PRD_000193
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.39Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | C6 | sing | 1.53Å | 1.55Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C6 | sing | 1.53Å | 1.51Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | N2 | sing | 1.47Å | 1.46Å | |
| 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 | 1.48Å | 1.48Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | N4 | sing | 1.47Å | 1.46Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| C10 | O3 | doub | 1.22Å | 1.24Å | |
| N5 | C12 | sing | 1.42Å | 1.36Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| C11 | O4 | doub | 1.22Å | 1.24Å | |
| N6 | C11 | sing | 1.35Å | 1.33Å | |
| N6 | C13 | sing | 1.38Å | 1.33Å | |
| N7 | C11 | sing | 1.35Å | 1.32Å | |
| N7 | H20 | sing | 0.97Å | 1.00Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| C12 | C10 | sing | 1.46Å | 1.52Å | |
| C12 | C13 | doub | 1.35Å | 1.37Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| C14 | N8 | sing | 1.49Å | 1.47Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| N8 | H25 | sing | 0.97Å | 1.00Å | |
| C15 | O5 | doub | 1.21Å | 1.24Å | |
| C16 | C14 | sing | 1.53Å | 1.54Å | |
| C16 | N10 | sing | 1.46Å | 1.47Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.54Å | 1.54Å | |
| C18 | N9 | sing | 1.47Å | 1.47Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| N9 | C19 | sing | 1.37Å | 1.41Å | |
| N9 | H31 | sing | 0.97Å | 1.00Å | |
| C19 | N11 | sing | 1.37Å | 1.32Å | |
| C19 | N10 | doub | 1.29Å | 1.40Å | |
| N11 | H32 | sing | 0.97Å | 1.00Å | |
| N11 | H33 | sing | 0.97Å | 1.00Å | |
| N12 | C20 | sing | 1.47Å | 1.47Å | |
| N12 | H34 | sing | 1.01Å | 1.00Å | |
| N12 | H35 | sing | 1.01Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C22 | sing | 1.55Å | 1.53Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | O6 | doub | 1.21Å | 1.23Å | |
| C22 | N13 | sing | 1.48Å | 1.47Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| N13 | H39 | sing | 0.97Å | 1.00Å | |
| N14 | C23 | sing | 1.48Å | 1.47Å | |
| N14 | H40 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.55Å | |
| C23 | C25 | sing | 1.53Å | 1.51Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | O7 | doub | 1.21Å | 1.22Å | |
| C25 | O8 | sing | 1.43Å | 1.44Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| O8 | H44 | sing | 0.97Å | 0.95Å | |
| C1 | N4 | sing | 1.35Å | 1.31Å | |
| C8 | N5 | sing | 1.37Å | 1.31Å | |
| C10 | N8 | sing | 1.36Å | 1.32Å | |
| C15 | N13 | sing | 1.36Å | 1.33Å | |
| C21 | N14 | sing | 1.36Å | 1.33Å | |
| N3 | C24 | sing | 1.37Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 117.2° | 120.0° |
| O1 | C1 | N4 | 122.6° | 120.0° |
| C1 | C2 | C3 | 121.4° | 109.5° |
