PRD_000238
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 | 1.54Å | |
| 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 | 1.53Å | |
| 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 | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.25Å | |
| C6 | O4 | sing | 1.34Å | 1.25Å | |
| 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 | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| 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 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | O6 | doub | 1.21Å | 1.25Å | |
| C11 | O7 | sing | 1.34Å | 1.25Å | |
| O7 | H15 | sing | 0.97Å | 0.95Å | |
| N3 | C12 | sing | 1.47Å | 1.47Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.55Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | O8 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | C17 | sing | 1.46Å | 1.46Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | O9 | doub | 1.21Å | 1.24Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | O10 | doub | 1.21Å | 1.25Å | |
| C20 | O11 | sing | 1.34Å | 1.25Å | |
| O11 | H29 | sing | 0.97Å | 0.95Å | |
| C21 | CL1 | sing | 1.80Å | 74.81Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 2.80Å | |
| C18 | C21 | sing | 1.51Å | 1.53Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C8 | N3 | sing | 1.35Å | 1.33Å | |
| C13 | N4 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 117.6° | 120.0° |
| O1 | C1 | N1 | 91.2° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 111.7° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 135.1° | 120.0° |
| N1 | C3 | C4 | 109.1° | 109.5° |
| N1 | C3 | C5 | 109.4° | 109.5° |
| N1 | C3 | H5 | 109.5° | 109.5° |
| C3 | N1 | C1 | 89.9° | 120.0° |
| H4 | N1 | C1 | 135.0° | 120.0° |
| C4 | C3 | C5 | 111.7° | 109.4° |
| C4 | C3 | H5 | 108.5° | 109.5° |
| C3 | C4 | O2 | 120.1° | 120.0° |
| C3 | C4 | N2 | 117.0° | 120.0° |
| C5 | C3 | H5 | 108.5° | 109.5° |
| C3 | C5 | C6 | 112.4° | 109.5° |
| C3 | C5 | H6 | 108.7° | 109.4° |
| C3 | C5 | H7 | 108.7° | 109.5° |
| O2 | C4 | N2 | 122.9° | 120.0° |
| C6 | C5 | H6 | 108.7° | 109.4° |
| C6 | C5 | H7 | 108.8° | 109.5° |
| C5 | C6 | O3 | 118.2° | 120.0° |
| C5 | C6 | O4 | 118.8° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| O3 | C6 | O4 | 123.0° | 120.0° |
| C6 | O4 | H8 | 109.5° | 116.9° |
| C7 | N2 | H9 | 119.1° | 120.0° |
| N2 | C7 | C8 | 110.0° | 109.5° |
| N2 | C7 | C9 | 110.5° | 109.5° |
| N2 | C7 | H10 | 109.5° | 109.5° |
