PRD_002249
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C24 | sing | 1.43Å | 1.41Å | |
| C24 | C20 | sing | 1.53Å | 1.55Å | |
| O4 | C23 | doub | 1.21Å | 1.19Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | N3 | sing | 1.48Å | 1.46Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.51Å | 1.54Å | |
| C23 | N1 | sing | 1.37Å | 1.45Å | |
| C2 | N1 | sing | 1.48Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| N3 | C15 | sing | 1.36Å | 1.44Å | |
| O3 | C15 | doub | 1.21Å | 1.20Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C16 | C14 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C14 | N2 | sing | 1.46Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| N2 | C1 | sing | 1.35Å | 1.45Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.19Å | |
| C1 | O2 | sing | 1.35Å | 1.42Å | |
| O2 | C7 | sing | 1.45Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | CL1 | sing | 1.74Å | 1.77Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| O5 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C24 | C20 | 106.8° | 109.5° |
| O5 | C24 | H34 | 110.1° | 109.4° |
| O5 | C24 | H35 | 110.1° | 109.4° |
| C24 | O5 | H36 | 109.5° | 114.0° |
| C24 | C20 | C21 | 111.5° | 109.5° |
| C24 | C20 | N3 | 107.9° | 109.5° |
| C24 | C20 | H29 | 108.8° | 109.7° |
| C20 | C24 | H34 | 110.2° | 109.5° |
| C20 | C24 | H35 | 110.1° | 109.5° |
| O4 | C23 | C22 | 124.2° | 120.8° |
| O4 | C23 | N1 | 121.8° | 120.7° |
| C21 | C20 | N3 | 109.8° | 108.8° |
| C20 | C21 | C22 | 112.7° | 109.4° |
| C21 | C20 | H29 | 109.0° | 109.6° |
| C20 | C21 | H30 | 108.7° | 109.4° |
| C20 | C21 | H31 | 108.7° | 109.5° |
| C20 | N3 | C15 | 119.7° | 116.2° |
| C20 | N3 | H28 | 120.2° | 121.9° |
| N3 | C20 | H29 | 109.9° | 109.6° |
| C21 | C22 | C23 | 113.3° | 109.5° |
| C22 | C21 | H30 | 108.7° | 109.5° |
| C22 | C21 | H31 | 108.7° | 109.5° |
| C21 | C22 | H32 | 108.5° | 109.4° |
| C21 | C22 | H33 | 108.5° | 109.5° |
| C22 | C23 | N1 | 114.0° | 118.5° |
| C23 | C22 | H32 | 108.5° | 109.5° |
| C23 | C22 | H33 | 108.5° | 109.5° |
| C23 | N1 | C2 | 119.6° | 114.6° |
| C23 | N1 | H16 | 120.2° | 122.7° |
| N1 | C2 | C3 | 105.5° | 108.5° |
| C2 | N1 | H16 | 120.2° | 122.7° |
| N1 | C2 | H1 | 110.5° | 109.6° |
| N1 | C2 | H2 | 110.5° | 109.6° |
| C2 | C3 | C4 | 108.6° | 109.5° |
| C3 | C2 | H1 | 110.4° | 109.6° |