| C1 | C2 | H3 | 106.4° | 109.4° |
| C1 | C2 | H4 | 106.4° | 109.5° |
| C2 | C1 | N4 | 120.1° | 120.0° |
| C3 | N1 | H1 | 109.5° | 111.0° |
| C3 | N1 | H2 | 109.5° | 111.0° |
| N1 | C3 | C2 | 111.4° | 109.5° |
| N1 | C3 | C6 | 109.9° | 109.5° |
| N1 | C3 | H5 | 109.4° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C3 | C2 | H3 | 106.4° | 109.5° |
| C3 | C2 | H4 | 106.4° | 109.5° |
| C2 | C3 | C6 | 109.1° | 109.4° |
| C2 | C3 | H5 | 108.6° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| C6 | C3 | H5 | 108.3° | 109.5° |
| C3 | C6 | C4 | 112.5° | 109.4° |
| C3 | C6 | H10 | 108.7° | 109.5° |
| C3 | C6 | H11 | 108.7° | 109.5° |
| C5 | C4 | C6 | 112.2° | 109.4° |
| C5 | C4 | H6 | 108.8° | 109.5° |
| C5 | C4 | H7 | 108.8° | 109.4° |
| C4 | C5 | N2 | 109.3° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C6 | C4 | H6 | 108.8° | 109.5° |
| C6 | C4 | H7 | 108.8° | 109.5° |
| C4 | C6 | H10 | 108.7° | 109.5° |
| C4 | C6 | H11 | 108.7° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| N2 | C5 | H8 | 109.5° | 109.4° |
| N2 | C5 | H9 | 109.5° | 109.5° |
| C5 | N2 | H12 | 109.5° | 111.0° |
| C5 | N2 | H13 | 109.5° | 111.0° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | N2 | H13 | 109.4° | 110.9° |
| C7 | N3 | H14 | 118.2° | 122.9° |
| N3 | C7 | C8 | 110.8° | 107.9° |
| N3 | C7 | C9 | 111.1° | 109.8° |
| N3 | C7 | H15 | 108.5° | 109.8° |
| C7 | N3 | C24 | 123.7° | 114.3° |
| H14 | N3 | C24 | 118.1° | 122.9° |
| C8 | C7 | C9 | 110.6° | 109.8° |
| C8 | C7 | H15 | 107.8° | 109.8° |
| C7 | C8 | O2 | 118.5° | 120.9° |
| C7 | C8 | N5 | 115.8° | 118.1° |
| C9 | C7 | H15 | 107.8° | 109.8° |
| C7 | C9 | N4 | 107.5° | 109.5° |
| C7 | C9 | H16 | 110.0° | 109.5° |
| C7 | C9 | H17 | 110.0° | 109.5° |
| O2 | C8 | N5 | 125.5° | 121.0° |
| N4 | C9 | H16 | 110.0° | 109.4° |
| N4 | C9 | H17 | 110.0° | 109.4° |
| C9 | N4 | H18 | 119.0° | 120.0° |
| C9 | N4 | C1 | 122.0° | 120.0° |
| H16 | C9 | H17 | 109.4° | 109.5° |
| H18 | N4 | C1 | 119.0° | 119.9° |
| O3 | C10 | C12 | 120.7° | 120.4° |
| O3 | C10 | N8 | 124.3° | 120.4° |
| C12 | N5 | H19 | 117.6° | 122.1° |
| N5 | C12 | C10 | 116.4° | 118.4° |
| N5 | C12 | C13 | 124.2° | 120.8° |
| C12 | N5 | C8 | 124.8° | 115.8° |
| H19 | N5 | C8 | 117.6° | 122.1° |
| O4 | C11 | N6 | 121.4° | 120.0° |
| O4 | C11 | N7 | 121.5° | 120.0° |
| C11 | N6 | C13 | 121.7° | 119.9° |
| N6 | C11 | N7 | 117.1° | 120.0° |
| C11 | N6 | H23 | 119.1° | 120.0° |
| N6 | C13 | C12 | 123.7° | 119.9° |
| N6 | C13 | H22 | 118.1° | 120.0° |
| C13 | N6 | H23 | 119.2° | 120.1° |
| C11 | N7 | H20 | 120.0° | 120.0° |
| C11 | N7 | H21 | 120.0° | 120.1° |
| H20 | N7 | H21 | 120.0° | 119.9° |
| C10 | C12 | C13 | 119.3° | 120.8° |
| C12 | C10 | N8 | 114.9° | 119.3° |
