PRD_000226
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | C6 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | N2 | sing | 1.47Å | 1.47Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 1.01Å | 1.00Å | |
| N2 | H13 | sing | 1.01Å | 1.00Å | |
| N3 | C7 | sing | 1.46Å | 1.47Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | H15 | sing | 1.10Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.24Å | |
| C9 | N4 | sing | 1.48Å | 1.45Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| N5 | C10 | sing | 1.48Å | 1.48Å | |
| N5 | H19 | sing | 0.98Å | 1.00Å | |
| C10 | C11 | sing | 1.50Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H20 | sing | 1.10Å | 1.10Å | |
| C11 | O3 | doub | 1.22Å | 1.23Å | |
| C12 | O4 | sing | 1.43Å | 1.43Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| O4 | H23 | sing | 0.97Å | 0.95Å | |
| N6 | C13 | sing | 1.48Å | 1.47Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.52Å | 1.49Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | O5 | doub | 1.21Å | 1.28Å | |
| C15 | O6 | sing | 1.43Å | 1.43Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| O6 | H28 | sing | 0.97Å | 0.95Å | |
| C16 | O7 | doub | 1.22Å | 1.23Å | |
| N7 | C18 | sing | 1.42Å | 1.30Å | |
| N7 | H29 | sing | 0.99Å | 1.00Å | |
| C17 | O8 | doub | 1.22Å | 1.24Å | |
| N8 | C17 | sing | 1.35Å | 1.29Å | |
| N8 | C19 | sing | 1.38Å | 1.32Å | |
| N9 | C17 | sing | 1.35Å | 1.35Å | |
| N9 | H30 | sing | 0.97Å | 1.00Å | |
| N9 | H31 | sing | 0.97Å | 1.00Å | |
| C18 | C16 | sing | 1.47Å | 1.51Å | |
| C18 | C19 | doub | 1.34Å | 1.44Å | |
| C19 | H32 | sing | 1.08Å | 1.08Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| N10 | C21 | sing | 1.48Å | 1.46Å | |
| N10 | H34 | sing | 0.97Å | 1.00Å | |
| O9 | C20 | doub | 1.21Å | 1.26Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | C24 | sing | 1.54Å | 1.53Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| N11 | C22 | sing | 1.47Å | 1.47Å | |
| N11 | C23 | sing | 1.37Å | 1.40Å | |
| N11 | H37 | sing | 0.97Å | 1.00Å | |
| C23 | N13 | doub | 1.29Å | 1.40Å | |
| N12 | C23 | sing | 1.37Å | 1.33Å | |
| N12 | H38 | sing | 0.97Å | 1.00Å | |
| N12 | H39 | sing | 0.97Å | 1.00Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| N13 | C25 | sing | 1.46Å | 1.47Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | O10 | sing | 1.43Å | 1.43Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| O10 | H43 | sing | 0.97Å | 0.95Å | |
| C1 | N3 | sing | 1.35Å | 1.33Å | |
| C8 | N5 | sing | 1.37Å | 1.32Å | |
| C16 | N10 | sing | 1.36Å | 1.36Å | |
| C11 | N6 | sing | 1.36Å | 1.34Å | |
| N4 | C20 | sing | 1.37Å | 1.34Å | |
| C14 | N7 | sing | 1.36Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.7° | 120.1° |