| C3 | C2 | H2 | 110.4° | 109.6° |
| C2 | C3 | H3 | 109.7° | 109.5° |
| C2 | C3 | H4 | 109.7° | 109.5° |
| N3 | C15 | O3 | 120.6° | 120.5° |
| N3 | C15 | C14 | 114.3° | 119.0° |
| C15 | N3 | H28 | 120.1° | 121.9° |
| O3 | C15 | C14 | 125.2° | 120.5° |
| C3 | C4 | C5 | 114.8° | 109.5° |
| C4 | C3 | H3 | 109.7° | 109.4° |
| C4 | C3 | H4 | 109.7° | 109.5° |
| C3 | C4 | H5 | 108.1° | 109.5° |
| C3 | C4 | H6 | 108.1° | 109.5° |
| C15 | C14 | C16 | 109.7° | 109.5° |
| C15 | C14 | N2 | 109.5° | 109.5° |
| C15 | C14 | H18 | 108.8° | 109.5° |
| C14 | C16 | C17 | 112.3° | 109.5° |
| C16 | C14 | N2 | 109.6° | 109.5° |
| C16 | C14 | H18 | 109.1° | 109.5° |
| C14 | C16 | H19 | 108.7° | 109.5° |
| C14 | C16 | H20 | 108.7° | 109.5° |
| C16 | C17 | C18 | 109.9° | 109.5° |
| C16 | C17 | C19 | 114.6° | 109.5° |
| C17 | C16 | H19 | 108.8° | 109.5° |
| C17 | C16 | H20 | 108.8° | 109.5° |
| C16 | C17 | H21 | 106.7° | 109.5° |
| C14 | N2 | C1 | 117.6° | 120.0° |
| C14 | N2 | H17 | 121.2° | 120.0° |
| N2 | C14 | H18 | 110.1° | 109.5° |
| C4 | C5 | C6 | 108.3° | 109.8° |
| C5 | C4 | H5 | 108.1° | 109.5° |
| C5 | C4 | H6 | 108.1° | 109.5° |
| C4 | C5 | H7 | 109.8° | 109.5° |
| C4 | C5 | H8 | 109.8° | 109.5° |
| C18 | C17 | C19 | 111.6° | 109.5° |
| C18 | C17 | H21 | 106.7° | 109.4° |
| C17 | C18 | H22 | 109.5° | 109.4° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| C5 | C6 | C7 | 109.0° | 109.8° |
| C6 | C5 | H7 | 109.8° | 109.5° |
| C6 | C5 | H8 | 109.8° | 109.2° |
| C5 | C6 | H9 | 109.6° | 109.4° |
| C5 | C6 | H10 | 109.6° | 109.5° |
| N2 | C1 | O1 | 121.3° | 120.0° |
| N2 | C1 | O2 | 113.2° | 120.0° |
| C1 | N2 | H17 | 121.2° | 119.9° |
| C19 | C17 | H21 | 106.8° | 109.5° |
| C17 | C19 | H25 | 109.5° | 109.5° |
| C17 | C19 | H26 | 109.5° | 109.4° |
| C17 | C19 | H27 | 109.5° | 109.5° |
| O1 | C1 | O2 | 125.4° | 120.0° |
| C1 | O2 | C7 | 116.9° | 117.0° |
| O2 | C7 | C6 | 107.4° | 109.5° |
| O2 | C7 | C8 | 109.8° | 109.5° |
| O2 | C7 | H11 | 109.8° | 109.5° |
| C6 | C7 | C8 | 113.2° | 109.5° |
| C7 | C6 | H9 | 109.6° | 109.3° |
| C7 | C6 | H10 | 109.6° | 109.3° |
| C6 | C7 | H11 | 108.3° | 109.5° |
| C7 | C8 | C13 | 116.5° | 120.0° |
| C7 | C8 | C9 | 122.6° | 120.0° |
| C8 | C7 | H11 | 108.3° | 109.4° |
| C13 | C8 | C9 | 120.9° | 120.0° |
| C8 | C13 | C12 | 119.4° | 120.0° |
| C8 | C13 | H15 | 120.3° | 120.0° |
