PRD_001048
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 | 1.49Å | |
| 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 | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.47Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | C10 | sing | 1.53Å | 1.51Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.25Å | |
| C11 | O5 | sing | 1.34Å | 1.24Å | |
| O5 | H17 | sing | 0.97Å | 0.95Å | |
| N3 | C12 | sing | 1.47Å | 1.48Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.56Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | O6 | doub | 1.21Å | 1.24Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C16 | sing | 1.53Å | 1.49Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | C17 | sing | 1.47Å | 1.48Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | O7 | doub | 1.21Å | 1.23Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| N5 | C20 | sing | 1.46Å | 1.45Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | O8 | doub | 1.21Å | 1.25Å | |
| C21 | H34 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.51Å | 1.48Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | O9 | doub | 1.21Å | 1.25Å | |
| C23 | O10 | sing | 1.34Å | 1.25Å | |
| O10 | H37 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.34Å | |
| C13 | N4 | sing | 1.35Å | 1.33Å | |
| C18 | N5 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.5° | 120.0° |
| O1 | C1 | N1 | 121.7° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 116.8° | 120.1° |
| H1 | C2 | H2 | 109.4° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 119.1° | 120.1° |
| N1 | C3 | C4 | 112.6° | 109.5° |
| N1 | C3 | C5 | 111.5° | 109.5° |
| N1 | C3 | H5 | 108.2° | 109.5° |
| C3 | N1 | C1 | 121.8° | 120.0° |
| H4 | N1 | C1 | 119.1° | 119.9° |
| C4 | C3 | C5 | 109.9° | 109.5° |
| C4 | C3 | H5 | 107.2° | 109.4° |
| C3 | C4 | O2 | 121.3° | 120.0° |
| C3 | C4 | N2 | 116.4° | 120.0° |
| C5 | C3 | H5 | 107.1° | 109.5° |
| C3 | C5 | C6 | 110.2° | 109.5° |
| C3 | C5 | C7 | 110.5° | 109.5° |
| C3 | C5 | H6 | 108.5° | 109.5° |
| O2 | C4 | N2 | 122.3° | 120.0° |
| C6 | C5 | C7 | 110.3° | 109.5° |
| C6 | C5 | H6 | 108.6° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.4° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C7 | C5 | H6 | 108.7° | 109.4° |
| C5 | C7 | H10 | 109.5° | 109.5° |
| C5 | C7 | H11 | 109.4° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H9 | 109.4° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H12 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.4° |
| C8 | N2 | H13 | 120.3° | 120.0° |
| N2 | C8 | C9 | 108.3° | 109.5° |
| N2 | C8 | C10 | 110.9° | 109.5° |
| N2 | C8 | H14 | 108.7° | 109.5° |
| C8 | N2 | C4 | 119.5° | 120.0° |
| H13 | N2 | C4 | 120.3° | 120.0° |