| O1 | C1 | N3 | 124.8° | 119.9° |
| C1 | C2 | C3 | 113.6° | 109.5° |
| C1 | C2 | H3 | 108.4° | 109.5° |
| C1 | C2 | H4 | 108.4° | 109.5° |
| C2 | C1 | N3 | 113.4° | 120.0° |
| C3 | N1 | H1 | 109.5° | 111.0° |
| C3 | N1 | H2 | 109.5° | 110.9° |
| N1 | C3 | C2 | 110.0° | 109.5° |
| N1 | C3 | C6 | 109.9° | 109.5° |
| N1 | C3 | H5 | 109.3° | 109.4° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C3 | C2 | H3 | 108.4° | 109.5° |
| C3 | C2 | H4 | 108.4° | 109.4° |
| C2 | C3 | C6 | 110.6° | 109.5° |
| C2 | C3 | H5 | 108.5° | 109.4° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| C6 | C3 | H5 | 108.5° | 109.5° |
| C3 | C6 | C4 | 111.1° | 109.5° |
| C3 | C6 | H10 | 109.1° | 109.4° |
| C3 | C6 | H11 | 109.1° | 109.5° |
| C5 | C4 | C6 | 111.3° | 109.4° |
| C5 | C4 | H6 | 109.0° | 109.4° |
| C5 | C4 | H7 | 109.0° | 109.5° |
| C4 | C5 | N2 | 110.0° | 109.5° |
| C4 | C5 | H8 | 109.3° | 109.5° |
| C4 | C5 | H9 | 109.3° | 109.4° |
| C6 | C4 | H6 | 109.0° | 109.5° |
| C6 | C4 | H7 | 109.0° | 109.5° |
| C4 | C6 | H10 | 109.1° | 109.5° |
| C4 | C6 | H11 | 109.0° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| N2 | C5 | H8 | 109.3° | 109.5° |
| N2 | C5 | H9 | 109.3° | 109.5° |
| C5 | N2 | H12 | 109.5° | 111.0° |
| C5 | N2 | H13 | 109.4° | 111.0° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | N2 | H13 | 109.5° | 111.0° |
| C7 | N3 | H14 | 118.2° | 120.0° |
| N3 | C7 | C8 | 110.3° | 109.7° |
| N3 | C7 | C9 | 107.7° | 110.5° |
| N3 | C7 | H15 | 110.4° | 108.9° |
| C7 | N3 | C1 | 123.6° | 120.0° |
| H14 | N3 | C1 | 118.2° | 120.0° |
| C8 | C7 | C9 | 109.0° | 110.1° |
| C8 | C7 | H15 | 109.7° | 108.6° |
| C7 | C8 | O2 | 121.1° | 120.2° |
| C7 | C8 | N5 | 115.7° | 117.5° |
| C9 | C7 | H15 | 109.6° | 109.0° |
| C7 | C9 | N4 | 111.3° | 109.8° |
| C7 | C9 | H16 | 109.0° | 109.4° |
| C7 | C9 | H17 | 109.0° | 109.6° |
| O2 | C8 | N5 | 123.1° | 122.3° |
| N4 | C9 | H16 | 109.0° | 109.7° |
| N4 | C9 | H17 | 109.0° | 109.4° |
| C9 | N4 | H18 | 118.8° | 123.4° |
| C9 | N4 | C20 | 122.5° | 114.9° |
| H16 | C9 | H17 | 109.5° | 109.0° |
| H18 | N4 | C20 | 118.8° | 121.7° |
| C10 | N5 | H19 | 118.9° | 121.6° |
| N5 | C10 | C11 | 108.6° | 109.7° |
| N5 | C10 | C12 | 110.6° | 110.1° |
| N5 | C10 | H20 | 110.5° | 108.8° |
| C10 | N5 | C8 | 122.2° | 117.1° |
| H19 | N5 | C8 | 118.9° | 121.2° |
| C11 | C10 | C12 | 107.7° | 110.9° |
| C11 | C10 | H20 | 109.8° | 108.7° |
| C10 | C11 | O3 | 120.6° | 119.8° |
| C10 | C11 | N6 | 115.4° | 120.3° |
| C12 | C10 | H20 | 109.6° | 108.7° |
| C10 | C12 | O4 | 109.5° | 109.5° |
| C10 | C12 | H21 | 109.5° | 109.5° |
| C10 | C12 | H22 | 109.5° | 109.5° |
| O3 | C11 | N6 | 124.0° | 119.9° |
| O4 | C12 | H21 | 109.4° | 109.5° |
| O4 | C12 | H22 | 109.4° | 109.4° |