| C12 | C13 | H22 | 118.1° | 120.0° |
| N8 | C14 | C15 | 110.9° | 107.8° |
| N8 | C14 | H24 | 111.1° | 109.8° |
| C14 | N8 | H25 | 118.1° | 122.9° |
| N8 | C14 | C16 | 104.0° | 109.8° |
| C14 | N8 | C10 | 123.7° | 114.3° |
| C15 | C14 | H24 | 110.3° | 109.8° |
| C14 | C15 | O5 | 121.1° | 120.5° |
| C15 | C14 | C16 | 110.1° | 109.8° |
| C14 | C15 | N13 | 115.7° | 119.0° |
| H24 | C14 | C16 | 110.2° | 109.8° |
| H25 | N8 | C10 | 118.2° | 122.8° |
| O5 | C15 | N13 | 123.2° | 120.5° |
| C14 | C16 | N10 | 107.3° | 109.2° |
| C14 | C16 | H26 | 109.6° | 109.3° |
| C14 | C16 | C17 | 110.1° | 109.2° |
| N10 | C16 | H26 | 110.5° | 109.3° |
| N10 | C16 | C17 | 109.5° | 110.6° |
| C16 | N10 | C19 | 121.4° | 123.7° |
| H26 | C16 | C17 | 109.8° | 109.2° |
| C16 | C17 | H27 | 109.3° | 109.7° |
| C16 | C17 | H28 | 109.2° | 109.6° |
| C16 | C17 | C18 | 110.4° | 108.4° |
| H27 | C17 | H28 | 109.5° | 109.6° |
| H27 | C17 | C18 | 109.2° | 109.6° |
| H28 | C17 | C18 | 109.3° | 109.8° |
| C17 | C18 | N9 | 109.1° | 107.4° |
| C17 | C18 | H29 | 109.5° | 109.9° |
| C17 | C18 | H30 | 109.5° | 109.8° |
| N9 | C18 | H29 | 109.6° | 109.9° |
| N9 | C18 | H30 | 109.6° | 109.9° |
| C18 | N9 | C19 | 120.8° | 118.7° |
| C18 | N9 | H31 | 119.6° | 120.7° |
| H29 | C18 | H30 | 109.5° | 109.9° |
| C19 | N9 | H31 | 119.6° | 120.6° |
| N9 | C19 | N11 | 119.4° | 118.8° |
| N9 | C19 | N10 | 120.6° | 122.3° |
| N11 | C19 | N10 | 120.0° | 118.8° |
| C19 | N11 | H32 | 120.0° | 120.1° |
| C19 | N11 | H33 | 120.0° | 120.0° |
| H32 | N11 | H33 | 120.0° | 119.9° |
| C20 | N12 | H34 | 109.5° | 111.0° |
| C20 | N12 | H35 | 109.5° | 111.0° |
| N12 | C20 | C21 | 109.1° | 109.4° |
| N12 | C20 | C22 | 109.6° | 109.7° |
| N12 | C20 | H36 | 110.6° | 109.4° |
| H34 | N12 | H35 | 109.5° | 111.0° |
| C21 | C20 | C22 | 108.1° | 109.3° |
| C21 | C20 | H36 | 109.8° | 109.4° |
| C20 | C21 | O6 | 120.4° | 120.6° |
| C20 | C21 | N14 | 115.4° | 118.8° |
| C22 | C20 | H36 | 109.7° | 109.6° |
| C20 | C22 | N13 | 109.6° | 108.5° |
| C20 | C22 | H37 | 109.4° | 109.6° |
| C20 | C22 | H38 | 109.4° | 109.6° |
| O6 | C21 | N14 | 124.1° | 120.6° |
| N13 | C22 | H37 | 109.5° | 109.4° |
| N13 | C22 | H38 | 109.4° | 109.9° |
| C22 | N13 | H39 | 119.0° | 121.8° |
| C22 | N13 | C15 | 122.0° | 116.5° |
| H37 | C22 | H38 | 109.4° | 109.7° |
| H39 | N13 | C15 | 119.0° | 121.7° |
| C23 | N14 | H40 | 119.4° | 121.9° |
| N14 | C23 | C24 | 110.7° | 108.9° |
| N14 | C23 | C25 | 109.9° | 109.6° |
| N14 | C23 | H41 | 109.4° | 109.6° |
| C23 | N14 | C21 | 121.3° | 116.1° |
| H40 | N14 | C21 | 119.3° | 122.0° |
| C24 | C23 | C25 | 109.5° | 109.5° |
| C24 | C23 | H41 | 108.4° | 109.6° |
| C23 | C24 | O7 | 121.8° | 120.7° |
| C23 | C24 | N3 | 112.4° | 118.6° |