| C8 | C9 | C10 | 119.5° | 120.0° |
| C8 | C9 | H12 | 120.3° | 120.0° |
| C13 | C12 | CL1 | 117.1° | 120.0° |
| C13 | C12 | C11 | 121.0° | 120.0° |
| C12 | C13 | H15 | 120.3° | 120.1° |
| C9 | C10 | C11 | 119.7° | 120.0° |
| C10 | C9 | H12 | 120.2° | 120.0° |
| C9 | C10 | H13 | 120.2° | 120.0° |
| CL1 | C12 | C11 | 121.9° | 120.0° |
| C12 | C11 | C10 | 119.6° | 120.0° |
| C12 | C11 | H14 | 120.2° | 119.9° |
| C11 | C10 | H13 | 120.2° | 120.0° |
| C10 | C11 | H14 | 120.2° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.8° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H24 | 109.4° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H27 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.4° | 109.4° |
| H34 | C24 | H35 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.4° | 109.5° |
| H32 | C22 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C24 | C20 | H34 | 119.6° | 119.9° |
| O5 | C24 | C20 | H35 | 119.6° | 120.0° |
| O5 | C24 | C20 | C21 | 173.4° | 175.0° |
| O5 | C24 | C20 | N3 | 66.0° | 65.7° |
| O5 | C24 | C20 | H29 | 53.2° | 54.6° |
| O5 | C24 | H34 | H35 | 121.2° | 120.0° |
| C24 | C20 | C21 | N3 | 119.5° | 119.7° |
| C24 | C20 | C21 | H29 | 120.1° | 120.5° |
| C24 | C20 | N3 | H29 | 118.5° | 120.4° |
| C24 | C20 | C21 | C22 | 180.0° | 129.7° |
| C24 | C20 | N3 | C15 | 129.3° | 104.2° |
| C24 | C20 | N3 | H28 | 50.7° | 75.9° |
| C20 | C24 | H34 | H35 | 121.2° | 120.1° |
| C24 | C20 | C21 | H30 | 59.5° | 110.4° |
| C24 | C20 | C21 | H31 | 59.5° | 9.6° |
| C20 | C24 | O5 | H36 | 180.0° | 180.0° |
| O4 | C23 | C22 | C21 | 7.9° | 8.1° |
| O4 | C23 | C22 | N1 | 179.9° | 180.0° |
| O4 | C23 | N1 | C2 | 1.7° | 0.1° |
| O4 | C23 | N1 | H16 | 178.3° | 180.0° |
| O4 | C23 | C22 | H32 | 112.7° | 128.1° |
| O4 | C23 | C22 | H33 | 128.4° | 111.9° |
| C21 | C20 | N3 | H29 | 119.8° | 119.8° |
| C20 | C21 | C22 | H30 | 120.5° | 119.9° |
| C20 | C21 | C22 | H31 | 120.5° | 120.0° |
| C20 | C21 | C22 | C23 | 74.0° | 123.2° |
| C21 | C20 | N3 | C15 | 109.0° | 136.1° |
| C21 | C20 | N3 | H28 | 71.0° | 43.8° |
| C21 | C20 | C24 | H34 | 67.0° | 55.1° |
| C21 | C20 | C24 | H35 | 53.8° | 65.0° |
| C20 | C21 | H30 | H31 | 118.5° | 120.0° |
| C20 | C21 | C22 | H32 | 46.6° | 116.8° |
| C20 | C21 | C22 | H33 | 165.5° | 3.2° |
| N3 | C20 | C21 | C22 | 60.4° | 110.6° |