| C12 | O4 | H23 | 109.5° | 114.0° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| C13 | N6 | H24 | 120.0° | 120.6° |
| N6 | C13 | C14 | 109.0° | 108.0° |
| N6 | C13 | C15 | 108.0° | 109.7° |
| N6 | C13 | H25 | 111.0° | 110.1° |
| C13 | N6 | C11 | 120.0° | 116.6° |
| H24 | N6 | C11 | 120.0° | 122.8° |
| C14 | C13 | C15 | 108.2° | 109.2° |
| C14 | C13 | H25 | 110.7° | 109.5° |
| C13 | C14 | O5 | 119.3° | 118.8° |
| C13 | C14 | N7 | 117.0° | 116.7° |
| C15 | C13 | H25 | 109.9° | 110.2° |
| C13 | C15 | O6 | 109.1° | 109.4° |
| C13 | C15 | H26 | 109.6° | 109.5° |
| C13 | C15 | H27 | 109.6° | 109.5° |
| O5 | C14 | N7 | 123.6° | 124.5° |
| O6 | C15 | H26 | 109.6° | 109.5° |
| O6 | C15 | H27 | 109.5° | 109.5° |
| C15 | O6 | H28 | 109.5° | 114.0° |
| H26 | C15 | H27 | 109.5° | 109.5° |
| O7 | C16 | C18 | 123.3° | 118.6° |
| O7 | C16 | N10 | 124.1° | 119.9° |
| C18 | N7 | H29 | 115.6° | 119.2° |
| N7 | C18 | C16 | 119.4° | 115.7° |
| N7 | C18 | C19 | 122.8° | 124.1° |
| C18 | N7 | C14 | 128.8° | 121.2° |
| H29 | N7 | C14 | 115.6° | 119.6° |
| O8 | C17 | N8 | 126.5° | 120.0° |
| O8 | C17 | N9 | 111.9° | 120.0° |
| C17 | N8 | C19 | 118.7° | 120.0° |
| N8 | C17 | N9 | 121.6° | 120.0° |
| C17 | N8 | H33 | 120.6° | 120.0° |
| N8 | C19 | C18 | 119.8° | 120.0° |
| N8 | C19 | H32 | 120.1° | 120.0° |
| C19 | N8 | H33 | 120.7° | 120.0° |
| C17 | N9 | H30 | 120.0° | 120.0° |
| C17 | N9 | H31 | 120.0° | 120.0° |
| H30 | N9 | H31 | 120.0° | 120.0° |
| C16 | C18 | C19 | 117.7° | 120.2° |
| C18 | C16 | N10 | 112.6° | 121.5° |
| C18 | C19 | H32 | 120.1° | 120.0° |
| C20 | C21 | N10 | 110.3° | 108.0° |
| C21 | C20 | O9 | 120.2° | 120.9° |
| C20 | C21 | C22 | 110.2° | 109.7° |
| C20 | C21 | H35 | 108.1° | 109.8° |
| C21 | C20 | N4 | 117.3° | 117.9° |
| C21 | N10 | H34 | 119.3° | 121.4° |
| N10 | C21 | C22 | 111.9° | 109.5° |
| N10 | C21 | H35 | 108.6° | 109.7° |
| C21 | N10 | C16 | 121.5° | 115.4° |
| H34 | N10 | C16 | 119.2° | 123.2° |
| O9 | C20 | N4 | 122.5° | 121.2° |
| C22 | C21 | H35 | 107.6° | 110.0° |
| C21 | C22 | C24 | 113.2° | 109.9° |
| C21 | C22 | H36 | 107.7° | 109.9° |
| C21 | C22 | N11 | 109.7° | 109.9° |
| C24 | C22 | H36 | 107.8° | 109.9° |
| C24 | C22 | N11 | 109.7° | 107.3° |
| C22 | C24 | H40 | 109.3° | 109.7° |
| C22 | C24 | H41 | 109.3° | 109.6° |
| C22 | C24 | C25 | 110.0° | 108.5° |
| H36 | C22 | N11 | 108.5° | 109.9° |
| C22 | N11 | C23 | 120.7° | 118.7° |
| C22 | N11 | H37 | 119.7° | 120.6° |
| C23 | N11 | H37 | 119.6° | 120.7° |
| N11 | C23 | N13 | 120.8° | 122.3° |
| N11 | C23 | N12 | 119.5° | 118.8° |
| N13 | C23 | N12 | 119.7° | 118.9° |
| C23 | N13 | C25 | 121.3° | 123.8° |
| C23 | N12 | H38 | 120.0° | 120.0° |
| C23 | N12 | H39 | 120.0° | 120.0° |