| C25 | C23 | H41 | 108.9° | 109.7° |
| C23 | C25 | O8 | 109.5° | 109.5° |
| C23 | C25 | H42 | 109.5° | 109.5° |
| C23 | C25 | H43 | 109.5° | 109.5° |
| O7 | C24 | N3 | 125.8° | 120.7° |
| O8 | C25 | H42 | 109.5° | 109.5° |
| O8 | C25 | H43 | 109.5° | 109.5° |
| C25 | O8 | H44 | 109.5° | 114.0° |
| H42 | C25 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N4 | 179.2° | 179.8° |
| O1 | C1 | C2 | C3 | 13.7° | 0.1° |
| O1 | C1 | C2 | H3 | 135.3° | 120.1° |
| O1 | C1 | C2 | H4 | 108.0° | 119.9° |
| O1 | C1 | N4 | C9 | 1.2° | 0.0° |
| O1 | C1 | N4 | H18 | 178.8° | 180.0° |
| C1 | C2 | C3 | N1 | 37.5° | 65.0° |
| C1 | C2 | C3 | H3 | 121.7° | 120.0° |
| C1 | C2 | C3 | H4 | 121.7° | 120.0° |
| C1 | C2 | H3 | H4 | 114.6° | 120.0° |
| C1 | C2 | C3 | C6 | 159.1° | 175.0° |
| C1 | C2 | C3 | H5 | 83.1° | 55.0° |
| C2 | C1 | N4 | C9 | 179.7° | 179.8° |
| C2 | C1 | N4 | H18 | 0.3° | 0.2° |
| C3 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C3 | C2 | C6 | 121.5° | 120.0° |
| N1 | C3 | C2 | H5 | 120.6° | 120.0° |
| N1 | C3 | C2 | H3 | 84.1° | 55.0° |
| N1 | C3 | C2 | H4 | 159.2° | 175.0° |
| N1 | C3 | C6 | H5 | 119.5° | 120.0° |
| N1 | C3 | C6 | C4 | 71.9° | 65.0° |
| N1 | C3 | C6 | H10 | 167.6° | 55.0° |
| N1 | C3 | C6 | H11 | 48.5° | 175.0° |
| H1 | N1 | C3 | C2 | 180.0° | 60.0° |
| H1 | N1 | C3 | C6 | 58.9° | 60.0° |
| H1 | N1 | C3 | H5 | 59.9° | 180.0° |
| H2 | N1 | C3 | C2 | 60.0° | 176.1° |
| H2 | N1 | C3 | C6 | 178.9° | 64.0° |
| H2 | N1 | C3 | H5 | 60.1° | 56.0° |
| C3 | C2 | H3 | H4 | 114.6° | 120.0° |
| C2 | C3 | C6 | H5 | 118.1° | 120.0° |
| C2 | C3 | C6 | C4 | 50.5° | 175.0° |
| C2 | C3 | C6 | H10 | 69.9° | 65.0° |
| C2 | C3 | C6 | H11 | 171.0° | 55.0° |
| C3 | C2 | C1 | N4 | 167.1° | 179.7° |
| H3 | C2 | C3 | C6 | 37.4° | 65.0° |
| H3 | C2 | C3 | H5 | 155.2° | 175.0° |
| H3 | C2 | C1 | N4 | 45.5° | 59.7° |
| H4 | C2 | C3 | C6 | 79.3° | 55.0° |
| H4 | C2 | C3 | H5 | 38.6° | 65.0° |
| H4 | C2 | C1 | N4 | 71.2° | 60.3° |
| C3 | C6 | C4 | C5 | 69.1° | 180.0° |
| C3 | C6 | C4 | H10 | 120.4° | 120.0° |
| C3 | C6 | C4 | H11 | 120.5° | 120.0° |
| C3 | C6 | C4 | H6 | 170.4° | 60.0° |
| C3 | C6 | C4 | H7 | 51.3° | 60.1° |
| C3 | C6 | H10 | H11 | 118.6° | 120.0° |
| H5 | C3 | C6 | C4 | 168.6° | 55.0° |
| H5 | C3 | C6 | H10 | 48.1° | 175.0° |
| H5 | C3 | C6 | H11 | 70.9° | 65.0° |
| C5 | C4 | C6 | H6 | 120.4° | 120.0° |
| C5 | C4 | C6 | H7 | 120.4° | 119.9° |
| C5 | C4 | H6 | H7 | 118.8° | 119.9° |
| C4 | C5 | N2 | H8 | 120.0° | 120.0° |
| C4 | C5 | N2 | H9 | 120.0° | 120.0° |
| C4 | C5 | H8 | H9 | 120.0° | 120.0° |
| C5 | C4 | C6 | H10 | 170.4° | 60.0° |
| C5 | C4 | C6 | H11 | 51.3° | 60.0° |
| C4 | C5 | N2 | H12 | 180.0° | 180.0° |
| C4 | C5 | N2 | H13 | 60.0° | 56.1° |