| C9 | C8 | C10 | 112.7° | 109.4° |
| C9 | C8 | H14 | 108.2° | 109.5° |
| C8 | C9 | O3 | 119.3° | 120.0° |
| C8 | C9 | N3 | 116.3° | 120.0° |
| C10 | C8 | H14 | 108.0° | 109.5° |
| C8 | C10 | C11 | 111.7° | 109.5° |
| C8 | C10 | H15 | 108.9° | 109.5° |
| C8 | C10 | H16 | 108.9° | 109.5° |
| O3 | C9 | N3 | 124.3° | 120.0° |
| C11 | C10 | H15 | 108.9° | 109.5° |
| C11 | C10 | H16 | 108.9° | 109.5° |
| C10 | C11 | O4 | 119.3° | 120.0° |
| C10 | C11 | O5 | 118.9° | 120.0° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| O4 | C11 | O5 | 121.8° | 120.0° |
| C11 | O5 | H17 | 109.5° | 117.0° |
| C12 | N3 | H18 | 119.5° | 120.0° |
| N3 | C12 | C13 | 110.6° | 109.4° |
| N3 | C12 | C14 | 112.3° | 109.4° |
| N3 | C12 | H19 | 109.4° | 109.5° |
| C12 | N3 | C9 | 121.0° | 120.0° |
| H18 | N3 | C9 | 119.5° | 120.0° |
| C13 | C12 | C14 | 107.6° | 109.5° |
| C13 | C12 | H19 | 108.5° | 109.5° |
| C12 | C13 | O6 | 119.8° | 120.0° |
| C12 | C13 | N4 | 117.5° | 120.0° |
| C14 | C12 | H19 | 108.3° | 109.5° |
| C12 | C14 | C15 | 111.2° | 109.5° |
| C12 | C14 | C16 | 110.7° | 109.5° |
| C12 | C14 | H20 | 107.9° | 109.4° |
| O6 | C13 | N4 | 122.7° | 120.0° |
| C15 | C14 | C16 | 109.9° | 109.5° |
| C15 | C14 | H20 | 108.1° | 109.5° |
| C14 | C15 | H21 | 109.5° | 109.5° |
| C14 | C15 | H22 | 109.5° | 109.5° |
| C14 | C15 | H23 | 109.5° | 109.5° |
| C16 | C14 | H20 | 108.8° | 109.5° |
| C14 | C16 | H24 | 109.5° | 109.5° |
| C14 | C16 | H25 | 109.4° | 109.5° |
| C14 | C16 | H26 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.4° | 109.4° |
| H21 | C15 | H23 | 109.4° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H26 | 109.5° | 109.4° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| C17 | N4 | H27 | 118.9° | 120.0° |
| N4 | C17 | C18 | 112.7° | 109.4° |
| N4 | C17 | C19 | 110.5° | 109.5° |
| N4 | C17 | H28 | 108.2° | 109.5° |
| C17 | N4 | C13 | 122.2° | 120.0° |
| H27 | N4 | C13 | 118.9° | 120.0° |
| C18 | C17 | C19 | 109.6° | 109.5° |
| C18 | C17 | H28 | 107.8° | 109.5° |
| C17 | C18 | O7 | 120.4° | 120.0° |
| C17 | C18 | N5 | 116.6° | 120.0° |
| C19 | C17 | H28 | 107.9° | 109.5° |
| C17 | C19 | H29 | 109.5° | 109.5° |
| C17 | C19 | H30 | 109.5° | 109.4° |
| C17 | C19 | H31 | 109.4° | 109.5° |
| O7 | C18 | N5 | 123.0° | 119.9° |
| H29 | C19 | H30 | 109.4° | 109.5° |
| H29 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| C20 | N5 | H32 | 118.8° | 120.0° |
| N5 | C20 | C21 | 111.9° | 109.5° |
| N5 | C20 | C22 | 110.1° | 109.5° |
| N5 | C20 | H33 | 109.6° | 109.5° |
| C20 | N5 | C18 | 122.5° | 120.0° |
| H32 | N5 | C18 | 118.8° | 120.0° |
| C21 | C20 | C22 | 108.2° | 109.4° |
| C21 | C20 | H33 | 108.5° | 109.4° |
| C20 | C21 | O8 | 121.2° | 120.0° |