| H38 | N12 | H39 | 120.0° | 120.0° |
| H40 | C24 | H41 | 109.5° | 109.6° |
| H40 | C24 | C25 | 109.3° | 109.6° |
| H41 | C24 | C25 | 109.3° | 109.8° |
| N13 | C25 | C24 | 109.4° | 110.6° |
| N13 | C25 | O10 | 109.1° | 109.3° |
| N13 | C25 | H42 | 109.6° | 109.2° |
| C24 | C25 | O10 | 109.7° | 109.3° |
| C24 | C25 | H42 | 108.8° | 109.3° |
| O10 | C25 | H42 | 110.2° | 109.2° |
| C25 | O10 | H43 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N3 | 179.4° | 179.8° |
| O1 | C1 | C2 | C3 | 11.6° | 0.0° |
| O1 | C1 | C2 | H3 | 109.0° | 120.0° |
| O1 | C1 | C2 | H4 | 132.2° | 120.0° |
| O1 | C1 | N3 | C7 | 0.7° | 0.0° |
| O1 | C1 | N3 | H14 | 179.3° | 180.0° |
| C1 | C2 | C3 | N1 | 58.5° | 65.0° |
| C1 | C2 | C3 | H3 | 120.6° | 120.0° |
| C1 | C2 | C3 | H4 | 120.6° | 120.0° |
| C1 | C2 | H3 | H4 | 118.1° | 120.0° |
| C1 | C2 | C3 | C6 | 63.1° | 175.0° |
| C1 | C2 | C3 | H5 | 178.0° | 55.0° |
| C2 | C1 | N3 | C7 | 179.9° | 179.7° |
| C2 | C1 | N3 | H14 | 0.0° | 0.3° |
| C3 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C3 | C2 | C6 | 121.6° | 120.1° |
| N1 | C3 | C2 | H5 | 119.5° | 119.9° |
| N1 | C3 | C2 | H3 | 179.1° | 55.1° |
| N1 | C3 | C2 | H4 | 62.1° | 175.0° |
| N1 | C3 | C6 | H5 | 119.5° | 120.0° |
| N1 | C3 | C6 | C4 | 65.7° | 65.0° |
| N1 | C3 | C6 | H10 | 54.6° | 55.0° |
| N1 | C3 | C6 | H11 | 174.1° | 175.0° |
| H1 | N1 | C3 | C2 | 180.0° | 63.9° |
| H1 | N1 | C3 | C6 | 58.0° | 176.1° |
| H1 | N1 | C3 | H5 | 61.0° | 56.1° |
| H2 | N1 | C3 | C2 | 60.0° | 60.0° |
| H2 | N1 | C3 | C6 | 178.0° | 60.0° |
| H2 | N1 | C3 | H5 | 59.1° | 180.0° |
| C3 | C2 | H3 | H4 | 118.1° | 119.9° |
| C2 | C3 | C6 | H5 | 118.9° | 120.0° |
| C2 | C3 | C6 | C4 | 172.7° | 175.0° |
| C2 | C3 | C6 | H10 | 67.1° | 65.0° |
| C2 | C3 | C6 | H11 | 52.5° | 55.0° |
| C3 | C2 | C1 | N3 | 169.1° | 179.7° |
| H3 | C2 | C3 | C6 | 57.5° | 65.0° |
| H3 | C2 | C3 | H5 | 61.4° | 175.0° |
| H3 | C2 | C1 | N3 | 70.3° | 59.7° |
| H4 | C2 | C3 | C6 | 176.3° | 55.0° |
| H4 | C2 | C3 | H5 | 57.4° | 65.0° |
| H4 | C2 | C1 | N3 | 48.4° | 60.3° |
| C3 | C6 | C4 | C5 | 176.6° | 180.0° |
| C3 | C6 | C4 | H10 | 120.2° | 120.0° |
| C3 | C6 | C4 | H11 | 120.2° | 120.0° |
| C3 | C6 | C4 | H6 | 63.2° | 60.0° |
| C3 | C6 | C4 | H7 | 56.3° | 60.0° |
| C3 | C6 | H10 | H11 | 119.3° | 120.0° |
| H5 | C3 | C6 | C4 | 53.8° | 55.0° |
| H5 | C3 | C6 | H10 | 174.0° | 175.0° |
| H5 | C3 | C6 | H11 | 66.4° | 65.0° |
| C5 | C4 | C6 | H6 | 120.3° | 120.0° |
| C5 | C4 | C6 | H7 | 120.3° | 120.0° |
| C5 | C4 | H6 | H7 | 119.1° | 120.0° |
| C4 | C5 | N2 | H8 | 120.1° | 120.0° |
| C4 | C5 | N2 | H9 | 120.1° | 120.0° |
| C4 | C5 | H8 | H9 | 119.8° | 120.0° |
| C5 | C4 | C6 | H10 | 63.2° | 60.0° |
| C5 | C4 | C6 | H11 | 56.3° | 60.0° |
