PRD_002385
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.18Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | S1 | sing | 1.76Å | 1.66Å | Aromatic |
| C11 | N1 | sing | 1.35Å | 1.44Å | Aromatic |
| N2 | C4 | sing | 1.46Å | 1.44Å | |
| S1 | C7 | sing | 1.71Å | 1.68Å | Aromatic |
| N1 | C7 | doub | 1.28Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| O2 | C3 | doub | 1.21Å | 1.19Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| N3 | C14 | sing | 1.47Å | 1.44Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | O3 | doub | 1.21Å | 1.19Å | |
| C16 | N4 | sing | 1.47Å | 1.45Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| N4 | H18 | sing | 1.01Å | 1.00Å | |
| N4 | H19 | sing | 1.01Å | 1.00Å | |
| N5 | C17 | sing | 1.46Å | 1.46Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | O4 | doub | 1.21Å | 1.17Å | |
| N6 | C19 | sing | 1.47Å | 1.44Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.51Å | 1.55Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | O5 | sing | 1.34Å | 1.36Å | |
| C22 | O6 | doub | 1.21Å | 1.17Å | |
| O5 | C23 | sing | 1.45Å | 1.40Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | N2 | sing | 1.35Å | 1.44Å | |
| C3 | N3 | sing | 1.35Å | 1.45Å | |
| C15 | N5 | sing | 1.35Å | 1.44Å | |
| C18 | N6 | sing | 1.35Å | 1.45Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.7° | 120.0° |
| O1 | C1 | N2 | 119.3° | 119.9° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N2 | 120.0° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| C12 | C13 | C9 | 119.8° | 120.0° |
| C13 | C12 | C8 | 121.3° | 120.8° |
| C13 | C12 | H11 | 119.4° | 119.6° |
| C12 | C13 | H12 | 120.1° | 120.0° |
| C13 | C9 | C10 | 119.3° | 120.0° |
| C13 | C9 | H10 | 120.4° | 120.0° |
| C9 | C13 | H12 | 120.1° | 120.0° |
| C12 | C8 | C11 | 119.1° | 120.4° |
| C12 | C8 | H9 | 120.5° | 119.8° |
| C8 | C12 | H11 | 119.4° | 119.6° |
| C9 | C10 | C11 | 120.8° | 120.3° |
| C9 | C10 | S1 | 133.3° | 131.7° |
| C10 | C9 | H10 | 120.4° | 120.0° |
| C8 | C11 | C10 | 119.8° | 118.5° |
| C8 | C11 | N1 | 123.2° | 129.7° |
| C11 | C8 | H9 | 120.4° | 119.8° |
| C11 | C10 | S1 | 105.9° | 108.0° |
| C10 | C11 | N1 | 117.0° | 111.8° |
| C10 | S1 | C7 | 98.0° | 90.8° |
| C11 | N1 | C7 | 108.7° | 117.8° |
| N2 | C4 | C3 | 110.7° | 109.5° |
| N2 | C4 | C5 | 110.1° | 109.4° |
| N2 | C4 | H4 | 110.3° | 109.5° |
| C4 | N2 | H13 | 120.5° | 120.0° |
| C4 | N2 | C1 | 118.9° | 120.1° |
| S1 | C7 | N1 | 110.5° | 111.6° |