| C20 | C21 | H34 | 119.4° | 120.0° |
| C22 | C20 | H33 | 108.6° | 109.5° |
| C20 | C22 | C23 | 112.8° | 109.5° |
| C20 | C22 | H35 | 108.6° | 109.5° |
| C20 | C22 | H36 | 108.6° | 109.6° |
| O8 | C21 | H34 | 119.4° | 120.0° |
| C23 | C22 | H35 | 108.6° | 109.4° |
| C23 | C22 | H36 | 108.6° | 109.5° |
| C22 | C23 | O9 | 117.1° | 120.0° |
| C22 | C23 | O10 | 117.8° | 120.0° |
| H35 | C22 | H36 | 109.5° | 109.4° |
| O9 | C23 | O10 | 125.1° | 120.0° |
| C23 | O10 | H37 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.6° | 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 | 2.2° | 0.0° |
| O1 | C1 | N1 | H4 | 177.8° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | H1 | H3 | 120.0° | 120.1° |
| C1 | C2 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | N1 | C3 | 176.4° | 179.8° |
| C2 | C1 | N1 | H4 | 3.6° | 0.2° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 178.6° | 89.7° |
| H2 | C2 | C1 | N1 | 58.6° | 30.2° |
| H3 | C2 | C1 | N1 | 61.4° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 125.0° | 120.0° |
| N1 | C3 | C4 | H5 | 118.9° | 120.0° |
| N1 | C3 | C5 | H5 | 118.2° | 120.0° |
| N1 | C3 | C4 | O2 | 25.4° | 13.0° |
| N1 | C3 | C5 | C6 | 70.1° | 66.8° |
| N1 | C3 | C5 | C7 | 52.0° | 53.2° |
| N1 | C3 | C5 | H6 | 171.1° | 173.2° |
| N1 | C3 | C4 | N2 | 156.1° | 167.0° |
| H4 | N1 | C3 | C4 | 66.4° | 25.0° |
| H4 | N1 | C3 | C5 | 57.7° | 95.0° |
| H4 | N1 | C3 | H5 | 175.3° | 145.0° |
| C4 | C3 | C5 | H5 | 116.1° | 120.0° |
| C3 | C4 | O2 | N2 | 178.4° | 180.0° |
| C4 | C3 | C5 | C6 | 164.2° | 173.2° |
| C4 | C3 | C5 | C7 | 73.6° | 66.8° |
| C4 | C3 | C5 | H6 | 45.4° | 53.2° |
| C3 | C4 | N2 | C8 | 176.7° | 176.9° |
| C3 | C4 | N2 | H13 | 3.3° | 3.2° |
| C4 | C3 | N1 | C1 | 113.6° | 155.0° |
| C5 | C3 | C4 | O2 | 99.6° | 107.0° |
| C3 | C5 | C6 | C7 | 122.3° | 120.0° |
| C3 | C5 | C6 | H6 | 118.8° | 120.0° |
| C3 | C5 | C7 | H6 | 119.0° | 120.0° |
| C3 | C5 | C6 | H7 | 180.0° | 61.3° |
| C3 | C5 | C6 | H8 | 60.0° | 178.7° |
| C3 | C5 | C6 | H9 | 60.0° | 58.6° |
| C3 | C5 | C7 | H10 | 180.0° | 60.0° |
| C3 | C5 | C7 | H11 | 60.0° | 180.0° |
| C3 | C5 | C7 | H12 | 60.0° | 60.1° |
| C5 | C3 | N1 | C1 | 122.3° | 85.0° |
| C5 | C3 | C4 | N2 | 78.8° | 72.9° |
| H5 | C3 | C4 | O2 | 144.3° | 133.0° |
| H5 | C3 | C5 | C6 | 48.1° | 53.2° |
| H5 | C3 | C5 | C7 | 170.3° | 173.2° |
| H5 | C3 | C5 | H6 | 70.7° | 66.8° |
| H5 | C3 | N1 | C1 | 4.7° | 35.0° |
| H5 | C3 | C4 | N2 | 37.2° | 47.1° |
| O2 | C4 | N2 | C8 | 4.8° | 3.2° |
| O2 | C4 | N2 | H13 | 175.2° | 176.8° |
| C6 | C5 | C7 | H6 | 119.0° | 120.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C6 | C5 | C7 | H10 | 57.9° | 180.0° |
| C6 | C5 | C7 | H11 | 62.1° | 60.0° |
| C6 | C5 | C7 | H12 | 177.9° | 60.0° |