| C7 | N2 | C4 | 121.9° | 120.0° |
| H9 | N2 | C4 | 119.0° | 120.0° |
| C8 | C7 | C9 | 109.6° | 109.5° |
| C8 | C7 | H10 | 108.7° | 109.5° |
| C7 | C8 | O5 | 120.3° | 120.0° |
| C7 | C8 | N3 | 116.8° | 120.0° |
| C9 | C7 | H10 | 108.5° | 109.4° |
| C7 | C9 | C10 | 114.1° | 109.5° |
| C7 | C9 | H11 | 108.3° | 109.5° |
| C7 | C9 | H12 | 108.3° | 109.5° |
| O5 | C8 | N3 | 122.9° | 120.0° |
| C10 | C9 | H11 | 108.3° | 109.5° |
| C10 | C9 | H12 | 108.3° | 109.5° |
| C9 | C10 | C11 | 114.3° | 109.5° |
| C9 | C10 | H13 | 108.3° | 109.5° |
| C9 | C10 | H14 | 108.3° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| C11 | C10 | H13 | 108.3° | 109.4° |
| C11 | C10 | H14 | 108.3° | 109.5° |
| C10 | C11 | O6 | 120.0° | 120.0° |
| C10 | C11 | O7 | 117.7° | 120.0° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| O6 | C11 | O7 | 122.3° | 120.0° |
| C11 | O7 | H15 | 109.5° | 117.0° |
| C12 | N3 | H16 | 119.3° | 120.0° |
| N3 | C12 | C13 | 111.2° | 109.5° |
| N3 | C12 | C14 | 112.2° | 109.4° |
| N3 | C12 | H17 | 108.4° | 109.5° |
| C12 | N3 | C8 | 121.4° | 120.0° |
| H16 | N3 | C8 | 119.3° | 120.0° |
| C13 | C12 | C14 | 109.9° | 109.5° |
| C13 | C12 | H17 | 107.6° | 109.5° |
| C12 | C13 | O8 | 120.7° | 120.0° |
| C12 | C13 | N4 | 116.9° | 120.0° |
| C14 | C12 | H17 | 107.3° | 109.4° |
| C12 | C14 | C15 | 110.3° | 109.5° |
| C12 | C14 | C16 | 111.0° | 109.5° |
| C12 | C14 | H18 | 108.0° | 109.5° |
| O8 | C13 | N4 | 122.5° | 119.9° |
| C15 | C14 | C16 | 110.8° | 109.5° |
| C15 | C14 | H18 | 108.3° | 109.5° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C14 | C15 | H20 | 109.5° | 109.4° |
| C14 | C15 | H21 | 109.5° | 109.5° |
| C16 | C14 | H18 | 108.3° | 109.4° |
| C14 | C16 | H22 | 109.5° | 109.4° |
| C14 | C16 | H23 | 109.5° | 109.4° |
| C14 | C16 | H24 | 109.5° | 109.4° |
| H19 | C15 | H20 | 109.5° | 109.4° |
| H19 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.4° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H22 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| C17 | N4 | H25 | 119.4° | 119.9° |
| N4 | C17 | C18 | 113.0° | 109.5° |
| N4 | C17 | C19 | 109.9° | 109.5° |
| N4 | C17 | H26 | 108.4° | 109.4° |
| C17 | N4 | C13 | 121.1° | 120.1° |
| H25 | N4 | C13 | 119.5° | 120.0° |
| C18 | C17 | C19 | 110.5° | 109.5° |
| C18 | C17 | H26 | 107.4° | 109.5° |
| C17 | C18 | O9 | 120.8° | 120.0° |
| C17 | C18 | C21 | 122.1° | 120.0° |
| C19 | C17 | H26 | 107.5° | 109.4° |
| C17 | C19 | C20 | 112.0° | 109.5° |
