° |
| H3 | C2 | C1 | N1 | 60.2° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 123.0° | 120.0° |
| N1 | C3 | C4 | H5 | 119.1° | 120.0° |
| N1 | C3 | C5 | H5 | 119.3° | 119.9° |
| N1 | C3 | C4 | O2 | 57.2° | 0.0° |
| N1 | C3 | C5 | C6 | 70.5° | 65.6° |
| N1 | C3 | C5 | H6 | 50.6° | 54.4° |
| N1 | C3 | C5 | H7 | 168.5° | 174.4° |
| N1 | C3 | C4 | N2 | 122.2° | 180.0° |
| H4 | N1 | C3 | C4 | 100.9° | 98.3° |
| H4 | N1 | C3 | C5 | 21.7° | 21.7° |
| H4 | N1 | C3 | H5 | 140.5° | 141.7° |
| C4 | C3 | C5 | H5 | 117.9° | 120.0° |
| C3 | C4 | O2 | N2 | 179.5° | 180.0° |
| C4 | C3 | C5 | C6 | 166.8° | 174.4° |
| C4 | C3 | C5 | H6 | 72.2° | 65.6° |
| C4 | C3 | C5 | H7 | 45.8° | 54.4° |
| C3 | C4 | N2 | C7 | 179.8° | 180.0° |
| C3 | C4 | N2 | H9 | 0.2° | 0.0° |
| C4 | C3 | N1 | C1 | 79.1° | 81.7° |
| C5 | C3 | C4 | O2 | 65.8° | 120.0° |
| C3 | C5 | C6 | H6 | 121.0° | 120.0° |
| C3 | C5 | C6 | H7 | 121.0° | 119.9° |
| C3 | C5 | H6 | H7 | 116.8° | 120.0° |
| C3 | C5 | C6 | O3 | 27.6° | 5.5° |
| C3 | C5 | C6 | O4 | 152.9° | 174.5° |
| C5 | C3 | N1 | C1 | 158.4° | 158.3° |
| C5 | C3 | C4 | N2 | 114.7° | 60.0° |
| H5 | C3 | C4 | O2 | 176.3° | 120.0° |
| H5 | C3 | C5 | C6 | 48.8° | 54.3° |
| H5 | C3 | C5 | H6 | 169.9° | 174.4° |
| H5 | C3 | C5 | H7 | 72.2° | 65.6° |
| H5 | C3 | N1 | C1 | 39.6° | 38.4° |
| H5 | C3 | C4 | N2 | 3.1° | 60.0° |
| O2 | C4 | N2 | C7 | 0.3° | 0.0° |
| O2 | C4 | N2 | H9 | 179.7° | 180.0° |
| C6 | C5 | H6 | H7 | 116.8° | 120.0° |
| C5 | C6 | O3 | O4 | 179.4° | 180.0° |
| C5 | C6 | O4 | H8 | 179.4° | 180.0° |
| H6 | C5 | C6 | O3 | 148.7° | 125.5° |
| H6 | C5 | C6 | O4 | 31.9° | 54.4° |
| H7 | C5 | C6 | O3 | 93.4° | 114.4° |
| H7 | C5 | C6 | O4 | 86.0° | 65.6° |
| O3 | C6 | O4 | H8 | 0.0° | 0.0° |
| C7 | N2 | H9 | C4 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 121.3° | 120.0° |
| N2 | C7 | C8 | H10 | 119.5° | 120.0° |
| N2 | C7 | C9 | H10 | 120.6° | 119.9° |
| N2 | C7 | C8 | O5 | 5.2° | 0.0° |
| N2 | C7 | C9 | C10 | 50.7° | 64.9° |
| N2 | C7 | C9 | H11 | 69.8° | 55.0° |
| N2 | C7 | C9 | H12 | 171.2° | 175.0° |
| N2 | C7 | C8 | N3 | 176.6° | 180.0° |
| H9 | N2 | C7 | C8 | 50.7° | 25.0° |
| H9 | N2 | C7 | C9 | 70.3° | 95.0° |