| S1 | C7 | C6 | 124.4° | 124.2° |
| N1 | C7 | C6 | 125.2° | 124.2° |
| C7 | C6 | C5 | 109.1° | 109.5° |
| C7 | C6 | H7 | 109.5° | 109.5° |
| C7 | C6 | H8 | 109.6° | 109.5° |
| C3 | C4 | C5 | 107.3° | 109.5° |
| C4 | C3 | O2 | 121.7° | 120.0° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| C4 | C3 | N3 | 117.1° | 120.0° |
| C4 | C5 | C6 | 112.1° | 109.5° |
| C5 | C4 | H4 | 109.2° | 109.4° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C4 | C5 | H6 | 108.8° | 109.5° |
| O2 | C3 | N3 | 121.2° | 120.0° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| C6 | C5 | H6 | 108.8° | 109.4° |
| C5 | C6 | H7 | 109.6° | 109.5° |
| C5 | C6 | H8 | 109.6° | 109.4° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H13 | N2 | C1 | 120.6° | 120.0° |
| C14 | N3 | H14 | 119.9° | 120.0° |
| N3 | C14 | C15 | 101.9° | 109.5° |
| N3 | C14 | C16 | 110.2° | 109.5° |
| N3 | C14 | H15 | 111.9° | 109.4° |
| C14 | N3 | C3 | 120.1° | 120.0° |
| H14 | N3 | C3 | 120.0° | 120.0° |
| C15 | C14 | C16 | 111.1° | 109.5° |
| C15 | C14 | H15 | 110.8° | 109.5° |
| C14 | C15 | O3 | 121.1° | 120.0° |
| C14 | C15 | N5 | 119.9° | 120.0° |
| C16 | C14 | H15 | 110.6° | 109.5° |
| C14 | C16 | N4 | 109.4° | 109.5° |
| C14 | C16 | H16 | 109.5° | 109.5° |
| C14 | C16 | H17 | 109.5° | 109.5° |
| O3 | C15 | N5 | 118.9° | 120.0° |
| N4 | C16 | H16 | 109.5° | 109.5° |
| N4 | C16 | H17 | 109.5° | 109.4° |
| C16 | N4 | H18 | 109.5° | 111.0° |
| C16 | N4 | H19 | 109.4° | 111.1° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | N4 | H19 | 109.5° | 111.0° |
| C17 | N5 | H20 | 123.1° | 120.0° |
| N5 | C17 | C18 | 112.7° | 109.5° |
| N5 | C17 | H21 | 108.7° | 109.5° |
| N5 | C17 | H22 | 108.6° | 109.5° |
| C17 | N5 | C15 | 113.7° | 120.0° |
| H20 | N5 | C15 | 123.1° | 120.0° |
| C18 | C17 | H21 | 108.7° | 109.5° |
| C18 | C17 | H22 | 108.6° | 109.4° |
| C17 | C18 | O4 | 121.6° | 120.0° |
| C17 | C18 | N6 | 124.5° | 120.0° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| O4 | C18 | N6 | 114.0° | 120.0° |
| C19 | N6 | H23 | 121.1° | 119.9° |
| N6 | C19 | C20 | 111.9° | 109.5° |
| N6 | C19 | H24 | 108.9° | 109.5° |
| N6 | C19 | H25 | 108.8° | 109.4° |
| C19 | N6 | C18 | 117.9° | 120.0° |
| H23 | N6 | C18 | 121.0° | 120.0° |
| C20 | C19 | H24 | 108.9° | 109.5° |
| C20 | C19 | H25 | 108.9° | 109.5° |
| C19 | C20 | C21 | 132.6° | 109.5° |
| C19 | C20 | H26 | 103.4° | 109.5° |
| C19 | C20 | H27 | 103.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| C21 | C20 | H26 | 103.4° | 109.5° |