| C17 | C19 | H27 | 108.8° | 109.5° |
| C17 | C19 | H28 | 108.8° | 109.5° |
| O9 | C18 | C21 | 117.1° | 120.0° |
| C20 | C19 | H27 | 108.8° | 109.5° |
| C20 | C19 | H28 | 108.8° | 109.5° |
| C19 | C20 | O10 | 117.5° | 120.0° |
| C19 | C20 | O11 | 119.8° | 120.0° |
| H27 | C19 | H28 | 109.5° | 109.4° |
| O10 | C20 | O11 | 122.8° | 120.1° |
| C20 | O11 | H29 | 109.5° | 117.0° |
| CL1 | C21 | H30 | 117.9° | 109.5° |
| CL1 | C21 | H31 | 117.9° | 109.5° |
| CL1 | C21 | C18 | 71.6° | 109.5° |
| H30 | C21 | H31 | 109.4° | 109.5° |
| H30 | C21 | C18 | 117.9° | 109.5° |
| H31 | C21 | C18 | 117.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 103.5° | 179.8° |
| 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 | 39.9° | 5.4° |
| O1 | C1 | N1 | H4 | 140.0° | 174.7° |
| 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 | 160.5° | 174.4° |
| C2 | C1 | N1 | H4 | 19.5° | 5.6° |
| H1 | C2 | H2 | H3 | 120.0° | 119.9° |
| H1 | C2 | C1 | N1 | 103.6° | 179.8° |
| H2 | C2 | C1 | N1 | 16.5° | 59.7° |
| H3 | C2 | C1 | N1 | 136.5° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 121.1° | 120.0° |
| N1 | C3 | C4 | H5 | 119.3° | 120.0° |
| N1 | C3 | C5 | H5 | 119.4° | 120.0° |
| N1 | C3 | C4 | O2 | 22.3° | 0.1° |
| N1 | C3 | C5 | C6 | 62.8° | 63.5° |
| N1 | C3 | C5 | H6 | 57.6° | 56.4° |
| N1 | C3 | C5 | H7 | 176.7° | 176.4° |
| N1 | C3 | C4 | N2 | 154.9° | 180.0° |
| H4 | N1 | C3 | C4 | 78.7° | 94.4° |
| H4 | N1 | C3 | C5 | 43.8° | 25.6° |
| H4 | N1 | C3 | H5 | 162.6° | 145.6° |
| C4 | C3 | C5 | H5 | 119.6° | 120.0° |
| C3 | C4 | O2 | N2 | 177.0° | 179.9° |
| C4 | C3 | C5 | C6 | 176.2° | 176.5° |
| C4 | C3 | C5 | H6 | 63.4° | 63.6° |
| C4 | C3 | C5 | H7 | 55.8° | 56.4° |
| C3 | C4 | N2 | C7 | 179.6° | 180.0° |
| C3 | C4 | N2 | H9 | 0.4° | 0.0° |
| C4 | C3 | N1 | C1 | 101.3° | 85.6° |
| C5 | C3 | C4 | O2 | 98.8° | 120.1° |
| C3 | C5 | C6 | H6 | 120.4° | 119.9° |
| C3 | C5 | C6 | H7 | 120.4° | 120.0° |
| C3 | C5 | H6 | H7 | 118.7° | 120.0° |
| C3 | C5 | C6 | O3 | 67.3° | 5.8° |
| C3 | C5 | C6 | O4 | 112.7° | 174.2° |
| C5 | C3 | N1 | C1 | 136.2° | 154.4° |
| C5 | C3 | C4 | N2 | 84.0° | 60.0° |
| H5 | C3 | C4 | O2 | 141.6° | 120.0° |
| H5 | C3 | C5 | C6 | 56.6° | 56.5° |
| H5 | C3 | C5 | H6 | 177.0° | 176.4° |
| H5 | C3 | C5 | H7 | 63.9° | 63.6° |
| H5 | C3 | N1 | C1 | 17.4° | 34.4° |
| H5 | C3 | C4 | N2 | 35.6° | 59.9° |
| O2 | C4 | N2 | C7 | 2.5° | 0.1° |
| O2 | C4 | N2 | H9 | 177.5° | 179.9° |