| C20 | N3 | C15 | H28 | 180.0° | 179.9° |
| C20 | N3 | C15 | O3 | 0.6° | 0.1° |
| C20 | N3 | C15 | C14 | 179.6° | 179.8° |
| N3 | C20 | C24 | H34 | 53.6° | 174.3° |
| N3 | C20 | C24 | H35 | 174.5° | 54.3° |
| N3 | C20 | C21 | H30 | 60.1° | 9.3° |
| N3 | C20 | C21 | H31 | 179.1° | 129.4° |
| C21 | C22 | C23 | H32 | 120.6° | 120.0° |
| C21 | C22 | C23 | H33 | 120.5° | 120.0° |
| C21 | C22 | C23 | N1 | 172.2° | 171.8° |
| C22 | C21 | C20 | H29 | 60.0° | 9.2° |
| C22 | C21 | H30 | H31 | 118.5° | 120.0° |
| C21 | C22 | H32 | H33 | 118.3° | 120.0° |
| C22 | C23 | N1 | C2 | 178.2° | 179.9° |
| C22 | C23 | N1 | H16 | 1.8° | 0.1° |
| C23 | C22 | C21 | H30 | 165.6° | 3.3° |
| C23 | C22 | C21 | H31 | 46.6° | 116.8° |
| C23 | C22 | H32 | H33 | 118.3° | 120.0° |
| C23 | N1 | C2 | H16 | 180.0° | 180.0° |
| C23 | N1 | C2 | C3 | 95.5° | 107.3° |
| C23 | N1 | C2 | H1 | 145.1° | 12.4° |
| C23 | N1 | C2 | H2 | 23.8° | 133.1° |
| N1 | C23 | C22 | H32 | 67.2° | 51.9° |
| N1 | C23 | C22 | H33 | 51.7° | 68.2° |
| N1 | C2 | C3 | H1 | 119.4° | 119.7° |
| N1 | C2 | C3 | H2 | 119.4° | 119.7° |
| N1 | C2 | C3 | C4 | 61.5° | 115.0° |
| N1 | C2 | H1 | H2 | 121.9° | 120.5° |
| N1 | C2 | C3 | H3 | 178.7° | 125.0° |
| N1 | C2 | C3 | H4 | 58.4° | 5.0° |
| C2 | C3 | C4 | H3 | 119.9° | 120.0° |
| C2 | C3 | C4 | H4 | 119.9° | 120.1° |
| C2 | C3 | C4 | C5 | 168.1° | 145.3° |
| C3 | C2 | N1 | H16 | 84.5° | 72.7° |
| C3 | C2 | H1 | H2 | 121.8° | 120.5° |
| C2 | C3 | H3 | H4 | 120.4° | 120.0° |
| C2 | C3 | C4 | H5 | 47.3° | 25.3° |
| C2 | C3 | C4 | H6 | 71.1° | 94.7° |
| N3 | C15 | O3 | C14 | 179.8° | 179.9° |
| N3 | C15 | C14 | C16 | 95.4° | 100.3° |
| N3 | C15 | C14 | N2 | 144.3° | 139.7° |
| N3 | C15 | C14 | H18 | 23.8° | 19.6° |
| C15 | N3 | C20 | H29 | 10.8° | 16.2° |
| O3 | C15 | C14 | C16 | 84.4° | 79.6° |
| O3 | C15 | C14 | N2 | 35.9° | 40.4° |
| O3 | C15 | C14 | H18 | 156.4° | 160.4° |
| O3 | C15 | N3 | H28 | 179.5° | 179.8° |
| C3 | C4 | C5 | H5 | 120.8° | 120.0° |
| C3 | C4 | C5 | H6 | 120.8° | 120.0° |
| C3 | C4 | C5 | C6 | 170.0° | 101.7° |
| C4 | C3 | C2 | H1 | 57.9° | 4.7° |
| C4 | C3 | C2 | H2 | 179.2° | 125.3° |
| C4 | C3 | H3 | H4 | 120.4° | 120.0° |
| C3 | C4 | H5 | H6 | 117.6° | 120.0° |
| C3 | C4 | C5 | H7 | 70.2° | 138.1° |
| C3 | C4 | C5 | H8 | 50.1° | 18.2° |
| C15 | C14 | C16 | N2 | 120.3° | 120.0° |