| C6 | C4 | H6 | H7 | 118.7° | 120.1° |
| C6 | C4 | C5 | N2 | 63.8° | 180.0° |
| C6 | C4 | C5 | H8 | 56.2° | 60.0° |
| C6 | C4 | C5 | H9 | 176.2° | 60.0° |
| C4 | C6 | H10 | H11 | 118.6° | 120.0° |
| H6 | C4 | C5 | N2 | 56.6° | 60.0° |
| H6 | C4 | C5 | H8 | 176.6° | 60.0° |
| H6 | C4 | C5 | H9 | 63.4° | 180.0° |
| H6 | C4 | C6 | H10 | 50.0° | 60.0° |
| H6 | C4 | C6 | H11 | 69.1° | 180.0° |
| H7 | C4 | C5 | N2 | 175.8° | 60.0° |
| H7 | C4 | C5 | H8 | 64.2° | 180.0° |
| H7 | C4 | C5 | H9 | 55.8° | 60.0° |
| H7 | C4 | C6 | H10 | 69.2° | 180.0° |
| H7 | C4 | C6 | H11 | 171.7° | 60.0° |
| N2 | C5 | H8 | H9 | 120.1° | 120.0° |
| C5 | N2 | H12 | H13 | 120.0° | 124.0° |
| H8 | C5 | N2 | H12 | 60.1° | 60.0° |
| H8 | C5 | N2 | H13 | 180.0° | 176.1° |
| H9 | C5 | N2 | H12 | 60.0° | 59.9° |
| H9 | C5 | N2 | H13 | 60.0° | 64.0° |
| C7 | N3 | H14 | C24 | 180.0° | 179.8° |
| N3 | C7 | C8 | C9 | 123.7° | 119.6° |
| N3 | C7 | C8 | H15 | 118.6° | 119.6° |
| N3 | C7 | C9 | H15 | 118.8° | 120.8° |
| N3 | C7 | C8 | O2 | 137.7° | 123.6° |
| N3 | C7 | C9 | N4 | 146.1° | 56.1° |
| N3 | C7 | C9 | H16 | 26.4° | 63.9° |
| N3 | C7 | C9 | H17 | 94.2° | 176.0° |
| C7 | N3 | C24 | C23 | 179.0° | 179.3° |
| C7 | N3 | C24 | O7 | 1.1° | 0.7° |
| N3 | C7 | C8 | N5 | 46.9° | 56.4° |
| H14 | N3 | C7 | C8 | 107.0° | 111.6° |
| H14 | N3 | C7 | C9 | 129.6° | 128.8° |
| H14 | N3 | C7 | H15 | 11.2° | 8.0° |
| H14 | N3 | C24 | C23 | 1.0° | 0.9° |
| H14 | N3 | C24 | O7 | 178.9° | 179.1° |
| C8 | C7 | C9 | H15 | 117.7° | 120.8° |
| C7 | C8 | O2 | N5 | 174.8° | 180.0° |
| C8 | C7 | C9 | N4 | 90.4° | 174.5° |
| C8 | C7 | C9 | H16 | 149.9° | 54.5° |
| C8 | C7 | C9 | H17 | 29.4° | 65.6° |
| C7 | C8 | N5 | C12 | 177.8° | 173.5° |
| C7 | C8 | N5 | H19 | 2.3° | 6.6° |
| C8 | C7 | N3 | C24 | 73.0° | 68.6° |
| C9 | C7 | C8 | O2 | 98.6° | 116.9° |
| C7 | C9 | N4 | H16 | 119.7° | 120.0° |
| C7 | C9 | N4 | H17 | 119.7° | 119.9° |
| C7 | C9 | H16 | H17 | 120.9° | 120.1° |
| C7 | C9 | N4 | H18 | 122.4° | 0.0° |
| C7 | C9 | N4 | C1 | 57.6° | 180.0° |
| C9 | C7 | C8 | N5 | 76.7° | 63.1° |
| C9 | C7 | N3 | C24 | 50.4° | 51.0° |
| H15 | C7 | C8 | O2 | 19.1° | 4.0° |
| H15 | C7 | C9 | N4 | 27.3° | 64.7° |
| H15 | C7 | C9 | H16 | 92.4° | 175.3° |
| H15 | C7 | C9 | H17 | 147.0° | 55.2° |
| H15 | C7 | C8 | N5 | 165.6° | 176.0° |
| H15 | C7 | N3 | C24 | 168.8° | 171.8° |
| O2 | C8 | N5 | C12 | 7.3° | 6.5° |
| O2 | C8 | N5 | H19 | 172.7° | 173.4° |
| N4 | C9 | H16 | H17 | 120.9° | 120.0° |
| C9 | N4 | H18 | C1 | 180.0° | 180.0° |
| H16 | C9 | N4 | H18 | 117.9° | 120.0° |
| H16 | C9 | N4 | C1 | 62.1° | 60.0° |
| H17 | C9 | N4 | H18 | 2.7° | 120.0° |
| H17 | C9 | N4 | C1 | 177.3° | 60.0° |
| O3 | C10 | C12 | N5 | 178.2° | 2.7° |