| C7 | C5 | C6 | H7 | 57.7° | 58.7° |
| C7 | C5 | C6 | H8 | 177.7° | 61.3° |
| C7 | C5 | C6 | H9 | 62.3° | 178.6° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H12 | 120.0° | 120.0° |
| C5 | C7 | H11 | H12 | 120.0° | 120.0° |
| H6 | C5 | C6 | H7 | 61.3° | 178.6° |
| H6 | C5 | C6 | H8 | 58.8° | 58.7° |
| H6 | C5 | C6 | H9 | 178.8° | 61.4° |
| H6 | C5 | C7 | H10 | 61.0° | 60.0° |
| H6 | C5 | C7 | H11 | 178.9° | 60.0° |
| H6 | C5 | C7 | H12 | 59.0° | 180.0° |
| H7 | C6 | H8 | H9 | 119.9° | 120.0° |
| H10 | C7 | H11 | H12 | 120.0° | 120.0° |
| C8 | N2 | H13 | C4 | 180.0° | 179.9° |
| N2 | C8 | C9 | C10 | 123.0° | 120.0° |
| N2 | C8 | C9 | H14 | 117.7° | 120.0° |
| N2 | C8 | C10 | H14 | 119.0° | 120.0° |
| N2 | C8 | C9 | O3 | 45.4° | 0.1° |
| N2 | C8 | C10 | C11 | 67.6° | 65.3° |
| N2 | C8 | C10 | H15 | 52.7° | 54.7° |
| N2 | C8 | C10 | H16 | 172.0° | 174.7° |
| N2 | C8 | C9 | N3 | 129.8° | 180.0° |
| H13 | N2 | C8 | C9 | 88.5° | 42.7° |
| H13 | N2 | C8 | C10 | 35.6° | 77.2° |
| H13 | N2 | C8 | H14 | 154.2° | 162.8° |
| C9 | C8 | C10 | H14 | 119.4° | 120.0° |
| C8 | C9 | O3 | N3 | 174.8° | 179.9° |
| C9 | C8 | C10 | C11 | 170.8° | 174.7° |
| C9 | C8 | C10 | H15 | 68.9° | 65.3° |
| C9 | C8 | C10 | H16 | 50.5° | 54.7° |
| C8 | C9 | N3 | C12 | 176.4° | 180.0° |
| C8 | C9 | N3 | H18 | 3.6° | 0.1° |
| C9 | C8 | N2 | C4 | 91.6° | 137.2° |
| C10 | C8 | C9 | O3 | 77.6° | 120.1° |
| C8 | C10 | C11 | H15 | 120.3° | 120.0° |
| C8 | C10 | C11 | H16 | 120.3° | 120.0° |
| C8 | C10 | H15 | H16 | 119.0° | 120.0° |
| C8 | C10 | C11 | O4 | 49.2° | 1.2° |
| C8 | C10 | C11 | O5 | 128.3° | 178.8° |
| C10 | C8 | N2 | C4 | 144.3° | 102.8° |
| C10 | C8 | C9 | N3 | 107.2° | 60.0° |
| H14 | C8 | C9 | O3 | 163.1° | 119.9° |
| H14 | C8 | C10 | C11 | 51.3° | 54.7° |
| H14 | C8 | C10 | H15 | 171.6° | 174.7° |
| H14 | C8 | C10 | H16 | 69.0° | 65.3° |
| H14 | C8 | N2 | C4 | 25.8° | 17.2° |
| H14 | C8 | C9 | N3 | 12.1° | 60.0° |
| O3 | C9 | N3 | C12 | 8.7° | 0.1° |
| O3 | C9 | N3 | H18 | 171.3° | 180.0° |
| C11 | C10 | H15 | H16 | 119.0° | 120.0° |
| C10 | C11 | O4 | O5 | 177.5° | 180.0° |
| C10 | C11 | O5 | H17 | 177.5° | 180.0° |
| H15 | C10 | C11 | O4 | 169.5° | 121.2° |
| H15 | C10 | C11 | O5 | 8.0° | 58.8° |
| H16 | C10 | C11 | O4 | 71.1° | 118.9° |
| H16 | C10 | C11 | O5 | 111.4° | 61.1° |
| O4 | C11 | O5 | H17 | 0.0° | 0.0° |
| C12 | N3 | H18 | C9 | 180.0° | 179.9° |
| N3 | C12 | C13 | C14 | 123.1° | 119.9° |
| N3 | C12 | C13 | H19 | 119.9° | 120.0° |
| N3 | C12 | C14 | H19 | 120.9° | 120.0° |
| N3 | C12 | C13 | O6 | 17.0° | 9.0° |
| N3 | C12 | C14 | C15 | 65.8° | 65.3° |
| N3 | C12 | C14 | C16 | 56.7° | 54.7° |
| N3 | C12 | C14 | H20 | 175.7° | 174.8° |