| C15 | C14 | C16 | H18 | 119.1° | 120.0° |
| C15 | C14 | C16 | C17 | 178.8° | 176.3° |
| C15 | C14 | N2 | H18 | 119.6° | 120.0° |
| C15 | C14 | N2 | C1 | 59.5° | 61.4° |
| C15 | C14 | N2 | H17 | 120.5° | 118.7° |
| C15 | C14 | C16 | H19 | 60.8° | 63.7° |
| C15 | C14 | C16 | H20 | 58.4° | 56.3° |
| C14 | C15 | N3 | H28 | 0.4° | 0.3° |
| C14 | C16 | C17 | H19 | 120.4° | 120.1° |
| C14 | C16 | C17 | H20 | 120.4° | 120.0° |
| C16 | C14 | N2 | H18 | 120.1° | 120.0° |
| C14 | C16 | C17 | C18 | 173.9° | 174.1° |
| C16 | C14 | N2 | C1 | 179.9° | 178.6° |
| C14 | C16 | C17 | C19 | 59.5° | 65.8° |
| C16 | C14 | N2 | H17 | 0.1° | 1.2° |
| C14 | C16 | H19 | H20 | 118.7° | 120.0° |
| C14 | C16 | C17 | H21 | 58.5° | 54.2° |
| C17 | C16 | C14 | N2 | 60.9° | 63.7° |
| C16 | C17 | C18 | C19 | 128.2° | 120.0° |
| C16 | C17 | C18 | H21 | 115.4° | 120.0° |
| C16 | C17 | C19 | H21 | 118.0° | 120.0° |
| C17 | C16 | C14 | H18 | 59.7° | 56.3° |
| C17 | C16 | H19 | H20 | 118.7° | 120.0° |
| C16 | C17 | C18 | H22 | 180.0° | 56.4° |
| C16 | C17 | C18 | H23 | 60.0° | 176.4° |
| C16 | C17 | C18 | H24 | 60.0° | 63.6° |
| C16 | C17 | C19 | H25 | 180.0° | 60.0° |
| C16 | C17 | C19 | H26 | 60.0° | 180.0° |
| C16 | C17 | C19 | H27 | 60.0° | 60.1° |
| C14 | N2 | C1 | H17 | 180.0° | 179.9° |
| C14 | N2 | C1 | O1 | 16.2° | 43.9° |
| C14 | N2 | C1 | O2 | 163.1° | 136.5° |
| N2 | C14 | C16 | H19 | 59.5° | 56.3° |
| N2 | C14 | C16 | H20 | 178.6° | 176.2° |
| C4 | C5 | C6 | H7 | 119.8° | 120.2° |
| C4 | C5 | C6 | H8 | 119.8° | 120.0° |
| C4 | C5 | C6 | C7 | 70.3° | 152.2° |
| C5 | C4 | C3 | H3 | 72.1° | 94.7° |
| C5 | C4 | C3 | H4 | 48.2° | 25.2° |
| C5 | C4 | H5 | H6 | 117.6° | 120.0° |
| C4 | C5 | H7 | H8 | 120.5° | 120.0° |
| C4 | C5 | C6 | H9 | 49.6° | 87.8° |
| C4 | C5 | C6 | H10 | 169.7° | 32.2° |
| C18 | C17 | C19 | H21 | 116.3° | 120.0° |
| C18 | C17 | C16 | H19 | 53.4° | 54.1° |
| C18 | C17 | C16 | H20 | 65.7° | 65.9° |
| C17 | C18 | H22 | H23 | 120.0° | 120.0° |
| C17 | C18 | H22 | H24 | 120.0° | 120.0° |
| C17 | C18 | H23 | H24 | 120.0° | 120.0° |
| C18 | C17 | C19 | H25 | 54.3° | 180.0° |
| C18 | C17 | C19 | H26 | 65.7° | 60.0° |
| C18 | C17 | C19 | H27 | 174.3° | 60.0° |
| C5 | C6 | C7 | O2 | 56.5° | 176.4° |
| C5 | C6 | C7 | H9 | 119.9° | 120.1° |
| C5 | C6 | C7 | H10 | 119.9° | 120.1° |
