PRD_001252
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| 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 | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.47Å | 1.45Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.25Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.47Å | 1.47Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.23Å | |
| C14 | O5 | sing | 1.43Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| O5 | H23 | sing | 0.97Å | 0.95Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | C16 | sing | 1.46Å | 1.43Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | O6 | doub | 1.21Å | 1.49Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | CL1 | sing | 1.80Å | 109.41Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C10 | N3 | sing | 1.35Å | 1.36Å | |
| C13 | N4 | sing | 1.35Å | 1.31Å | |
| C17 | C19 | sing | 1.51Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.1° | 120.0° |
| O1 | C1 | N1 | 122.4° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 115.5° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 118.9° | 120.0° |
| N1 | C3 | C4 | 111.2° | 109.5° |
| N1 | C3 | C5 | 110.6° | 109.5° |
| N1 | C3 | H5 | 109.5° | 109.5° |
| C3 | N1 | C1 | 122.2° | 120.0° |
| H4 | N1 | C1 | 118.9° | 120.0° |
| C4 | C3 | C5 | 108.3° | 109.5° |
| C4 | C3 | H5 | 108.7° | 109.4° |
| C3 | C4 | O2 | 120.7° | 120.0° |
| C3 | C4 | N2 | 116.7° | 120.0° |
| C5 | C3 | H5 | 108.4° | 109.5° |
| C3 | C5 | C6 | 112.1° | 109.5° |
| C3 | C5 | C7 | 109.7° | 109.5° |
| C3 | C5 | H6 | 108.2° | 109.5° |
| O2 | C4 | N2 | 122.5° | 120.0° |
| C6 | C5 | C7 | 110.2° | 109.5° |
| C6 | C5 | H6 | 108.2° | 109.4° |
| C5 | C6 | C8 | 111.4° | 109.5° |
| C5 | C6 | H7 | 109.0° | 109.4° |
| C5 | C6 | H8 | 109.0° | 109.5° |
| C7 | C5 | H6 | 108.3° | 109.5° |
| C5 | C7 | H9 | 109.5° | 109.4° |
| C5 | C7 | H10 | 109.5° | 109.4° |
| C5 | C7 | H11 | 109.5° | 109.5° |
| C8 | C6 | H7 | 109.0° | 109.4° |
| C8 | C6 | H8 | 109.0° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.4° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.4° | 109.4° |
| H7 | C6 | H8 | 109.4° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| C9 | N2 | H15 | 118.9° | 120.0° |
| N2 | C9 | C10 | 112.2° | 109.5° |
| N2 | C9 | C11 | 106.9° | 109.4° |
| N2 | C9 | H16 | 109.7° | 109.4° |
| C9 | N2 | C4 | 122.3° | 120.0° |
| H15 | N2 | C4 | 118.8° | 120.0° |
| C10 | C9 | C11 | 110.3° | 109.5° |
| C10 | C9 | H16 | 108.9° | 109.5° |
| C9 | C10 | O3 | 119.5° | 120.0° |
| C9 | C10 | N3 | 117.8° | 120.0° |
| C11 | C9 | H16 | 108.6° | 109.4° |
| C9 | C11 | H17 | 109.5° | 109.5° |
| C9 | C11 | H18 | 109.5° | 109.4° |
| C9 | C11 | H19 | 109.5° | 109.4° |