| C4 | C5 | N2 | H12 | 180.0° | 56.0° |
| C4 | C5 | N2 | H13 | 60.0° | 180.0° |
| C6 | C4 | H6 | H7 | 119.2° | 120.1° |
| C6 | C4 | C5 | N2 | 177.5° | 180.0° |
| C6 | C4 | C5 | H8 | 62.5° | 60.0° |
| C6 | C4 | C5 | H9 | 57.4° | 60.0° |
| C4 | C6 | H10 | H11 | 119.2° | 120.0° |
| H6 | C4 | C5 | N2 | 62.2° | 60.0° |
| H6 | C4 | C5 | H8 | 57.8° | 60.0° |
| H6 | C4 | C5 | H9 | 177.7° | 180.0° |
| H6 | C4 | C6 | H10 | 57.1° | 59.9° |
| H6 | C4 | C6 | H11 | 176.6° | 179.9° |
| H7 | C4 | C5 | N2 | 57.2° | 60.0° |
| H7 | C4 | C5 | H8 | 177.3° | NaN° |
| H7 | C4 | C5 | H9 | 62.9° | 60.0° |
| H7 | C4 | C6 | H10 | 176.5° | NaN° |
| H7 | C4 | C6 | H11 | 64.0° | 60.0° |
| N2 | C5 | H8 | H9 | 119.7° | 120.0° |
| C5 | N2 | H12 | H13 | 120.0° | 124.0° |
| H8 | C5 | N2 | H12 | 59.9° | 63.9° |
| H8 | C5 | N2 | H13 | 179.9° | 60.0° |
| H9 | C5 | N2 | H12 | 59.9° | 176.0° |
| H9 | C5 | N2 | H13 | 60.1° | 60.0° |
| C7 | N3 | H14 | C1 | 180.0° | 180.0° |
| N3 | C7 | C8 | C9 | 118.1° | 121.8° |
| N3 | C7 | C8 | H15 | 121.9° | 118.9° |
| N3 | C7 | C9 | H15 | 120.2° | 119.6° |
| N3 | C7 | C8 | O2 | 61.8° | 93.8° |
| N3 | C7 | C9 | N4 | 177.2° | 46.8° |
| N3 | C7 | C9 | H16 | 62.5° | 167.2° |
| N3 | C7 | C9 | H17 | 56.9° | 73.4° |
| N3 | C7 | C8 | N5 | 116.5° | 85.7° |
| H14 | N3 | C7 | C8 | 46.0° | 95.0° |
| H14 | N3 | C7 | C9 | 72.9° | 26.6° |
| H14 | N3 | C7 | H15 | 167.5° | 146.3° |
| C8 | C7 | C9 | H15 | 120.1° | 119.0° |
| C7 | C8 | O2 | N5 | 178.1° | 179.5° |
| C8 | C7 | C9 | N4 | 57.5° | 74.6° |
| C8 | C7 | C9 | H16 | 177.8° | 45.8° |
| C8 | C7 | C9 | H17 | 62.8° | 165.2° |
| C7 | C8 | N5 | C10 | 178.8° | 173.4° |
| C7 | C8 | N5 | H19 | 1.3° | 6.5° |
| C8 | C7 | N3 | C1 | 134.1° | 85.0° |
| C9 | C7 | C8 | O2 | 56.3° | 28.0° |
| C7 | C9 | N4 | H16 | 120.3° | 120.2° |
| C7 | C9 | N4 | H17 | 120.3° | 120.2° |
| C7 | C9 | H16 | H17 | 119.1° | 119.8° |
| C7 | C9 | N4 | H18 | 98.9° | 31.4° |
| C9 | C7 | N3 | C1 | 107.0° | 153.4° |
| C9 | C7 | C8 | N5 | 125.4° | 152.4° |
| C7 | C9 | N4 | C20 | 81.1° | 149.3° |
| H15 | C7 | C8 | O2 | 176.3° | 147.3° |
| H15 | C7 | C9 | N4 | 62.6° | 166.3° |
| H15 | C7 | C9 | H16 | 57.7° | 73.3° |
| H15 | C7 | C9 | H17 | 177.1° | 46.2° |
| H15 | C7 | N3 | C1 | 12.6° | 33.7° |
| H15 | C7 | C8 | N5 | 5.4° | 33.1° |
| O2 | C8 | N5 | C10 | 3.0° | 7.0° |
| O2 | C8 | N5 | H19 | 177.0° | 173.0° |
| N4 | C9 | H16 | H17 | 119.2° | 119.7° |
| C9 | N4 | H18 | C20 | 180.0° | 179.3° |
| C9 | N4 | C20 | C21 | 178.2° | 177.7° |
| C9 | N4 | C20 | O9 | 0.4° | 2.2° |
| H16 | C9 | N4 | H18 | 140.8° | 151.6° |
| H16 | C9 | N4 | C20 | 39.2° | 29.1° |
| H17 | C9 | N4 | H18 | 21.4° | 88.8° |
| H17 | C9 | N4 | C20 | 158.6° | 90.5° |
| H18 | N4 | C20 | C21 | 1.8° | 3.0° |
| H18 | N4 | C20 | O9 | 179.6° | 177.2° |