| C5 | C6 | C7 | C8 | 177.8° | 63.6° |
| C6 | C5 | C4 | H5 | 49.2° | 18.3° |
| C6 | C5 | C4 | H6 | 69.3° | 138.3° |
| C6 | C5 | H7 | H8 | 120.5° | 119.6° |
| C5 | C6 | H9 | H10 | 120.2° | 120.0° |
| C5 | C6 | C7 | H11 | 62.0° | 56.3° |
| N2 | C1 | O1 | O2 | 179.2° | 179.7° |
| N2 | C1 | O2 | C7 | 172.9° | 179.5° |
| C1 | N2 | C14 | H18 | 60.1° | 58.6° |
| C19 | C17 | C16 | H19 | 180.0° | 174.1° |
| C19 | C17 | C16 | H20 | 60.9° | 54.2° |
| C19 | C17 | C18 | H22 | 51.7° | 63.6° |
| C19 | C17 | C18 | H23 | 171.8° | 56.4° |
| C19 | C17 | C18 | H24 | 68.2° | 176.4° |
| C17 | C19 | H25 | H26 | 120.0° | 120.0° |
| C17 | C19 | H25 | H27 | 120.0° | 120.0° |
| C17 | C19 | H26 | H27 | 120.0° | 120.0° |
| O1 | C1 | O2 | C7 | 7.8° | 0.1° |
| O1 | C1 | N2 | H17 | 163.8° | 136.2° |
| C1 | O2 | C7 | C6 | 151.0° | 21.6° |
| C1 | O2 | C7 | C8 | 85.6° | 98.4° |
| C1 | O2 | C7 | H11 | 33.4° | 141.6° |
| O2 | C1 | N2 | H17 | 17.0° | 43.4° |
| O2 | C7 | C6 | C8 | 121.3° | 120.0° |
| O2 | C7 | C6 | H11 | 118.6° | 120.0° |
| O2 | C7 | C8 | H11 | 119.9° | 120.0° |
| O2 | C7 | C8 | C13 | 107.2° | 145.0° |
| O2 | C7 | C8 | C9 | 73.5° | 34.7° |
| O2 | C7 | C6 | H9 | 176.5° | 63.6° |
| O2 | C7 | C6 | H10 | 63.4° | 56.3° |
| C6 | C7 | C8 | H11 | 120.1° | 120.0° |
| C6 | C7 | C8 | C13 | 132.8° | 95.0° |
| C6 | C7 | C8 | C9 | 46.4° | 85.3° |
| C7 | C6 | C5 | H7 | 169.9° | 32.0° |
| C7 | C6 | C5 | H8 | 49.5° | 87.8° |
| C7 | C6 | H9 | H10 | 120.3° | 119.7° |
| C7 | C8 | C13 | C9 | 179.3° | 179.7° |
| C7 | C8 | C13 | C12 | 179.8° | 179.8° |
| C7 | C8 | C9 | C10 | 179.6° | 180.0° |
| C8 | C7 | C6 | H9 | 62.2° | 56.4° |
| C8 | C7 | C6 | H10 | 57.9° | 176.3° |
| C7 | C8 | C9 | H12 | 0.4° | 0.1° |
| C7 | C8 | C13 | H15 | 0.2° | 0.0° |
| C8 | C13 | C12 | H15 | 180.0° | 179.7° |
| C13 | C8 | C9 | C10 | 0.3° | 0.3° |
| C8 | C13 | C12 | CL1 | 179.7° | 179.7° |
| C8 | C13 | C12 | C11 | 0.5° | 0.5° |
| C13 | C8 | C7 | H11 | 12.7° | 25.0° |
| C13 | C8 | C9 | H12 | 179.7° | 179.7° |
| C9 | C8 | C13 | C12 | 0.5° | 0.6° |
| C8 | C9 | C10 | H12 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C7 | H11 | 166.6° | 154.7° |
| C8 | C9 | C10 | H13 | 179.9° | 180.0° |
| C9 | C8 | C13 | H15 | 179.5° | 179.7° |
| C13 | C12 | CL1 | C11 | 179.7° | 179.8° |
| C13 | C12 | C11 | C10 | 0.3° | 0.2° |