| C21 | C20 | H27 | 103.4° | 109.5° |
| C20 | C21 | C22 | 128.3° | 109.5° |
| C20 | C21 | H28 | 104.6° | 109.4° |
| C20 | C21 | H29 | 104.6° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.4° |
| C22 | C21 | H28 | 104.6° | 109.5° |
| C22 | C21 | H29 | 104.6° | 109.5° |
| C21 | C22 | O5 | 120.8° | 120.0° |
| C21 | C22 | O6 | 128.3° | 120.0° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| O5 | C22 | O6 | 110.8° | 120.0° |
| C22 | O5 | C23 | 116.0° | 117.0° |
| O5 | C23 | H30 | 109.5° | 109.5° |
| O5 | C23 | H31 | 109.5° | 109.5° |
| O5 | C23 | H32 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | H32 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N2 | 179.8° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N2 | C4 | 179.4° | 0.0° |
| O1 | C1 | N2 | H13 | 0.6° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | H1 | H3 | 120.0° | 119.9° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N2 | C4 | 0.7° | 179.7° |
| C2 | C1 | N2 | H13 | 179.3° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N2 | 179.8° | 179.8° |
| H2 | C2 | C1 | N2 | 60.1° | 59.7° |
| H3 | C2 | C1 | N2 | 59.8° | 60.3° |
| C12 | C13 | C9 | H12 | 180.0° | 179.9° |
| C13 | C12 | C8 | H11 | 180.0° | 180.0° |
| C12 | C13 | C9 | C10 | 0.0° | 0.1° |
| C13 | C12 | C8 | C11 | 0.1° | 0.0° |
| C13 | C12 | C8 | H9 | 179.9° | 179.9° |
| C12 | C13 | C9 | H10 | 180.0° | 180.0° |
| C9 | C13 | C12 | C8 | 0.1° | 0.0° |
| C13 | C9 | C10 | H10 | 180.0° | 179.9° |
| C13 | C9 | C10 | C11 | 0.1° | 0.0° |
| C13 | C9 | C10 | S1 | 180.0° | 179.9° |
| C9 | C13 | C12 | H11 | 179.9° | 179.9° |
| C12 | C8 | C11 | H9 | 180.0° | 179.9° |
| C12 | C8 | C11 | C10 | 0.0° | 0.1° |
| C12 | C8 | C11 | N1 | 180.0° | 180.0° |
| C8 | C12 | C13 | H12 | 179.9° | 179.9° |
| C9 | C10 | C11 | C8 | 0.1° | 0.1° |
| C9 | C10 | C11 | S1 | 179.9° | 179.9° |
| C9 | C10 | C11 | N1 | 179.9° | 180.0° |
| C9 | C10 | S1 | C7 | 179.6° | 179.9° |
| C10 | C9 | C13 | H12 | 180.0° | 180.0° |
| C8 | C11 | C10 | N1 | 180.0° | 179.9° |
| C8 | C11 | C10 | S1 | 180.0° | 179.9° |
| C8 | C11 | N1 | C7 | 179.6° | 180.0° |
| C11 | C8 | C12 | H11 | 179.9° | 180.0° |
| C11 | C10 | S1 | C7 | 0.3° | 0.2° |
| C10 | C11 | N1 | C7 | 0.4° | 0.1° |
| C10 | C11 | C8 | H9 | 180.0° | 180.0° |
| C11 | C10 | C9 | H10 | 179.9° | 179.9° |
| S1 | C10 | C11 | N1 | 0.0° | 0.1° |
| C10 | S1 | C7 | N1 | 0.5° | 0.2° |
| C10 | S1 | C7 | C6 | 179.1° | 180.0° |