| H9 | N2 | C7 | H10 | 169.7° | 145.0° |
| C8 | C7 | C9 | H10 | 119.2° | 120.0° |
| C7 | C8 | O5 | N3 | 178.1° | 180.0° |
| C8 | C7 | C9 | C10 | 170.9° | 175.0° |
| C8 | C7 | C9 | H11 | 50.4° | 65.0° |
| C8 | C7 | C9 | H12 | 68.6° | 55.0° |
| C7 | C8 | N3 | C12 | 177.2° | 180.0° |
| C7 | C8 | N3 | H18 | 2.9° | 0.1° |
| C8 | C7 | N2 | C4 | 129.3° | 155.0° |
| C9 | C7 | C8 | O5 | 116.1° | 120.0° |
| C7 | C9 | C10 | H11 | 120.5° | 120.0° |
| C7 | C9 | C10 | H12 | 120.5° | 120.0° |
| C7 | C9 | H11 | H12 | 118.5° | 120.0° |
| C7 | C9 | C10 | S1 | 174.2° | 180.0° |
| C7 | C9 | C10 | H13 | 65.3° | 60.0° |
| C7 | C9 | C10 | H14 | 53.6° | 59.9° |
| C9 | C7 | N2 | C4 | 109.7° | 85.0° |
| C9 | C7 | C8 | N3 | 62.1° | 60.0° |
| H10 | C7 | C8 | O5 | 124.7° | 120.0° |
| H10 | C7 | C9 | C10 | 69.9° | 55.0° |
| H10 | C7 | C9 | H11 | 169.6° | 175.0° |
| H10 | C7 | C9 | H12 | 50.6° | 65.0° |
| H10 | C7 | N2 | C4 | 10.4° | 34.9° |
| H10 | C7 | C8 | N3 | 57.1° | 60.0° |
| O5 | C8 | N3 | C12 | 4.8° | 0.0° |
| O5 | C8 | N3 | H18 | 175.2° | 180.0° |
| C10 | C9 | H11 | H12 | 118.6° | 120.0° |
| C9 | C10 | S1 | H13 | 120.6° | 120.0° |
| C9 | C10 | S1 | H14 | 120.5° | 120.1° |
| C9 | C10 | H13 | H14 | 118.3° | 120.0° |
| C9 | C10 | S1 | C11 | 89.0° | 180.0° |
| H11 | C9 | C10 | S1 | 53.7° | 60.0° |
| H11 | C9 | C10 | H13 | 174.2° | 180.0° |
| H11 | C9 | C10 | H14 | 66.9° | 60.1° |
| H12 | C9 | C10 | S1 | 65.4° | 60.0° |
| H12 | C9 | C10 | H13 | 55.2° | 60.0° |
| H12 | C9 | C10 | H14 | 174.1° | 180.0° |
| S1 | C10 | H13 | H14 | 118.3° | 120.0° |
| C10 | S1 | C11 | H15 | 180.0° | 60.0° |
| C10 | S1 | C11 | H16 | 60.0° | 60.0° |
| C10 | S1 | C11 | H17 | 60.0° | 180.0° |
| H13 | C10 | S1 | C11 | 31.6° | 60.0° |
| H14 | C10 | S1 | C11 | 150.5° | 60.0° |
| S1 | C11 | H15 | H16 | 120.0° | 119.9° |
| S1 | C11 | H15 | H17 | 120.0° | 120.1° |
| S1 | C11 | H16 | H17 | 120.0° | 120.1° |
| H15 | C11 | H16 | H17 | 120.0° | 120.0° |
| C12 | N3 | H18 | C8 | 180.0° | 179.9° |
| N3 | C12 | C13 | C14 | 122.8° | 120.0° |
| N3 | C12 | C13 | H19 | 120.1° | 120.0° |
| N3 | C12 | C14 | H19 | 120.1° | 120.1° |
| N3 | C12 | C13 | O6 | 39.8° | 0.1° |
| N3 | C12 | C14 | C15 | 58.6° | 65.0° |