| C6 | C5 | H6 | H7 | 118.7° | 120.1° |
| C5 | C6 | O3 | O4 | 179.9° | 180.0° |
| C5 | C6 | O4 | H8 | 180.0° | 180.0° |
| H6 | C5 | C6 | O3 | 172.3° | 125.8° |
| H6 | C5 | C6 | O4 | 7.7° | 54.3° |
| H7 | C5 | C6 | O3 | 53.2° | 114.2° |
| H7 | C5 | C6 | O4 | 126.9° | 65.8° |
| O3 | C6 | O4 | H8 | 0.0° | 0.0° |
| C7 | N2 | H9 | C4 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 121.7° | 120.0° |
| N2 | C7 | C8 | H10 | 119.9° | 120.1° |
| N2 | C7 | C9 | H10 | 120.1° | 120.0° |
| N2 | C7 | C8 | O5 | 23.6° | 0.0° |
| N2 | C7 | C9 | C10 | 56.8° | 65.0° |
| N2 | C7 | C9 | H11 | 63.8° | 55.0° |
| N2 | C7 | C9 | H12 | 177.5° | 175.0° |
| N2 | C7 | C8 | N3 | 155.2° | 180.0° |
| H9 | N2 | C7 | C8 | 44.5° | 25.0° |
| H9 | N2 | C7 | C9 | 76.6° | 95.0° |
| H9 | N2 | C7 | H10 | 163.9° | 145.0° |
| C8 | C7 | C9 | H10 | 118.6° | 120.0° |
| C7 | C8 | O5 | N3 | 178.7° | 180.0° |
| C8 | C7 | C9 | C10 | 178.2° | 175.0° |
| C8 | C7 | C9 | H11 | 57.5° | 65.0° |
| C8 | C7 | C9 | H12 | 61.1° | 55.0° |
| C7 | C8 | N3 | C12 | 179.1° | 180.0° |
| C7 | C8 | N3 | H16 | 0.9° | 0.0° |
| C8 | C7 | N2 | C4 | 135.5° | 155.0° |
| C9 | C7 | C8 | O5 | 98.1° | 120.0° |
| C7 | C9 | C10 | H11 | 120.7° | 120.0° |
| C7 | C9 | C10 | H12 | 120.7° | 120.0° |
| C7 | C9 | H11 | H12 | 117.9° | 120.0° |
| C7 | C9 | C10 | C11 | 176.9° | 180.0° |
| C7 | C9 | C10 | H13 | 56.2° | 60.0° |
| C7 | C9 | C10 | H14 | 62.4° | 60.0° |
| C9 | C7 | N2 | C4 | 103.4° | 85.0° |
| C9 | C7 | C8 | N3 | 83.2° | 60.0° |
| H10 | C7 | C8 | O5 | 143.5° | 120.1° |
| H10 | C7 | C9 | C10 | 63.2° | 55.0° |
| H10 | C7 | C9 | H11 | 176.1° | 175.0° |
| H10 | C7 | C9 | H12 | 57.4° | 65.0° |
| H10 | C7 | N2 | C4 | 16.1° | 34.9° |
| H10 | C7 | C8 | N3 | 35.3° | 59.9° |
| O5 | C8 | N3 | C12 | 2.2° | 0.0° |
| O5 | C8 | N3 | H16 | 177.8° | 180.0° |
| C10 | C9 | H11 | H12 | 117.9° | 120.0° |
| C9 | C10 | C11 | H13 | 120.7° | 120.0° |
| C9 | C10 | C11 | H14 | 120.7° | 120.0° |
| C9 | C10 | H13 | H14 | 117.8° | 120.0° |
| C9 | C10 | C11 | O6 | 15.3° | 0.0° |
| C9 | C10 | C11 | O7 | 165.4° | 180.0° |
| H11 | C9 | C10 | C11 | 62.4° | 60.0° |
| H11 | C9 | C10 | H13 | 176.9° | 180.0° |
| H11 | C9 | C10 | H14 | 58.3° | 60.0° |
| H12 | C9 | C10 | C11 | 56.2° | 60.0° |
| H12 | C9 | C10 | H13 | 64.5° | 60.0° |
| H12 | C9 | C10 | H14 | 177.0° | 180.0° |
| C11 | C10 | H13 | H14 | 117.8° | 120.0° |
| C10 | C11 | O6 | O7 | 179.3° | 179.9° |
| C10 | C11 | O7 | H15 | 179.3° | 180.0° |
| H13 | C10 | C11 | O6 | 136.0° | 120.0° |