| S1 | C10 | C9 | H10 | 0.0° | 0.1° |
| C11 | N1 | C7 | S1 | 0.6° | 0.2° |
| C11 | N1 | C7 | C6 | 179.2° | 180.0° |
| N1 | C11 | C8 | H9 | 0.1° | 0.1° |
| N2 | C4 | C3 | C5 | 120.2° | 120.0° |
| N2 | C4 | C3 | H4 | 121.6° | 120.1° |
| N2 | C4 | C5 | H4 | 121.2° | 120.0° |
| N2 | C4 | C3 | O2 | 40.8° | 20.0° |
| N2 | C4 | C5 | C6 | 96.4° | 65.0° |
| N2 | C4 | C5 | H5 | 24.0° | 55.0° |
| N2 | C4 | C5 | H6 | 143.2° | 175.0° |
| C4 | N2 | H13 | C1 | 180.0° | 180.0° |
| N2 | C4 | C3 | N3 | 139.7° | 160.0° |
| S1 | C7 | N1 | C6 | 178.6° | 179.8° |
| S1 | C7 | C6 | C5 | 108.0° | 90.3° |
| S1 | C7 | C6 | H7 | 11.9° | 149.7° |
| S1 | C7 | C6 | H8 | 132.0° | 29.7° |
| N1 | C7 | C6 | C5 | 70.4° | 90.0° |
| N1 | C7 | C6 | H7 | 169.7° | 30.0° |
| N1 | C7 | C6 | H8 | 49.6° | 150.0° |
| C7 | C6 | C5 | C4 | 68.9° | 180.0° |
| C7 | C6 | C5 | H7 | 119.9° | 120.1° |
| C7 | C6 | C5 | H8 | 119.9° | 120.0° |
| C7 | C6 | C5 | H5 | 51.5° | 59.9° |
| C7 | C6 | C5 | H6 | 170.7° | 60.0° |
| C7 | C6 | H7 | H8 | 120.2° | 120.0° |
| C3 | C4 | C5 | H4 | 118.2° | 120.0° |
| C4 | C3 | O2 | N3 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 143.0° | 175.0° |
| C3 | C4 | C5 | H5 | 96.6° | 65.0° |
| C3 | C4 | C5 | H6 | 22.6° | 55.0° |
| C3 | C4 | N2 | H13 | 84.6° | 120.0° |
| C4 | C3 | N3 | C14 | 179.2° | 179.9° |
| C4 | C3 | N3 | H14 | 0.8° | 0.1° |
| C3 | C4 | N2 | C1 | 95.4° | 60.0° |
| C5 | C4 | C3 | O2 | 79.4° | 100.0° |
| C4 | C5 | C6 | H5 | 120.4° | 120.1° |
| C4 | C5 | C6 | H6 | 120.4° | 120.0° |
| C4 | C5 | H5 | H6 | 118.8° | 120.0° |
| C4 | C5 | C6 | H7 | 51.0° | 59.9° |
| C4 | C5 | C6 | H8 | 171.1° | 60.0° |
| C5 | C4 | N2 | H13 | 34.0° | 120.0° |
| C5 | C4 | N2 | C1 | 146.1° | 60.0° |
| C5 | C4 | C3 | N3 | 100.1° | 80.0° |
| O2 | C3 | C4 | H4 | 162.4° | 140.0° |
| O2 | C3 | N3 | C14 | 0.2° | 0.0° |
| O2 | C3 | N3 | H14 | 179.8° | 179.9° |
| C6 | C5 | C4 | H4 | 24.7° | 55.0° |
| C6 | C5 | H5 | H6 | 118.8° | 119.9° |
| C5 | C6 | H7 | H8 | 120.2° | 119.9° |
| H4 | C4 | C5 | H5 | 145.2° | 175.0° |
| H4 | C4 | C5 | H6 | 95.7° | 65.0° |
| H4 | C4 | N2 | H13 | 154.5° | 0.1° |
| H4 | C4 | N2 | C1 | 25.5° | 179.9° |
| H4 | C4 | C3 | N3 | 18.1° | 40.0° |
| H5 | C5 | C6 | H7 | 171.4° | NaN° |
| H5 | C5 | C6 | H8 | 68.5° | 60.1° |
| H6 | C5 | C6 | H7 | 69.4° | 60.1° |
| H6 | C5 | C6 | H8 | 50.8° | 180.0° |
| H9 | C8 | C12 | H11 | 0.1° | 0.1° |
| H10 | C9 | C13 | H12 | 0.0° | 0.1° |
| H11 | C12 | C13 | H12 | 0.1° | 0.0° |
| C14 | N3 | H14 | C3 | 180.0° | 179.9° |