| N3 | C12 | C13 | N4 | 165.7° | 171.0° |
| H18 | N3 | C12 | C13 | 52.4° | 24.9° |
| H18 | N3 | C12 | C14 | 67.9° | 95.1° |
| H18 | N3 | C12 | H19 | 171.8° | 144.9° |
| C13 | C12 | C14 | H19 | 117.1° | 120.1° |
| C12 | C13 | O6 | N4 | 177.1° | 180.0° |
| C13 | C12 | C14 | C15 | 172.2° | 174.8° |
| C13 | C12 | C14 | C16 | 65.3° | 65.2° |
| C13 | C12 | C14 | H20 | 53.8° | 54.8° |
| C12 | C13 | N4 | C17 | 179.7° | 175.0° |
| C12 | C13 | N4 | H27 | 0.3° | 5.0° |
| C13 | C12 | N3 | C9 | 127.6° | 155.0° |
| C14 | C12 | C13 | O6 | 106.0° | 111.0° |
| C12 | C14 | C15 | C16 | 123.0° | 120.0° |
| C12 | C14 | C15 | H20 | 118.4° | 119.9° |
| C12 | C14 | C16 | H20 | 118.5° | 120.0° |
| C12 | C14 | C15 | H21 | 180.0° | 66.4° |
| C12 | C14 | C15 | H22 | 60.0° | 173.7° |
| C12 | C14 | C15 | H23 | 60.0° | 53.7° |
| C12 | C14 | C16 | H24 | 180.0° | 60.0° |
| C12 | C14 | C16 | H25 | 60.0° | 180.0° |
| C12 | C14 | C16 | H26 | 60.0° | 60.0° |
| C14 | C12 | N3 | C9 | 112.1° | 85.0° |
| C14 | C12 | C13 | N4 | 71.2° | 69.1° |
| H19 | C12 | C13 | O6 | 137.0° | 129.0° |
| H19 | C12 | C14 | C15 | 55.1° | 54.7° |
| H19 | C12 | C14 | C16 | 177.6° | 174.7° |
| H19 | C12 | C14 | H20 | 63.4° | 65.2° |
| H19 | C12 | N3 | C9 | 8.2° | 35.0° |
| H19 | C12 | C13 | N4 | 45.8° | 51.0° |
| O6 | C13 | N4 | C17 | 3.2° | 5.0° |
| O6 | C13 | N4 | H27 | 176.9° | 175.1° |
| C15 | C14 | C16 | H20 | 118.2° | 120.0° |
| C14 | C15 | H21 | H22 | 120.0° | 120.0° |
| C14 | C15 | H21 | H23 | 120.0° | 120.0° |
| C14 | C15 | H22 | H23 | 120.0° | 120.0° |
| C15 | C14 | C16 | H24 | 56.7° | 180.0° |
| C15 | C14 | C16 | H25 | 63.3° | 60.0° |
| C15 | C14 | C16 | H26 | 176.8° | 60.0° |
| C16 | C14 | C15 | H21 | 57.0° | 53.7° |
| C16 | C14 | C15 | H22 | 177.0° | 66.3° |
| C16 | C14 | C15 | H23 | 62.9° | 173.7° |
| C14 | C16 | H24 | H25 | 120.0° | 120.0° |
| C14 | C16 | H24 | H26 | 120.0° | 120.0° |
| C14 | C16 | H25 | H26 | 120.0° | 120.0° |
| H20 | C14 | C15 | H21 | 61.6° | 173.7° |
| H20 | C14 | C15 | H22 | 58.4° | 53.8° |
| H20 | C14 | C15 | H23 | 178.4° | 66.2° |
| H20 | C14 | C16 | H24 | 61.5° | 60.0° |
| H20 | C14 | C16 | H25 | 178.5° | 60.0° |
| H20 | C14 | C16 | H26 | 58.5° | 180.0° |
| H21 | C15 | H22 | H23 | 119.9° | 120.0° |
| H24 | C16 | H25 | H26 | 120.0° | 120.0° |
| C17 | N4 | H27 | C13 | 180.0° | 179.9° |
| N4 | C17 | C18 | C19 | 123.5° | 120.0° |
| N4 | C17 | C18 | H28 | 119.2° | 120.0° |
| N4 | C17 | C19 | H28 | 118.1° | 120.0° |
| N4 | C17 | C18 | O7 | 44.1° | 0.0° |
| N4 | C17 | C19 | H29 | 180.0° | 60.0° |
| N4 | C17 | C19 | H30 | 60.0° | 180.0° |
| N4 | C17 | C19 | H31 | 60.0° | 60.0° |
| N4 | C17 | C18 | N5 | 134.2° | 180.0° |
| H27 | N4 | C17 | C18 | 93.7° | 25.1° |
| H27 | N4 | C17 | C19 | 29.3° | 95.0° |