| C10 | N5 | H19 | C8 | 180.0° | 179.9° |
| N5 | C10 | C11 | C12 | 119.8° | 121.8° |
| N5 | C10 | C11 | H20 | 120.9° | 118.8° |
| N5 | C10 | C12 | H20 | 122.0° | 119.0° |
| N5 | C10 | C11 | O3 | 4.9° | 19.7° |
| N5 | C10 | C12 | O4 | 69.2° | 65.0° |
| N5 | C10 | C12 | H21 | 170.8° | 175.0° |
| N5 | C10 | C12 | H22 | 50.8° | 55.0° |
| N5 | C10 | C11 | N6 | 177.1° | 161.4° |
| H19 | N5 | C10 | C11 | 79.1° | 123.6° |
| H19 | N5 | C10 | C12 | 38.8° | 114.2° |
| H19 | N5 | C10 | H20 | 160.4° | 4.8° |
| C11 | C10 | C12 | H20 | 119.5° | 119.4° |
| C10 | C11 | O3 | N6 | 177.8° | 178.9° |
| C11 | C10 | C12 | O4 | 49.3° | 56.6° |
| C11 | C10 | C12 | H21 | 70.7° | 63.4° |
| C11 | C10 | C12 | H22 | 169.3° | 176.6° |
| C10 | C11 | N6 | C13 | 178.7° | 176.0° |
| C10 | C11 | N6 | H24 | 1.3° | 4.7° |
| C11 | C10 | N5 | C8 | 100.9° | 56.5° |
| C12 | C10 | C11 | O3 | 114.8° | 141.5° |
| C10 | C12 | O4 | H21 | 120.0° | 120.1° |
| C10 | C12 | O4 | H22 | 120.0° | 120.0° |
| C10 | C12 | H21 | H22 | 120.0° | 120.0° |
| C10 | C12 | O4 | H23 | 180.0° | 180.0° |
| C12 | C10 | N5 | C8 | 141.2° | 65.7° |
| C12 | C10 | C11 | N6 | 63.1° | 39.6° |
| H20 | C10 | C11 | O3 | 125.8° | 99.1° |
| H20 | C10 | C12 | O4 | 168.7° | 176.0° |
| H20 | C10 | C12 | H21 | 48.8° | 56.0° |
| H20 | C10 | C12 | H22 | 71.3° | 64.0° |
| H20 | C10 | N5 | C8 | 19.6° | 175.2° |
| H20 | C10 | C11 | N6 | 56.2° | 79.8° |
| O3 | C11 | N6 | C13 | 3.4° | 5.1° |
| O3 | C11 | N6 | H24 | 176.5° | 174.2° |
| O4 | C12 | H21 | H22 | 120.0° | 119.9° |
| H21 | C12 | O4 | H23 | 60.0° | 60.0° |
| H22 | C12 | O4 | H23 | 59.9° | 60.0° |
| C13 | N6 | H24 | C11 | 180.0° | 179.2° |
| N6 | C13 | C14 | C15 | 117.2° | 119.3° |
| N6 | C13 | C14 | H25 | 122.3° | 120.0° |
| N6 | C13 | C15 | H25 | 121.2° | 121.4° |
| N6 | C13 | C14 | O5 | 113.6° | 109.8° |
| N6 | C13 | C15 | O6 | 173.7° | 65.0° |
| N6 | C13 | C15 | H26 | 66.3° | 175.0° |
| N6 | C13 | C15 | H27 | 53.8° | 55.0° |
| N6 | C13 | C14 | N7 | 67.6° | 70.8° |
| H24 | N6 | C13 | C14 | 117.5° | 95.0° |
| H24 | N6 | C13 | C15 | 125.2° | 24.0° |
| H24 | N6 | C13 | H25 | 4.7° | 145.4° |
| C14 | C13 | C15 | H25 | 121.0° | 120.4° |
| C13 | C14 | O5 | N7 | 178.7° | 179.3° |
| C14 | C13 | C15 | O6 | 55.9° | 53.2° |
| C14 | C13 | C15 | H26 | 175.9° | 66.8° |
| C14 | C13 | C15 | H27 | 64.0° | 173.2° |
| C13 | C14 | N7 | C18 | 179.9° | 169.9° |
| C13 | C14 | N7 | H29 | 0.1° | 10.6° |
| C14 | C13 | N6 | C11 | 62.5° | 85.7° |
| C15 | C13 | C14 | O5 | 129.2° | 9.5° |
| C13 | C15 | O6 | H26 | 120.0° | 120.0° |
| C13 | C15 | O6 | H27 | 119.9° | 120.0° |
| C13 | C15 | H26 | H27 | 120.2° | 120.0° |
| C13 | C15 | O6 | H28 | 180.0° | 179.9° |
| C15 | C13 | N6 | C11 | 54.8° | 155.3° |