| O3 | C10 | C12 | N8 | 178.7° | 180.0° |
| O3 | C10 | C12 | C13 | 2.1° | 177.4° |
| O3 | C10 | N8 | C14 | 3.8° | 2.8° |
| O3 | C10 | N8 | H25 | 176.2° | 177.3° |
| C12 | N5 | H19 | C8 | 180.0° | 180.0° |
| N5 | C12 | C13 | N6 | 0.1° | 46.2° |
| N5 | C12 | C10 | C13 | 176.2° | 180.0° |
| N5 | C12 | C13 | H22 | 180.0° | 133.8° |
| N5 | C12 | C10 | N8 | 3.1° | 177.4° |
| H19 | N5 | C12 | C10 | 5.8° | 5.1° |
| H19 | N5 | C12 | C13 | 178.2° | 174.9° |
| O4 | C11 | N6 | N7 | 179.3° | 180.0° |
| O4 | C11 | N6 | C13 | 0.8° | 0.0° |
| O4 | C11 | N7 | H20 | 0.0° | 0.0° |
| O4 | C11 | N7 | H21 | 180.0° | 180.0° |
| O4 | C11 | N6 | H23 | 179.2° | 180.0° |
| C11 | N6 | C13 | H23 | 180.0° | 179.9° |
| N6 | C11 | N7 | H20 | 179.3° | 180.0° |
| N6 | C11 | N7 | H21 | 0.7° | 0.0° |
| C11 | N6 | C13 | C12 | 179.6° | 173.3° |
| C11 | N6 | C13 | H22 | 0.3° | 6.7° |
| C13 | N6 | C11 | N7 | 179.9° | 180.0° |
| N6 | C13 | C12 | C10 | 175.9° | 133.8° |
| N6 | C13 | C12 | H22 | 180.0° | 180.0° |
| C11 | N7 | H20 | H21 | 180.0° | 179.9° |
| N7 | C11 | N6 | H23 | 0.1° | 0.0° |
| C10 | C12 | C13 | H22 | 4.1° | 46.2° |
| C12 | C10 | N8 | C14 | 177.6° | 177.3° |
| C12 | C10 | N8 | H25 | 2.4° | 2.6° |
| C10 | C12 | N5 | C8 | 174.2° | 174.9° |
| C12 | C13 | N6 | H23 | 0.4° | 6.7° |
| C13 | C12 | N5 | C8 | 1.8° | 5.1° |
| C13 | C12 | C10 | N8 | 179.2° | 2.6° |
| H22 | C13 | N6 | H23 | 179.7° | 173.3° |
| N8 | C14 | C15 | H24 | 123.6° | 119.6° |
| N8 | C14 | C15 | C16 | 114.6° | 119.5° |
| N8 | C14 | H24 | C16 | 114.7° | 120.8° |
| C14 | N8 | H25 | C10 | 180.0° | 179.9° |
| N8 | C14 | C15 | O5 | 133.5° | 106.7° |
| N8 | C14 | C16 | N10 | 40.5° | 58.1° |
| N8 | C14 | C16 | H26 | 160.5° | 61.3° |
| N8 | C14 | C16 | C17 | 78.6° | 179.2° |
| N8 | C14 | C15 | N13 | 47.9° | 73.4° |
| C15 | C14 | H24 | C16 | 121.8° | 120.8° |
| C15 | C14 | N8 | H25 | 57.1° | 127.9° |
| C14 | C15 | O5 | N13 | 178.5° | 179.9° |
| C15 | C14 | C16 | N10 | 78.4° | 176.5° |
| C15 | C14 | C16 | H26 | 41.6° | 57.0° |
| C15 | C14 | C16 | C17 | 162.5° | 62.4° |
| C14 | C15 | N13 | C22 | 179.6° | 177.5° |
| C14 | C15 | N13 | H39 | 0.3° | 2.5° |
| C15 | C14 | N8 | C10 | 122.9° | 52.1° |
| H24 | C14 | N8 | H25 | 179.7° | 8.2° |
| H24 | C14 | C15 | O5 | 102.9° | 12.9° |
| H24 | C14 | C16 | N10 | 159.7° | 62.7° |
| H24 | C14 | C16 | H26 | 80.3° | 177.8° |
| H24 | C14 | C16 | C17 | 40.6° | 58.4° |
| H24 | C14 | N8 | C10 | 0.3° | 171.7° |
| H24 | C14 | C15 | N13 | 75.7° | 167.0° |
| H25 | N8 | C14 | C16 | 61.2° | 112.6° |
| O5 | C15 | C14 | C16 | 18.9° | 133.8° |
| O5 | C15 | N13 | C22 | 1.0° | 2.6° |
| O5 | C15 | N13 | H39 | 179.0° | 177.4° |
| C14 | C16 | N10 | H26 | 119.4° | 119.5° |
| C14 | C16 | N10 | C17 | 119.5° | 120.2° |
| C14 | C16 | H26 | C17 | 121.1° | 119.4° |