| O3 | C10 | N3 | 122.6° | 120.0° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.4° | 109.4° |
| C12 | N3 | H20 | 119.9° | 120.0° |
| N3 | C12 | C13 | 112.8° | 109.5° |
| N3 | C12 | C14 | 113.8° | 109.4° |
| N3 | C12 | H21 | 107.5° | 109.4° |
| C12 | N3 | C10 | 120.2° | 120.0° |
| H20 | N3 | C10 | 119.9° | 120.0° |
| C13 | C12 | C14 | 108.5° | 109.5° |
| C13 | C12 | H21 | 107.0° | 109.5° |
| C12 | C13 | O4 | 122.4° | 120.1° |
| C12 | C13 | N4 | 116.3° | 120.0° |
| C14 | C12 | H21 | 106.9° | 109.5° |
| C12 | C14 | O5 | 108.6° | 109.5° |
| C12 | C14 | C15 | 112.1° | 109.5° |
| C12 | C14 | H22 | 108.5° | 109.4° |
| O4 | C13 | N4 | 121.3° | 120.0° |
| O5 | C14 | C15 | 109.7° | 109.5° |
| O5 | C14 | H22 | 109.3° | 109.5° |
| C14 | O5 | H23 | 109.5° | 114.0° |
| C15 | C14 | H22 | 108.6° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.4° |
| C14 | C15 | H25 | 109.5° | 109.5° |
| C14 | C15 | H26 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.4° | 109.5° |
| H24 | C15 | H26 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| C16 | N4 | H27 | 120.8° | 120.0° |
| N4 | C16 | C17 | 110.4° | 109.5° |
| N4 | C16 | C18 | 110.1° | 109.5° |
| N4 | C16 | H28 | 108.2° | 109.4° |
| C16 | N4 | C13 | 118.3° | 120.0° |
| H27 | N4 | C13 | 120.8° | 120.0° |
| C17 | C16 | C18 | 114.2° | 109.5° |
| C17 | C16 | H28 | 106.8° | 109.4° |
| C16 | C17 | O6 | 116.5° | 119.9° |
| C16 | C17 | C19 | 111.0° | 120.0° |
| C18 | C16 | H28 | 106.9° | 109.5° |
| C16 | C18 | H29 | 109.5° | 109.4° |
| C16 | C18 | H30 | 109.5° | 109.5° |
| C16 | C18 | H31 | 109.5° | 109.5° |
| O6 | C17 | C19 | 98.7° | 120.0° |
| H29 | C18 | H30 | 109.5° | 109.4° |
| H29 | C18 | H31 | 109.5° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| CL1 | C19 | H32 | 122.1° | 109.5° |
| CL1 | C19 | H33 | 122.1° | 109.5° |
| CL1 | C19 | C17 | 45.8° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| H32 | C19 | C17 | 122.1° | 109.4° |
| H33 | C19 | C17 | 122.1° | 109.5° |
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° | 120.1° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 0.7° | 0.0° |
| O1 | C1 | N1 | H4 | 179.3° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 119.9° |
| C2 | C1 | N1 | C3 | 179.2° | 179.7° |
| C2 | C1 | N1 | H4 | 0.8° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.1° |
| H1 | C2 | C1 | N1 | 179.9° | 179.7° |
| H2 | C2 | C1 | N1 | 59.9° | 59.7° |
| H3 | C2 | C1 | N1 | 60.1° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 121.7° | 120.0° |
| N1 | C3 | C4 | H5 | 120.6° | 120.0° |
| N1 | C3 | C5 | H5 | 120.1° | 120.0° |
| N1 | C3 | C4 | O2 | 58.1° | 20.0° |
| N1 | C3 | C5 | C6 | 60.3° | 60.0° |
| N1 | C3 | C5 | C7 | 176.9° | 180.0° |