| C15 | C13 | C14 | N7 | 49.5° | 169.9° |
| H25 | C13 | C14 | O5 | 8.7° | 130.2° |
| H25 | C13 | C15 | O6 | 65.1° | 173.6° |
| H25 | C13 | C15 | H26 | 54.9° | 53.6° |
| H25 | C13 | C15 | H27 | 175.0° | 66.4° |
| H25 | C13 | N6 | C11 | 175.3° | 33.9° |
| H25 | C13 | C14 | N7 | 170.0° | 49.2° |
| O5 | C14 | N7 | C18 | 1.4° | 10.7° |
| O5 | C14 | N7 | H29 | 178.6° | 168.8° |
| O6 | C15 | H26 | H27 | 120.1° | 120.0° |
| H26 | C15 | O6 | H28 | 60.1° | 60.1° |
| H27 | C15 | O6 | H28 | 60.0° | 59.9° |
| O7 | C16 | C18 | N7 | 175.4° | 9.7° |
| O7 | C16 | C18 | N10 | 178.6° | 177.3° |
| O7 | C16 | C18 | C19 | 4.6° | 170.5° |
| O7 | C16 | N10 | C21 | 1.3° | 13.7° |
| O7 | C16 | N10 | H34 | 178.7° | 166.1° |
| C18 | N7 | H29 | C14 | 180.0° | 179.5° |
| N7 | C18 | C19 | N8 | 0.1° | 35.7° |
| N7 | C18 | C16 | C19 | 180.0° | 179.9° |
| N7 | C18 | C19 | H32 | 179.9° | 144.3° |
| N7 | C18 | C16 | N10 | 3.2° | 167.7° |
| H29 | N7 | C18 | C16 | 0.1° | 4.5° |
| H29 | N7 | C18 | C19 | 179.9° | 175.6° |
| O8 | C17 | N8 | N9 | 178.4° | 180.0° |
| O8 | C17 | N8 | C19 | 1.6° | 0.0° |
| O8 | C17 | N9 | H30 | 0.0° | 0.0° |
| O8 | C17 | N9 | H31 | 180.0° | 180.0° |
| O8 | C17 | N8 | H33 | 178.4° | 180.0° |
| C17 | N8 | C19 | H33 | 180.0° | 180.0° |
| N8 | C17 | N9 | H30 | 178.6° | 180.0° |
| N8 | C17 | N9 | H31 | 1.4° | 0.0° |
| C17 | N8 | C19 | C18 | 179.8° | 173.1° |
| C17 | N8 | C19 | H32 | 0.2° | 6.9° |
| C19 | N8 | C17 | N9 | 180.0° | 180.0° |
| N8 | C19 | C18 | C16 | 180.0° | 144.2° |
| N8 | C19 | C18 | H32 | 180.0° | 180.0° |
| C17 | N9 | H30 | H31 | 180.0° | 180.0° |
| N9 | C17 | N8 | H33 | 0.0° | 0.0° |
| C16 | C18 | C19 | H32 | 0.0° | 35.8° |
| C18 | C16 | N10 | C21 | 179.9° | 163.6° |
| C18 | C16 | N10 | H34 | 0.1° | 16.6° |
| C16 | C18 | N7 | C14 | 179.9° | 176.0° |
| C18 | C19 | N8 | H33 | 0.2° | 7.0° |
| C19 | C18 | C16 | N10 | 176.8° | 12.2° |
| C19 | C18 | N7 | C14 | 0.0° | 3.9° |
| H32 | C19 | N8 | H33 | 179.9° | 173.0° |
| C20 | C21 | N10 | C22 | 123.1° | 119.4° |
| C20 | C21 | N10 | H35 | 118.3° | 119.7° |
| C20 | C21 | N10 | H34 | 68.2° | 115.6° |
| C21 | C20 | O9 | N4 | 177.7° | 179.9° |
| C20 | C21 | C22 | H35 | 117.6° | 120.9° |
| C20 | C21 | C22 | C24 | 171.3° | 64.4° |
| C20 | C21 | C22 | H36 | 52.2° | 56.7° |
| C20 | C21 | C22 | N11 | 65.8° | 177.8° |
| C20 | C21 | N10 | C16 | 111.8° | 64.6° |
| C21 | N10 | H34 | C16 | 180.0° | 179.7° |
| N10 | C21 | C20 | O9 | 146.2° | 84.2° |
| N10 | C21 | C22 | H35 | 119.2° | 120.7° |
| N10 | C21 | C22 | C24 | 65.5° | 177.2° |
| N10 | C21 | C22 | H36 | 175.3° | 61.7° |
| N10 | C21 | C22 | N11 | 57.4° | 59.4° |
| N10 | C21 | C20 | N4 | 36.0° | 95.7° |
| H34 | N10 | C21 | C22 | 54.9° | 3.8° |
| H34 | N10 | C21 | H35 | 173.5° | 124.6° |
| O9 | C20 | C21 | C22 | 22.1° | 35.1° |