| N3 | C12 | C14 | H20 | 62.2° | 55.0° |
| N3 | C12 | C14 | H21 | 179.4° | 175.0° |
| N3 | C12 | C13 | N5 | 141.1° | 180.0° |
| H18 | N3 | C12 | C13 | 67.2° | 25.0° |
| H18 | N3 | C12 | C14 | 53.7° | 95.0° |
| H18 | N3 | C12 | H19 | 173.2° | 144.9° |
| C13 | C12 | C14 | H19 | 117.2° | 119.9° |
| C12 | C13 | O6 | N5 | 178.9° | 179.9° |
| C13 | C12 | C14 | C15 | 178.6° | 175.0° |
| C13 | C12 | C14 | H20 | 60.6° | 65.0° |
| C13 | C12 | C14 | H21 | 57.8° | 55.0° |
| C12 | C13 | N5 | C18 | 174.5° | 180.0° |
| C12 | C13 | N5 | H28 | 5.5° | 0.0° |
| C13 | C12 | N3 | C8 | 112.8° | 154.9° |
| C14 | C12 | C13 | O6 | 82.9° | 119.9° |
| C12 | C14 | C15 | H20 | 120.8° | 120.0° |
| C12 | C14 | C15 | H21 | 120.8° | 120.0° |
| C12 | C14 | H20 | H21 | 117.5° | 120.0° |
| C12 | C14 | C15 | C16 | 89.1° | 180.0° |
| C12 | C14 | C15 | H22 | 150.3° | 60.0° |
| C12 | C14 | C15 | H23 | 31.4° | 60.0° |
| C14 | C12 | C13 | N5 | 96.1° | 60.0° |
| C14 | C12 | N3 | C8 | 126.3° | 85.1° |
| H19 | C12 | C13 | O6 | 160.0° | 120.1° |
| H19 | C12 | C14 | C15 | 61.5° | 55.1° |
| H19 | C12 | C14 | H20 | 177.7° | 175.0° |
| H19 | C12 | C14 | H21 | 59.3° | 64.9° |
| H19 | C12 | C13 | N5 | 21.0° | 60.0° |
| H19 | C12 | N3 | C8 | 6.8° | 35.0° |
| O6 | C13 | N5 | C18 | 4.5° | 0.1° |
| O6 | C13 | N5 | H28 | 175.5° | 179.9° |
| C15 | C14 | H20 | H21 | 117.5° | 120.0° |
| C14 | C15 | C16 | H22 | 120.6° | 120.0° |
| C14 | C15 | C16 | H23 | 120.6° | 120.0° |
| C14 | C15 | H22 | H23 | 118.2° | 120.0° |
| C14 | C15 | C16 | O7 | 43.9° | 0.0° |
| C14 | C15 | C16 | N4 | 136.3° | 180.0° |
| H20 | C14 | C15 | C16 | 31.7° | 60.0° |
| H20 | C14 | C15 | H22 | 88.9° | 180.0° |
| H20 | C14 | C15 | H23 | 152.3° | 60.0° |
| H21 | C14 | C15 | C16 | 150.1° | 60.0° |
| H21 | C14 | C15 | H22 | 29.5° | 60.0° |
| H21 | C14 | C15 | H23 | 89.4° | NaN° |
| C16 | C15 | H22 | H23 | 118.2° | 120.0° |
| C15 | C16 | O7 | N4 | 179.8° | 180.0° |
| C15 | C16 | N4 | H24 | 179.8° | 0.1° |
| C15 | C16 | N4 | H25 | 0.2° | 180.0° |
| H22 | C15 | C16 | O7 | 76.7° | 120.0° |
| H22 | C15 | C16 | N4 | 103.1° | 60.0° |
| H23 | C15 | C16 | O7 | 164.5° | 120.0° |
| H23 | C15 | C16 | N4 | 15.7° | 60.0° |
| O7 | C16 | N4 | H24 | 0.0° | 180.0° |