| N1 | C3 | C5 | H6 | 58.9° | 60.0° |
| N1 | C3 | C4 | N2 | 125.9° | 160.0° |
| H4 | N1 | C3 | C4 | 104.3° | 120.0° |
| H4 | N1 | C3 | C5 | 16.1° | 120.0° |
| H4 | N1 | C3 | H5 | 135.6° | 0.0° |
| C4 | C3 | C5 | H5 | 117.8° | 120.0° |
| C3 | C4 | O2 | N2 | 175.7° | 180.0° |
| C4 | C3 | C5 | C6 | 177.6° | 180.0° |
| C4 | C3 | C5 | C7 | 54.8° | 60.0° |
| C4 | C3 | C5 | H6 | 63.2° | 60.0° |
| C3 | C4 | N2 | C9 | 178.2° | 180.0° |
| C3 | C4 | N2 | H15 | 1.9° | 0.0° |
| C4 | C3 | N1 | C1 | 75.7° | 60.0° |
| C5 | C3 | C4 | O2 | 63.6° | 100.0° |
| C3 | C5 | C6 | C7 | 122.5° | 120.0° |
| C3 | C5 | C6 | H6 | 119.3° | 120.0° |
| C3 | C5 | C7 | H6 | 117.9° | 120.0° |
| C3 | C5 | C6 | C8 | 169.7° | 175.0° |
| C3 | C5 | C6 | H7 | 70.0° | 65.1° |
| C3 | C5 | C6 | H8 | 49.4° | 54.9° |
| C3 | C5 | C7 | H9 | 180.0° | 60.1° |
| C3 | C5 | C7 | H10 | 60.0° | 180.0° |
| C3 | C5 | C7 | H11 | 60.0° | 60.0° |
| C5 | C3 | N1 | C1 | 163.9° | 60.0° |
| C5 | C3 | C4 | N2 | 112.3° | 80.0° |
| H5 | C3 | C4 | O2 | 178.8° | 140.0° |
| H5 | C3 | C5 | C6 | 59.8° | 60.0° |
| H5 | C3 | C5 | C7 | 63.0° | 60.0° |
| H5 | C3 | C5 | H6 | 179.0° | 180.0° |
| H5 | C3 | N1 | C1 | 44.4° | 180.0° |
| H5 | C3 | C4 | N2 | 5.3° | 40.0° |
| O2 | C4 | N2 | C9 | 2.3° | 0.0° |
| O2 | C4 | N2 | H15 | 177.7° | 180.0° |
| C6 | C5 | C7 | H6 | 118.2° | 120.0° |
| C5 | C6 | C8 | H7 | 120.3° | 119.9° |
| C5 | C6 | C8 | H8 | 120.3° | 120.1° |
| C5 | C6 | H7 | H8 | 119.1° | 120.0° |
| C6 | C5 | C7 | H9 | 56.1° | 60.0° |
| C6 | C5 | C7 | H10 | 176.1° | 60.0° |
| C6 | C5 | C7 | H11 | 63.9° | 180.0° |
| C5 | C6 | C8 | H12 | 180.0° | 60.1° |
| C5 | C6 | C8 | H13 | 60.0° | 59.9° |
| C5 | C6 | C8 | H14 | 60.0° | 180.0° |
| C7 | C5 | C6 | C8 | 67.8° | 65.0° |
| C7 | C5 | C6 | H7 | 52.5° | 55.0° |
| C7 | C5 | C6 | H8 | 171.9° | 175.0° |
| C5 | C7 | H9 | H10 | 120.0° | 119.9° |
| C5 | C7 | H9 | H11 | 120.0° | 120.1° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| H6 | C5 | C6 | C8 | 50.4° | 55.0° |
| H6 | C5 | C6 | H7 | 170.7° | 174.9° |
| H6 | C5 | C6 | H8 | 69.9° | 65.0° |
| H6 | C5 | C7 | H9 | 62.1° | 179.9° |
| H6 | C5 | C7 | H10 | 57.9° | 60.0° |
| H6 | C5 | C7 | H11 | 177.9° | 60.0° |
| C8 | C6 | H7 | H8 | 119.1° | 120.1° |
| C6 | C8 | H12 | H13 | 120.0° | 120.1° |
| C6 | C8 | H12 | H14 | 120.0° | 119.9° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| H7 | C6 | C8 | H12 | 59.7° | 180.0° |
| H7 | C6 | C8 | H13 | 179.7° | 60.0° |
| H7 | C6 | C8 | H14 | 60.3° | 60.1° |
| H8 | C6 | C8 | H12 | 59.7° | 60.0° |
| H8 | C6 | C8 | H13 | 60.3° | 180.0° |
| H8 | C6 | C8 | H14 | 179.7° | 59.9° |
| H9 | C7 | H10 | H11 | 120.0° | 120.1° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| C9 | N2 | H15 | C4 | 180.0° | 180.0° |