| O9 | C20 | C21 | H35 | 95.2° | 156.1° |
| C21 | C22 | C24 | H36 | 119.1° | 121.0° |
| C21 | C22 | C24 | N11 | 122.9° | 119.4° |
| C21 | C22 | H36 | N11 | 118.7° | 121.1° |
| C21 | C22 | N11 | C23 | 95.8° | 77.1° |
| C21 | C22 | N11 | H37 | 84.2° | 102.8° |
| C21 | C22 | C24 | H40 | 173.7° | 179.8° |
| C21 | C22 | C24 | H41 | 53.9° | 59.9° |
| C21 | C22 | C24 | C25 | 66.2° | 60.0° |
| C22 | C21 | N10 | C16 | 125.1° | 176.0° |
| C22 | C21 | C20 | N4 | 160.1° | 145.0° |
| H35 | C21 | C22 | C24 | 53.7° | 56.5° |
| H35 | C21 | C22 | H36 | 65.5° | 177.6° |
| H35 | C21 | C22 | N11 | 176.6° | 61.4° |
| H35 | C21 | N10 | C16 | 6.5° | 55.1° |
| H35 | C21 | C20 | N4 | 82.6° | 24.0° |
| C24 | C22 | H36 | N11 | 118.8° | 117.9° |
| C24 | C22 | N11 | C23 | 29.2° | 42.3° |
| C24 | C22 | N11 | H37 | 150.8° | 137.8° |
| C22 | C24 | H40 | H41 | 119.7° | 120.4° |
| C22 | C24 | H40 | C25 | 120.5° | 119.0° |
| C22 | C24 | H41 | C25 | 120.5° | 119.1° |
| C22 | C24 | C25 | N13 | 56.0° | 49.4° |
| C22 | C24 | C25 | O10 | 175.6° | 169.7° |
| C22 | C24 | C25 | H42 | 63.7° | 70.9° |
| H36 | C22 | N11 | C23 | 146.8° | 161.8° |
| H36 | C22 | N11 | H37 | 33.2° | 18.3° |
| H36 | C22 | C24 | H40 | 54.7° | 59.2° |
| H36 | C22 | C24 | H41 | 65.2° | 61.1° |
| H36 | C22 | C24 | C25 | 174.8° | 178.9° |
| C22 | N11 | C23 | H37 | 180.0° | 179.9° |
| C22 | N11 | C23 | N13 | 0.6° | 13.0° |
| C22 | N11 | C23 | N12 | 178.1° | 167.1° |
| N11 | C22 | C24 | H40 | 63.4° | 60.3° |
| N11 | C22 | C24 | H41 | 176.8° | 179.3° |
| N11 | C22 | C24 | C25 | 56.7° | 59.4° |
| N11 | C23 | N13 | N12 | 178.6° | 180.0° |
| N11 | C23 | N12 | H38 | 178.7° | 0.0° |
| N11 | C23 | N12 | H39 | 1.4° | 180.0° |
| N11 | C23 | N13 | C25 | 0.1° | 1.0° |
| H37 | N11 | C23 | N13 | 179.4° | 167.1° |
| H37 | N11 | C23 | N12 | 1.9° | 12.8° |
| N13 | C23 | N12 | H38 | 0.0° | 180.0° |
| N13 | C23 | N12 | H39 | 180.0° | 0.0° |
| C23 | N13 | C25 | C24 | 28.2° | 20.8° |
| C23 | N13 | C25 | O10 | 148.2° | 141.1° |
| C23 | N13 | C25 | H42 | 91.1° | 99.5° |
| C23 | N12 | H38 | H39 | 180.0° | 180.0° |
| N12 | C23 | N13 | C25 | 178.5° | 179.0° |
| H40 | C24 | H41 | C25 | 119.8° | 120.5° |
| H40 | C24 | C25 | N13 | 64.0° | 70.3° |
| H40 | C24 | C25 | O10 | 55.6° | 50.0° |
| H40 | C24 | C25 | H42 | 176.2° | 169.4° |
| H41 | C24 | C25 | N13 | 176.1° | 169.2° |
| H41 | C24 | C25 | O10 | 64.3° | 70.5° |
| H41 | C24 | C25 | H42 | 56.4° | 49.0° |
| N13 | C25 | C24 | O10 | 119.6° | 120.3° |
| N13 | C25 | C24 | H42 | 119.8° | 120.3° |
| N13 | C25 | O10 | H42 | 120.4° | 119.4° |
| N13 | C25 | O10 | H43 | 180.0° | 60.0° |
| C24 | C25 | O10 | H42 | 119.8° | 119.5° |
| C24 | C25 | O10 | H43 | 60.2° | 178.9° |
| H42 | C25 | O10 | H43 | 59.6° | 59.5° |