| C14 | C16 | C17 | H27 | 66.0° | 70.7° |
| C14 | C16 | C17 | H28 | 53.7° | 49.8° |
| C14 | C16 | C17 | C18 | 173.8° | 169.7° |
| C14 | C16 | N10 | C19 | 146.9° | 141.1° |
| C16 | C14 | N8 | C10 | 118.8° | 67.5° |
| C16 | C14 | C15 | N13 | 162.5° | 46.2° |
| N10 | C16 | H26 | C17 | 120.9° | 121.1° |
| N10 | C16 | C17 | H27 | 176.2° | 169.1° |
| N10 | C16 | C17 | H28 | 64.0° | 70.5° |
| N10 | C16 | C17 | C18 | 56.1° | 49.4° |
| C16 | N10 | C19 | N9 | 0.7° | 1.0° |
| C16 | N10 | C19 | N11 | 178.3° | 179.0° |
| H26 | C16 | C17 | H27 | 54.7° | 48.8° |
| H26 | C16 | C17 | H28 | 174.5° | 169.2° |
| H26 | C16 | C17 | C18 | 65.4° | 70.9° |
| H26 | C16 | N10 | C19 | 93.6° | 99.5° |
| C16 | C17 | H27 | H28 | 119.6° | 120.4° |
| C16 | C17 | H27 | C18 | 120.8° | 118.9° |
| C16 | C17 | H28 | C18 | 120.8° | 119.0° |
| C16 | C17 | C18 | N9 | 57.2° | 59.4° |
| C16 | C17 | C18 | H29 | 62.8° | 60.1° |
| C16 | C17 | C18 | H30 | 177.1° | 178.9° |
| C17 | C16 | N10 | C19 | 27.4° | 20.8° |
| H27 | C17 | H28 | C18 | 119.6° | 120.5° |
| H27 | C17 | C18 | N9 | 177.3° | 179.1° |
| H27 | C17 | C18 | H29 | 57.4° | 59.6° |
| H27 | C17 | C18 | H30 | 62.7° | 61.4° |
| H28 | C17 | C18 | N9 | 63.0° | 60.3° |
| H28 | C17 | C18 | H29 | 177.1° | 179.8° |
| H28 | C17 | C18 | H30 | 57.0° | 59.1° |
| C17 | C18 | N9 | H29 | 119.9° | 119.5° |
| C17 | C18 | N9 | H30 | 119.9° | 119.4° |
| C17 | C18 | H29 | H30 | 120.1° | 121.0° |
| C17 | C18 | N9 | C19 | 29.5° | 42.3° |
| C17 | C18 | N9 | H31 | 150.5° | 137.7° |
| N9 | C18 | H29 | H30 | 120.2° | 121.1° |
| C18 | N9 | C19 | H31 | 180.0° | 180.0° |
| C18 | N9 | C19 | N11 | 179.6° | 167.1° |
| C18 | N9 | C19 | N10 | 0.6° | 12.9° |
| H29 | C18 | N9 | C19 | 90.5° | 77.2° |
| H29 | C18 | N9 | H31 | 89.5° | 102.8° |
| H30 | C18 | N9 | C19 | 149.4° | 161.8° |
| H30 | C18 | N9 | H31 | 30.6° | 18.2° |
| N9 | C19 | N11 | N10 | 179.0° | 180.0° |
| N9 | C19 | N11 | H32 | 179.0° | 0.0° |
| N9 | C19 | N11 | H33 | 1.0° | 180.0° |
| H31 | N9 | C19 | N11 | 0.4° | 12.9° |
| H31 | N9 | C19 | N10 | 179.4° | 167.1° |
| C19 | N11 | H32 | H33 | 180.0° | 179.9° |
| N10 | C19 | N11 | H32 | 0.0° | 180.0° |
| N10 | C19 | N11 | H33 | 180.0° | 0.0° |
| C20 | N12 | H34 | H35 | 120.0° | 123.9° |
| N12 | C20 | C21 | C22 | 119.1° | 120.2° |
| N12 | C20 | C21 | H36 | 121.3° | 119.7° |
| N12 | C20 | C22 | H36 | 121.6° | 120.1° |
| N12 | C20 | C21 | O6 | 71.2° | 123.7° |
| N12 | C20 | C22 | N13 | 178.6° | 163.1° |
| N12 | C20 | C22 | H37 | 61.4° | 43.7° |
| N12 | C20 | C22 | H38 | 58.6° | 76.8° |
| N12 | C20 | C21 | N14 | 110.4° | 55.9° |
| H34 | N12 | C20 | C21 | 180.0° | 60.0° |
| H34 | N12 | C20 | C22 | 61.8° | 179.9° |
| H34 | N12 | C20 | H36 | 59.3° | 59.8° |