| N2 | C9 | C10 | C11 | 119.1° | 120.0° |
| N2 | C9 | C10 | H16 | 121.7° | 120.0° |
| N2 | C9 | C11 | H16 | 118.4° | 119.9° |
| N2 | C9 | C10 | O3 | 39.1° | 0.0° |
| N2 | C9 | C11 | H17 | 180.0° | 60.0° |
| N2 | C9 | C11 | H18 | 60.0° | 60.1° |
| N2 | C9 | C11 | H19 | 60.0° | 180.0° |
| N2 | C9 | C10 | N3 | 143.8° | 180.0° |
| H15 | N2 | C9 | C10 | 90.4° | 25.0° |
| H15 | N2 | C9 | C11 | 30.7° | 95.0° |
| H15 | N2 | C9 | H16 | 148.4° | 145.0° |
| C10 | C9 | C11 | H16 | 119.4° | 120.1° |
| C9 | C10 | O3 | N3 | 176.9° | 180.0° |
| C10 | C9 | C11 | H17 | 57.7° | 180.0° |
| C10 | C9 | C11 | H18 | 177.7° | 59.9° |
| C10 | C9 | C11 | H19 | 62.3° | 60.0° |
| C9 | C10 | N3 | C12 | 178.1° | 180.0° |
| C9 | C10 | N3 | H20 | 1.9° | 0.1° |
| C10 | C9 | N2 | C4 | 89.7° | 155.0° |
| C11 | C9 | C10 | O3 | 80.0° | 120.0° |
| C9 | C11 | H17 | H18 | 120.0° | 120.0° |
| C9 | C11 | H17 | H19 | 120.0° | 120.0° |
| C9 | C11 | H18 | H19 | 120.0° | 119.9° |
| C11 | C9 | N2 | C4 | 149.2° | 85.0° |
| C11 | C9 | C10 | N3 | 97.1° | 60.0° |
| H16 | C9 | C10 | O3 | 160.8° | 120.0° |
| H16 | C9 | C11 | H17 | 61.6° | 60.0° |
| H16 | C9 | C11 | H18 | 58.4° | 180.0° |
| H16 | C9 | C11 | H19 | 178.3° | 60.1° |
| H16 | C9 | N2 | C4 | 31.6° | 34.9° |
| H16 | C9 | C10 | N3 | 22.1° | 60.0° |
| O3 | C10 | N3 | C12 | 1.1° | 0.0° |
| O3 | C10 | N3 | H20 | 178.9° | 180.0° |
| H17 | C11 | H18 | H19 | 120.0° | 120.0° |
| C12 | N3 | H20 | C10 | 180.0° | 179.9° |
| N3 | C12 | C13 | C14 | 127.0° | 120.0° |
| N3 | C12 | C13 | H21 | 118.0° | 120.0° |
| N3 | C12 | C14 | H21 | 118.4° | 120.0° |
| N3 | C12 | C13 | O4 | 38.5° | 0.0° |
| N3 | C12 | C14 | O5 | 177.3° | 65.0° |
| N3 | C12 | C14 | C15 | 55.9° | 55.0° |
| N3 | C12 | C14 | H22 | 64.0° | 175.0° |
| N3 | C12 | C13 | N4 | 143.9° | 180.0° |
| H20 | N3 | C12 | C13 | 73.5° | 25.1° |
| H20 | N3 | C12 | C14 | 50.7° | 94.9° |
| H20 | N3 | C12 | H21 | 168.8° | 145.1° |
| C13 | C12 | C14 | H21 | 115.1° | 120.1° |
| C12 | C13 | O4 | N4 | 177.4° | 180.0° |
| C13 | C12 | C14 | O5 | 50.8° | 55.0° |
| C13 | C12 | C14 | C15 | 70.6° | 175.0° |
| C13 | C12 | C14 | H22 | 169.5° | 65.0° |
| C12 | C13 | N4 | C16 | 179.1° | 180.0° |
| C12 | C13 | N4 | H27 | 0.9° | 0.0° |
| C13 | C12 | N3 | C10 | 106.5° | 155.0° |
| C14 | C12 | C13 | O4 | 88.5° | 120.0° |
| C12 | C14 | O5 | C15 | 122.9° | 120.0° |
| C12 | C14 | O5 | H22 | 118.2° | 120.0° |
| C12 | C14 | C15 | H22 | 119.9° | 120.0° |
| C12 | C14 | O5 | H23 | 56.7° | 60.0° |
| C12 | C14 | C15 | H24 | 180.0° | 60.0° |
| C12 | C14 | C15 | H25 | 60.0° | 180.0° |
| C12 | C14 | C15 | H26 | 60.0° | 60.0° |
| C14 | C12 | N3 | C10 | 129.3° | 85.0° |