| N3 | C14 | C15 | C16 | 117.4° | 120.0° |
| N3 | C14 | C15 | H15 | 119.2° | 119.9° |
| N3 | C14 | C16 | H15 | 124.3° | 120.0° |
| N3 | C14 | C15 | O3 | 98.5° | 0.1° |
| N3 | C14 | C16 | N4 | 33.7° | 55.0° |
| N3 | C14 | C16 | H16 | 86.2° | 65.0° |
| N3 | C14 | C16 | H17 | 153.7° | 174.9° |
| N3 | C14 | C15 | N5 | 80.9° | 180.0° |
| H14 | N3 | C14 | C15 | 57.0° | 25.1° |
| H14 | N3 | C14 | C16 | 61.1° | 94.9° |
| H14 | N3 | C14 | H15 | 175.3° | 145.1° |
| C15 | C14 | C16 | H15 | 123.5° | 120.0° |
| C14 | C15 | O3 | N5 | 179.5° | 179.9° |
| C15 | C14 | C16 | N4 | 145.9° | 175.0° |
| C15 | C14 | C16 | H16 | 26.0° | 55.0° |
| C15 | C14 | C16 | H17 | 94.1° | 65.0° |
| C14 | C15 | N5 | C17 | 178.9° | 179.9° |
| C14 | C15 | N5 | H20 | 1.1° | 0.0° |
| C15 | C14 | N3 | C3 | 123.0° | 155.0° |
| C16 | C14 | C15 | O3 | 18.9° | 119.9° |
| C14 | C16 | N4 | H16 | 120.0° | 120.0° |
| C14 | C16 | N4 | H17 | 120.0° | 120.0° |
| C14 | C16 | H16 | H17 | 120.0° | 120.0° |
| C14 | C16 | N4 | H18 | 180.0° | 56.1° |
| C14 | C16 | N4 | H19 | 60.0° | 179.9° |
| C16 | C14 | N3 | C3 | 118.9° | 85.0° |
| C16 | C14 | C15 | N5 | 161.7° | 60.0° |
| H15 | C14 | C15 | O3 | 142.3° | 120.0° |
| H15 | C14 | C16 | N4 | 90.6° | 65.0° |
| H15 | C14 | C16 | H16 | 149.5° | 175.0° |
| H15 | C14 | C16 | H17 | 29.4° | 55.0° |
| H15 | C14 | N3 | C3 | 4.7° | 35.0° |
| H15 | C14 | C15 | N5 | 38.2° | 60.1° |
| O3 | C15 | N5 | C17 | 0.6° | 0.0° |
| O3 | C15 | N5 | H20 | 179.4° | 180.0° |
| N4 | C16 | H16 | H17 | 120.1° | 120.0° |
| C16 | N4 | H18 | H19 | 120.0° | 124.0° |
| H16 | C16 | N4 | H18 | 60.0° | 64.0° |
| H16 | C16 | N4 | H19 | 180.0° | 60.0° |
| H17 | C16 | N4 | H18 | 60.0° | 176.0° |
| H17 | C16 | N4 | H19 | 60.0° | 60.0° |
| C17 | N5 | H20 | C15 | 180.0° | 180.0° |
| N5 | C17 | C18 | H21 | 120.5° | 120.0° |
| N5 | C17 | C18 | H22 | 120.5° | 120.0° |
| N5 | C17 | H21 | H22 | 118.5° | 120.0° |
| N5 | C17 | C18 | O4 | 3.9° | 0.1° |
| N5 | C17 | C18 | N6 | 177.3° | 180.0° |
| H20 | N5 | C17 | C18 | 58.9° | 0.1° |
| H20 | N5 | C17 | H21 | 179.4° | 120.0° |
| H20 | N5 | C17 | H22 | 61.6° | 120.0° |
| C18 | C17 | H21 | H22 | 118.5° | 120.0° |
| C17 | C18 | O4 | N6 | 179.0° | 179.9° |
| C17 | C18 | N6 | C19 | 177.9° | 180.0° |
| C17 | C18 | N6 | H23 | 2.1° | 0.1° |
| C18 | C17 | N5 | C15 | 121.1° | 180.0° |
| H21 | C17 | C18 | O4 | 124.4° | 120.0° |
| H21 | C17 | N5 | C15 | 0.6° | 60.0° |
| H21 | C17 | C18 | N6 | 56.8° | 60.0° |