| H27 | N4 | C17 | H28 | 147.3° | 145.0° |
| C18 | C17 | C19 | H28 | 117.2° | 120.0° |
| C17 | C18 | O7 | N5 | 178.2° | 180.0° |
| C18 | C17 | C19 | H29 | 55.2° | 60.0° |
| C18 | C17 | C19 | H30 | 175.2° | 60.0° |
| C18 | C17 | C19 | H31 | 64.8° | 180.0° |
| C17 | C18 | N5 | C20 | 168.9° | 180.0° |
| C17 | C18 | N5 | H32 | 11.0° | 0.0° |
| C18 | C17 | N4 | C13 | 86.3° | 155.0° |
| C19 | C17 | C18 | O7 | 79.4° | 120.0° |
| C17 | C19 | H29 | H30 | 120.0° | 119.9° |
| C17 | C19 | H29 | H31 | 120.0° | 120.0° |
| C17 | C19 | H30 | H31 | 120.0° | 120.0° |
| C19 | C17 | N4 | C13 | 150.6° | 85.0° |
| C19 | C17 | C18 | N5 | 102.3° | 60.0° |
| H28 | C17 | C18 | O7 | 163.3° | 120.0° |
| H28 | C17 | C19 | H29 | 61.9° | 180.0° |
| H28 | C17 | C19 | H30 | 58.1° | 60.0° |
| H28 | C17 | C19 | H31 | 178.1° | 60.0° |
| H28 | C17 | N4 | C13 | 32.7° | 35.0° |
| H28 | C17 | C18 | N5 | 15.0° | 60.0° |
| O7 | C18 | N5 | C20 | 12.8° | 0.0° |
| O7 | C18 | N5 | H32 | 167.2° | 180.0° |
| H29 | C19 | H30 | H31 | 120.0° | 120.1° |
| C20 | N5 | H32 | C18 | 180.0° | 180.0° |
| N5 | C20 | C21 | C22 | 121.4° | 120.0° |
| N5 | C20 | C21 | H33 | 121.0° | 120.0° |
| N5 | C20 | C22 | H33 | 120.0° | 120.1° |
| N5 | C20 | C21 | O8 | 150.6° | 0.1° |
| N5 | C20 | C21 | H34 | 29.4° | 180.0° |
| N5 | C20 | C22 | C23 | 103.9° | 65.0° |
| N5 | C20 | C22 | H35 | 16.6° | 55.0° |
| N5 | C20 | C22 | H36 | 135.6° | 175.0° |
| H32 | N5 | C20 | C21 | 99.5° | 95.0° |
| H32 | N5 | C20 | C22 | 20.7° | 24.9° |
| H32 | N5 | C20 | H33 | 140.1° | 145.0° |
| C21 | C20 | C22 | H33 | 117.6° | 119.9° |
| C20 | C21 | O8 | H34 | 180.0° | 179.9° |
| C21 | C20 | C22 | C23 | 133.6° | 175.0° |
| C21 | C20 | C22 | H35 | 105.9° | 65.0° |
| C21 | C20 | C22 | H36 | 13.1° | 55.0° |
| C21 | C20 | N5 | C18 | 80.5° | 85.0° |
| C22 | C20 | C21 | O8 | 29.3° | 120.1° |
| C22 | C20 | C21 | H34 | 150.7° | 60.0° |
| C20 | C22 | C23 | H35 | 120.5° | 120.0° |
| C20 | C22 | C23 | H36 | 120.5° | 120.1° |
| C20 | C22 | H35 | H36 | 118.5° | 120.1° |
| C20 | C22 | C23 | O9 | 162.0° | 0.0° |
| C20 | C22 | C23 | O10 | 19.5° | 180.0° |
| C22 | C20 | N5 | C18 | 159.3° | 155.0° |
| H33 | C20 | C21 | O8 | 88.4° | 119.9° |
| H33 | C20 | C21 | H34 | 91.6° | 60.0° |
| H33 | C20 | C22 | C23 | 16.1° | 55.1° |
| H33 | C20 | C22 | H35 | 136.6° | 175.0° |
| H33 | C20 | C22 | H36 | 104.5° | 65.0° |
| H33 | C20 | N5 | C18 | 39.9° | 34.9° |
| C23 | C22 | H35 | H36 | 118.5° | 120.0° |
| C22 | C23 | O9 | O10 | 178.3° | 180.0° |
| C22 | C23 | O10 | H37 | 178.3° | 180.0° |
| H35 | C22 | C23 | O9 | 41.5° | 120.0° |
| H35 | C22 | C23 | O10 | 140.0° | 60.0° |
| H36 | C22 | C23 | O9 | 77.5° | 120.0° |
| H36 | C22 | C23 | O10 | 101.0° | 59.9° |
| O9 | C23 | O10 | H37 | 0.0° | 0.0° |