| C13 | C12 | C11 | H14 | 179.7° | 179.7° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C9 | C10 | C11 | H13 | 180.0° | 179.9° |
| C9 | C10 | C11 | H14 | 179.9° | 180.0° |
| CL1 | C12 | C11 | C10 | 180.0° | 179.9° |
| CL1 | C12 | C11 | H14 | 0.0° | 0.0° |
| CL1 | C12 | C13 | H15 | 0.3° | 0.0° |
| C12 | C11 | C10 | H14 | 180.0° | 179.9° |
| C12 | C11 | C10 | H13 | 179.9° | 180.0° |
| C11 | C12 | C13 | H15 | 179.5° | 179.8° |
| C11 | C10 | C9 | H12 | 179.9° | 180.0° |
| H16 | N1 | C2 | H1 | 34.9° | 167.6° |
| H16 | N1 | C2 | H2 | 156.2° | 46.9° |
| H1 | C2 | C3 | H3 | 62.0° | 115.3° |
| H1 | C2 | C3 | H4 | 177.8° | 124.7° |
| H2 | C2 | C3 | H3 | 59.3° | 5.4° |
| H2 | C2 | C3 | H4 | 61.0° | 114.6° |
| H3 | C3 | C4 | H5 | 167.2° | 145.3° |
| H3 | C3 | C4 | H6 | 48.7° | 25.3° |
| H4 | C3 | C4 | H5 | 72.5° | 94.8° |
| H4 | C3 | C4 | H6 | 169.0° | 145.3° |
| H5 | C4 | C5 | H7 | 169.0° | 101.9° |
| H5 | C4 | C5 | H8 | 70.6° | 138.2° |
| H6 | C4 | C5 | H7 | 50.5° | 18.1° |
| H6 | C4 | C5 | H8 | 170.9° | 101.8° |
| H7 | C5 | C6 | H9 | 70.2° | 152.0° |
| H7 | C5 | C6 | H10 | 49.9° | 88.0° |
| H8 | C5 | C6 | H9 | 169.5° | 32.2° |
| H8 | C5 | C6 | H10 | 70.4° | 152.2° |
| H9 | C6 | C7 | H11 | 57.9° | 176.4° |
| H10 | C6 | C7 | H11 | 178.0° | 63.8° |
| H12 | C9 | C10 | H13 | 0.1° | 0.0° |
| H13 | C10 | C11 | H14 | 0.1° | 0.1° |
| H17 | N2 | C14 | H18 | 119.9° | 121.3° |
| H18 | C14 | C16 | H19 | 179.9° | 176.4° |
| H18 | C14 | C16 | H20 | 60.7° | 63.7° |
| H19 | C16 | C17 | H21 | 61.9° | 65.9° |
| H20 | C16 | C17 | H21 | 178.9° | 174.2° |
| H21 | C17 | C18 | H22 | 64.6° | 176.4° |
| H21 | C17 | C18 | H23 | 55.4° | 63.7° |
| H21 | C17 | C18 | H24 | 175.4° | 56.3° |
| H21 | C17 | C19 | H25 | 62.0° | 60.0° |
| H21 | C17 | C19 | H26 | 178.0° | 60.0° |
| H21 | C17 | C19 | H27 | 58.0° | 179.9° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
| H25 | C19 | H26 | H27 | 120.0° | 120.1° |
| H28 | N3 | C20 | H29 | 169.2° | 163.7° |
| H29 | C20 | C24 | H34 | 172.8° | 65.3° |
| H29 | C20 | C24 | H35 | 66.3° | 174.6° |
| H29 | C20 | C21 | H30 | 179.5° | 129.2° |
| H29 | C20 | C21 | H31 | 60.5° | 110.8° |
| H34 | C24 | O5 | H36 | 60.4° | 60.0° |
| H35 | C24 | O5 | H36 | 60.4° | 60.0° |
| H30 | C21 | C22 | H32 | 73.9° | 123.3° |
| H30 | C21 | C22 | H33 | 45.0° | 116.7° |
| H31 | C21 | C22 | H32 | 167.1° | 3.2° |
| H31 | C21 | C22 | H33 | 74.0° | 123.3° |