| O7 | C16 | N4 | H25 | 180.0° | 0.0° |
| C16 | N4 | H24 | H25 | 180.0° | 179.9° |
| O8 | C17 | C18 | H26 | 121.9° | 120.1° |
| O8 | C17 | C18 | H27 | 121.9° | 120.0° |
| O8 | C17 | H26 | H27 | 113.7° | 120.0° |
| O8 | C17 | C18 | N5 | 154.0° | 65.0° |
| O8 | C17 | C18 | C19 | 85.1° | 55.0° |
| O8 | C17 | C18 | H30 | 32.1° | 175.0° |
| C18 | C17 | H26 | H27 | 113.7° | 119.9° |
| C17 | C18 | N5 | C19 | 119.3° | 120.0° |
| C17 | C18 | N5 | H30 | 121.6° | 120.1° |
| C17 | C18 | N5 | H28 | 73.4° | 95.0° |
| C18 | C17 | O8 | H29 | 180.0° | 180.0° |
| C17 | C18 | C19 | H30 | 117.6° | 120.0° |
| C17 | C18 | C19 | C20 | 147.5° | 175.0° |
| C17 | C18 | C19 | H31 | 91.8° | 65.0° |
| C17 | C18 | C19 | H32 | 26.8° | 55.0° |
| C17 | C18 | N5 | C13 | 106.6° | 85.0° |
| H26 | C17 | C18 | N5 | 32.1° | 175.0° |
| H26 | C17 | O8 | H29 | 58.1° | 60.0° |
| H26 | C17 | C18 | C19 | 153.0° | 65.1° |
| H26 | C17 | C18 | H30 | 89.8° | 54.9° |
| H27 | C17 | C18 | N5 | 84.0° | 55.0° |
| H27 | C17 | O8 | H29 | 58.1° | 60.0° |
| H27 | C17 | C18 | C19 | 36.8° | 175.0° |
| H27 | C17 | C18 | H30 | 154.1° | 65.0° |
| C18 | N5 | H28 | C13 | 180.0° | 180.0° |
| N5 | C18 | C19 | H30 | 119.8° | 120.0° |
| N5 | C18 | C19 | C20 | 89.9° | 65.0° |
| N5 | C18 | C19 | H31 | 30.8° | 55.0° |
| N5 | C18 | C19 | H32 | 149.4° | 175.0° |
| H28 | N5 | C18 | C19 | 45.9° | 25.0° |
| H28 | N5 | C18 | H30 | 165.0° | 145.0° |
| C18 | C19 | C20 | H31 | 120.7° | 120.0° |
| C18 | C19 | C20 | H32 | 120.7° | 120.0° |
| C18 | C19 | H31 | H32 | 117.9° | 120.0° |
| C18 | C19 | C20 | O10 | 160.4° | 0.0° |
| C18 | C19 | C20 | O9 | 19.4° | 180.0° |
| C19 | C18 | N5 | C13 | 134.1° | 155.0° |
| H30 | C18 | C19 | C20 | 29.9° | 55.0° |
| H30 | C18 | C19 | H31 | 150.5° | 175.0° |
| H30 | C18 | C19 | H32 | 90.8° | 65.0° |
| H30 | C18 | N5 | C13 | 15.0° | 35.0° |
| C20 | C19 | H31 | H32 | 117.8° | 120.0° |
| C19 | C20 | O10 | O9 | 179.8° | 180.0° |
| C19 | C20 | O9 | H33 | 179.8° | 180.0° |
| H31 | C19 | C20 | O10 | 39.7° | 120.0° |
| H31 | C19 | C20 | O9 | 140.1° | 60.0° |
| H32 | C19 | C20 | O10 | 78.9° | 120.0° |
| H32 | C19 | C20 | O9 | 101.3° | 60.0° |
| O10 | C20 | O9 | H33 | 0.0° | 0.0° |