| H13 | C10 | C11 | O7 | 44.7° | 60.0° |
| H14 | C10 | C11 | O6 | 105.4° | 120.0° |
| H14 | C10 | C11 | O7 | 73.9° | 60.0° |
| O6 | C11 | O7 | H15 | 0.0° | 0.0° |
| C12 | N3 | H16 | C8 | 180.0° | 180.0° |
| N3 | C12 | C13 | C14 | 124.9° | 120.0° |
| N3 | C12 | C13 | H17 | 118.5° | 120.1° |
| N3 | C12 | C14 | H17 | 118.9° | 120.0° |
| N3 | C12 | C13 | O8 | 26.1° | 17.6° |
| N3 | C12 | C14 | C15 | 65.9° | 65.2° |
| N3 | C12 | C14 | C16 | 57.3° | 54.9° |
| N3 | C12 | C14 | H18 | 175.9° | 174.8° |
| N3 | C12 | C13 | N4 | 154.7° | 162.3° |
| H16 | N3 | C12 | C13 | 77.7° | 25.0° |
| H16 | N3 | C12 | C14 | 45.9° | 95.0° |
| H16 | N3 | C12 | H17 | 164.3° | 145.0° |
| C13 | C12 | C14 | H17 | 116.8° | 120.0° |
| C12 | C13 | O8 | N4 | 179.2° | 180.0° |
| C13 | C12 | C14 | C15 | 169.9° | 174.9° |
| C13 | C12 | C14 | C16 | 67.0° | 65.1° |
| C13 | C12 | C14 | H18 | 51.6° | 54.8° |
| C12 | C13 | N4 | C17 | 178.8° | 174.9° |
| C12 | C13 | N4 | H25 | 1.2° | 5.1° |
| C13 | C12 | N3 | C8 | 102.3° | 155.0° |
| C14 | C12 | C13 | O8 | 98.8° | 102.3° |
| C12 | C14 | C15 | C16 | 123.3° | 120.0° |
| C12 | C14 | C15 | H18 | 118.0° | 120.0° |
| C12 | C14 | C16 | H18 | 118.4° | 120.0° |
| C12 | C14 | C15 | H19 | 180.0° | 67.8° |
| C12 | C14 | C15 | H20 | 60.0° | 172.3° |
| C12 | C14 | C15 | H21 | 60.0° | 52.3° |
| C12 | C14 | C16 | H22 | 180.0° | 60.0° |
| C12 | C14 | C16 | H23 | 60.0° | 180.0° |
| C12 | C14 | C16 | H24 | 60.0° | 60.0° |
| C14 | C12 | N3 | C8 | 134.1° | 85.0° |
| C14 | C12 | C13 | N4 | 80.4° | 77.7° |
| H17 | C12 | C13 | O8 | 144.6° | 137.7° |
| H17 | C12 | C14 | C15 | 53.1° | 54.9° |
| H17 | C12 | C14 | C16 | 176.3° | 174.9° |
| H17 | C12 | C14 | H18 | 65.1° | 65.2° |
| H17 | C12 | N3 | C8 | 15.7° | 35.0° |
| H17 | C12 | C13 | N4 | 36.2° | 42.2° |
| O8 | C13 | N4 | C17 | 2.0° | 5.0° |
| O8 | C13 | N4 | H25 | 178.0° | 174.9° |
| C15 | C14 | C16 | H18 | 118.7° | 120.0° |
| C14 | C15 | H19 | H20 | 120.0° | 119.9° |
| C14 | C15 | H19 | H21 | 120.0° | 120.0° |
| C14 | C15 | H20 | H21 | 120.0° | 120.0° |
| C15 | C14 | C16 | H22 | 57.1° | 180.0° |
| C15 | C14 | C16 | H23 | 62.9° | 60.0° |
| C15 | C14 | C16 | H24 | 177.1° | 60.0° |
| C16 | C14 | C15 | H19 | 56.7° | 52.2° |
| C16 | C14 | C15 | H20 | 176.7° | 67.7° |
| C16 | C14 | C15 | H21 | 63.4° | 172.3° |
| C14 | C16 | H22 | H23 | 120.0° | 120.0° |
| C14 | C16 | H22 | H24 | 120.0° | 120.0° |
| C14 | C16 | H23 | H24 | 120.0° | 119.9° |
| H18 | C14 | C15 | H19 | 62.0° | 172.2° |