| H22 | C17 | C18 | O4 | 116.6° | 120.0° |
| H22 | C17 | N5 | C15 | 118.4° | 60.0° |
| H22 | C17 | C18 | N6 | 62.3° | 60.0° |
| O4 | C18 | N6 | C19 | 3.2° | 0.1° |
| O4 | C18 | N6 | H23 | 176.9° | 180.0° |
| C19 | N6 | H23 | C18 | 180.0° | 179.9° |
| N6 | C19 | C20 | H24 | 120.4° | 120.0° |
| N6 | C19 | C20 | H25 | 120.3° | 119.9° |
| N6 | C19 | H24 | H25 | 118.9° | 119.9° |
| N6 | C19 | C20 | C21 | 78.5° | 180.0° |
| N6 | C19 | C20 | H26 | 44.4° | 59.9° |
| N6 | C19 | C20 | H27 | 158.5° | 60.0° |
| H23 | N6 | C19 | C20 | 31.1° | 0.1° |
| H23 | N6 | C19 | H24 | 151.5° | 120.0° |
| H23 | N6 | C19 | H25 | 89.3° | 120.0° |
| C20 | C19 | H24 | H25 | 118.9° | 120.0° |
| C19 | C20 | C21 | H26 | 122.9° | 120.1° |
| C19 | C20 | C21 | H27 | 123.0° | 120.0° |
| C19 | C20 | H26 | H27 | 109.7° | 120.0° |
| C19 | C20 | C21 | C22 | 2.8° | 180.0° |
| C19 | C20 | C21 | H28 | 119.7° | 60.0° |
| C19 | C20 | C21 | H29 | 125.3° | 60.0° |
| C20 | C19 | N6 | C18 | 148.9° | 180.0° |
| H24 | C19 | C20 | C21 | 161.1° | 60.0° |
| H24 | C19 | C20 | H26 | 76.0° | 179.9° |
| H24 | C19 | C20 | H27 | 38.1° | 60.0° |
| H24 | C19 | N6 | C18 | 28.5° | 59.9° |
| H25 | C19 | C20 | C21 | 41.8° | 60.0° |
| H25 | C19 | C20 | H26 | 164.7° | 60.0° |
| H25 | C19 | C20 | H27 | 81.1° | 180.0° |
| H25 | C19 | N6 | C18 | 90.7° | 60.0° |
| C21 | C20 | H26 | H27 | 109.7° | 119.9° |
| C20 | C21 | C22 | H28 | 122.5° | 120.0° |
| C20 | C21 | C22 | H29 | 122.5° | 120.0° |
| C20 | C21 | H28 | H29 | 111.6° | 120.0° |
| C20 | C21 | C22 | O5 | 18.8° | 180.0° |
| C20 | C21 | C22 | O6 | 161.4° | 0.0° |
| H26 | C20 | C21 | C22 | 125.7° | 60.0° |
| H26 | C20 | C21 | H28 | 3.2° | 180.0° |
| H26 | C20 | C21 | H29 | 111.8° | 60.1° |
| H27 | C20 | C21 | C22 | 120.2° | 59.9° |
| H27 | C20 | C21 | H28 | 117.4° | 60.1° |
| H27 | C20 | C21 | H29 | 2.3° | 180.0° |
| C22 | C21 | H28 | H29 | 111.6° | 120.0° |
| C21 | C22 | O5 | O6 | 179.8° | 180.0° |
| C21 | C22 | O5 | C23 | 147.0° | 180.0° |
| H28 | C21 | C22 | O5 | 103.7° | 60.0° |
| H28 | C21 | C22 | O6 | 76.1° | 120.0° |
| H29 | C21 | C22 | O5 | 141.2° | 60.0° |
| H29 | C21 | C22 | O6 | 39.0° | 120.0° |
| C22 | O5 | C23 | H30 | 180.0° | 60.0° |
| C22 | O5 | C23 | H31 | 60.0° | 60.1° |
| C22 | O5 | C23 | H32 | 60.0° | 180.0° |
| O6 | C22 | O5 | C23 | 32.8° | 0.1° |
| O5 | C23 | H30 | H31 | 120.0° | 120.0° |
| O5 | C23 | H30 | H32 | 120.0° | 120.0° |
| O5 | C23 | H31 | H32 | 120.0° | 120.0° |
| H30 | C23 | H31 | H32 | 120.0° | 120.0° |