| C14 | C12 | C13 | N4 | 89.0° | 60.0° |
| H21 | C12 | C13 | O4 | 156.5° | 120.0° |
| H21 | C12 | C14 | O5 | 64.3° | 175.0° |
| H21 | C12 | C14 | C15 | 174.4° | 64.9° |
| H21 | C12 | C14 | H22 | 54.4° | 55.0° |
| H21 | C12 | N3 | C10 | 11.2° | 35.0° |
| H21 | C12 | C13 | N4 | 25.9° | 60.0° |
| O4 | C13 | N4 | C16 | 3.4° | 0.0° |
| O4 | C13 | N4 | H27 | 176.7° | 180.0° |
| O5 | C14 | C15 | H22 | 119.3° | 120.0° |
| O5 | C14 | C15 | H24 | 59.3° | 60.0° |
| O5 | C14 | C15 | H25 | 179.2° | 60.0° |
| O5 | C14 | C15 | H26 | 60.8° | 180.0° |
| C15 | C14 | O5 | H23 | 66.2° | 60.0° |
| C14 | C15 | H24 | H25 | 120.0° | 120.0° |
| C14 | C15 | H24 | H26 | 120.0° | 120.0° |
| C14 | C15 | H25 | H26 | 120.0° | 120.0° |
| H22 | C14 | O5 | H23 | 174.9° | 180.0° |
| H22 | C14 | C15 | H24 | 60.1° | 180.0° |
| H22 | C14 | C15 | H25 | 59.9° | 60.0° |
| H22 | C14 | C15 | H26 | 179.9° | 60.0° |
| H24 | C15 | H25 | H26 | 120.0° | 120.0° |
| C16 | N4 | H27 | C13 | 180.0° | 180.0° |
| N4 | C16 | C17 | C18 | 124.7° | 120.1° |
| N4 | C16 | C17 | H28 | 117.4° | 119.9° |
| N4 | C16 | C18 | H28 | 117.2° | 120.0° |
| N4 | C16 | C17 | O6 | 7.9° | 15.1° |
| N4 | C16 | C18 | H29 | 180.0° | 59.9° |
| N4 | C16 | C18 | H30 | 60.0° | 60.0° |
| N4 | C16 | C18 | H31 | 60.0° | 180.0° |
| N4 | C16 | C17 | C19 | 103.9° | 165.0° |
| H27 | N4 | C16 | C17 | 84.7° | 25.1° |
| H27 | N4 | C16 | C18 | 42.3° | 95.0° |
| H27 | N4 | C16 | H28 | 158.8° | 145.0° |
| C17 | C16 | C18 | H28 | 117.9° | 120.0° |
| C16 | C17 | O6 | C19 | 118.8° | 179.9° |
| C17 | C16 | C18 | H29 | 55.1° | 180.0° |
| C17 | C16 | C18 | H30 | 175.1° | 60.1° |
| C17 | C16 | C18 | H31 | 64.9° | 60.0° |
| C16 | C17 | C19 | CL1 | 0.6° | 180.0° |
| C16 | C17 | C19 | H32 | 106.0° | 60.0° |
| C16 | C17 | C19 | H33 | 104.8° | 59.9° |
| C17 | C16 | N4 | C13 | 95.3° | 155.0° |
| C18 | C16 | C17 | O6 | 116.8° | 105.0° |
| C16 | C18 | H29 | H30 | 120.0° | 119.9° |
| C16 | C18 | H29 | H31 | 120.0° | 120.0° |
| C16 | C18 | H30 | H31 | 120.0° | 120.0° |
| C18 | C16 | N4 | C13 | 137.7° | 85.0° |
| C18 | C16 | C17 | C19 | 131.4° | 74.9° |
| H28 | C16 | C17 | O6 | 125.3° | 135.0° |
| H28 | C16 | C18 | H29 | 62.8° | 60.0° |
| H28 | C16 | C18 | H30 | 57.2° | 179.9° |
| H28 | C16 | C18 | H31 | 177.2° | 60.0° |
| H28 | C16 | N4 | C13 | 21.2° | 35.0° |
| H28 | C16 | C17 | C19 | 13.5° | 45.0° |
| O6 | C17 | C19 | CL1 | 122.2° | 0.0° |
| O6 | C17 | C19 | H32 | 16.8° | 120.0° |
| O6 | C17 | C19 | H33 | 132.4° | 120.0° |
| H29 | C18 | H30 | H31 | 120.0° | 120.0° |
| CL1 | C19 | H32 | H33 | 152.6° | 120.0° |
| CL1 | C19 | H32 | C17 | 54.7° | 120.0° |
| CL1 | C19 | H33 | C17 | 54.7° | 120.0° |
| H32 | C19 | H33 | C17 | 152.6° | 120.0° |