| H35 | N12 | C20 | C21 | 60.0° | 64.0° |
| H35 | N12 | C20 | C22 | 178.2° | 56.0° |
| H35 | N12 | C20 | H36 | 60.8° | 176.3° |
| C21 | C20 | C22 | H36 | 119.6° | 119.9° |
| C20 | C21 | O6 | N14 | 178.3° | 179.6° |
| C21 | C20 | C22 | N13 | 59.8° | 76.9° |
| C21 | C20 | C22 | H37 | 179.9° | 163.7° |
| C21 | C20 | C22 | H38 | 60.2° | 43.2° |
| C20 | C21 | N14 | C23 | 178.9° | 179.1° |
| C20 | C21 | N14 | H40 | 1.1° | 1.0° |
| C22 | C20 | C21 | O6 | 48.0° | 3.6° |
| C20 | C22 | N13 | H37 | 120.0° | 119.5° |
| C20 | C22 | N13 | H38 | 120.0° | 119.9° |
| C20 | C22 | H37 | H38 | 119.9° | 120.4° |
| C20 | C22 | N13 | H39 | 117.7° | 13.9° |
| C20 | C22 | N13 | C15 | 62.3° | 166.1° |
| C22 | C20 | C21 | N14 | 130.5° | 176.0° |
| H36 | C20 | C21 | O6 | 167.6° | 116.5° |
| H36 | C20 | C22 | N13 | 59.8° | 43.0° |
| H36 | C20 | C22 | H37 | 60.2° | 76.4° |
| H36 | C20 | C22 | H38 | 179.9° | 163.1° |
| H36 | C20 | C21 | N14 | 10.9° | 63.9° |
| O6 | C21 | N14 | C23 | 2.7° | 0.5° |
| O6 | C21 | N14 | H40 | 177.3° | 179.4° |
| N13 | C22 | H37 | H38 | 119.9° | 120.7° |
| C22 | N13 | H39 | C15 | 180.0° | 180.0° |
| H37 | C22 | N13 | H39 | 122.3° | 105.6° |
| H37 | C22 | N13 | C15 | 57.7° | 74.4° |
| H38 | C22 | N13 | H39 | 2.3° | 133.8° |
| H38 | C22 | N13 | C15 | 177.6° | 46.2° |
| C23 | N14 | H40 | C21 | 180.0° | 180.0° |
| N14 | C23 | C24 | C25 | 121.4° | 119.8° |
| N14 | C23 | C24 | H41 | 120.0° | 119.9° |
| N14 | C23 | C25 | H41 | 119.8° | 120.3° |
| N14 | C23 | C24 | O7 | 22.5° | 11.7° |
| N14 | C23 | C25 | O8 | 60.6° | 65.0° |
| N14 | C23 | C25 | H42 | 179.4° | 55.0° |
| N14 | C23 | C25 | H43 | 59.4° | 175.0° |
| N14 | C23 | C24 | N3 | 157.4° | 168.3° |
| H40 | N14 | C23 | C24 | 75.2° | 107.5° |
| H40 | N14 | C23 | C25 | 45.8° | 12.3° |
| H40 | N14 | C23 | H41 | 165.3° | 132.7° |
| C24 | C23 | C25 | H41 | 118.4° | 120.3° |
| C23 | C24 | O7 | N3 | 179.9° | 180.0° |
| C24 | C23 | C25 | O8 | 61.2° | 175.6° |
| C24 | C23 | C25 | H42 | 58.8° | 64.4° |
| C24 | C23 | C25 | H43 | 178.8° | 55.6° |
| C24 | C23 | N14 | C21 | 104.8° | 72.5° |
| C25 | C23 | C24 | O7 | 98.9° | 108.1° |
| C23 | C25 | O8 | H42 | 120.0° | 120.0° |
| C23 | C25 | O8 | H43 | 120.0° | 120.0° |
| C23 | C25 | H42 | H43 | 120.0° | 120.0° |
| C23 | C25 | O8 | H44 | 180.0° | 180.0° |
| C25 | C23 | N14 | C21 | 134.2° | 167.7° |
| C25 | C23 | C24 | N3 | 81.2° | 71.9° |
| H41 | C23 | C24 | O7 | 142.5° | 131.5° |
| H41 | C23 | C25 | O8 | 179.6° | 55.3° |
| H41 | C23 | C25 | H42 | 59.6° | 175.3° |
| H41 | C23 | C25 | H43 | 60.4° | 64.7° |
| H41 | C23 | N14 | C21 | 14.7° | 47.3° |
| H41 | C23 | C24 | N3 | 37.4° | 48.4° |
| O8 | C25 | H42 | H43 | 120.0° | 120.0° |
| H42 | C25 | O8 | H44 | 60.0° | 60.0° |
| H43 | C25 | O8 | H44 | 60.0° | 60.0° |