| H18 | C14 | C15 | H20 | 58.0° | 52.3° |
| H18 | C14 | C15 | H21 | 178.0° | 67.7° |
| H18 | C14 | C16 | H22 | 61.6° | 60.0° |
| H18 | C14 | C16 | H23 | 178.4° | 60.1° |
| H18 | C14 | C16 | H24 | 58.4° | 180.0° |
| H19 | C15 | H20 | H21 | 120.0° | 120.1° |
| H22 | C16 | H23 | H24 | 120.0° | 120.1° |
| C17 | N4 | H25 | C13 | 180.0° | 179.9° |
| N4 | C17 | C18 | C19 | 123.6° | 120.0° |
| N4 | C17 | C18 | H26 | 119.5° | 120.0° |
| N4 | C17 | C19 | H26 | 117.7° | 120.0° |
| N4 | C17 | C18 | O9 | 130.5° | 15.0° |
| N4 | C17 | C19 | C20 | 89.5° | 64.9° |
| N4 | C17 | C19 | H27 | 30.9° | 55.1° |
| N4 | C17 | C19 | H28 | 150.1° | 175.0° |
| N4 | C17 | C18 | C21 | 50.1° | 164.9° |
| H25 | N4 | C17 | C18 | 83.4° | 95.0° |
| H25 | N4 | C17 | C19 | 40.6° | 25.1° |
| H25 | N4 | C17 | H26 | 157.7° | 145.0° |
| C18 | C17 | C19 | H26 | 116.9° | 120.0° |
| C17 | C18 | O9 | C21 | 179.4° | 179.9° |
| C18 | C17 | C19 | C20 | 145.1° | 175.0° |
| C18 | C17 | C19 | H27 | 94.5° | 65.0° |
| C18 | C17 | C19 | H28 | 24.7° | 55.0° |
| C17 | C18 | C21 | CL1 | 169.9° | 180.0° |
| C17 | C18 | C21 | H30 | 77.6° | 60.0° |
| C17 | C18 | C21 | H31 | 57.4° | 60.0° |
| C18 | C17 | N4 | C13 | 96.7° | 85.0° |
| C19 | C17 | C18 | O9 | 6.9° | 105.1° |
| C17 | C19 | C20 | H27 | 120.4° | 120.0° |
| C17 | C19 | C20 | H28 | 120.4° | 120.0° |
| C17 | C19 | H27 | H28 | 118.8° | 120.0° |
| C17 | C19 | C20 | O10 | 25.1° | 0.0° |
| C17 | C19 | C20 | O11 | 153.8° | 180.0° |
| C19 | C17 | C18 | C21 | 173.8° | 75.0° |
| C19 | C17 | N4 | C13 | 139.4° | 155.0° |
| H26 | C17 | C18 | O9 | 110.1° | 135.0° |
| H26 | C17 | C19 | C20 | 28.2° | 55.0° |
| H26 | C17 | C19 | H27 | 148.6° | 175.0° |
| H26 | C17 | C19 | H28 | 92.1° | 65.0° |
| H26 | C17 | C18 | C21 | 69.3° | 44.9° |
| H26 | C17 | N4 | C13 | 22.2° | 35.1° |
| O9 | C18 | C21 | CL1 | 10.7° | 0.1° |
| O9 | C18 | C21 | H30 | 101.8° | 119.9° |
| O9 | C18 | C21 | H31 | 123.2° | 120.0° |
| C20 | C19 | H27 | H28 | 118.8° | 120.0° |
| C19 | C20 | O10 | O11 | 178.9° | 180.0° |
| C19 | C20 | O11 | H29 | 178.9° | 180.0° |
| H27 | C19 | C20 | O10 | 145.4° | 120.0° |
| H27 | C19 | C20 | O11 | 33.5° | 60.0° |
| H28 | C19 | C20 | O10 | 95.3° | 120.0° |
| H28 | C19 | C20 | O11 | 85.8° | 60.0° |
| O10 | C20 | O11 | H29 | 0.0° | 0.0° |
| CL1 | C21 | H30 | H31 | 138.6° | 120.0° |
| CL1 | C21 | H30 | C18 | 82.9° | 120.0° |
| CL1 | C21 | H31 | C18 | 82.9° | 120.0° |
| H30 | C21 | H31 | C18 | 138.5° | 120.0° |
