PRD_000240
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.30Å | |
| 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 | |
| N1 | C3 | sing | 1.46Å | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.21Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| 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 | 1.49Å | |
| N2 | C13 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | C11 | sing | 1.54Å | 1.52Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.55Å | 1.49Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| N3 | C14 | sing | 1.47Å | 1.46Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | sing | 1.43Å | 1.45Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | H29 | sing | 1.08Å | 1.08Å | |
| C19 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| C22 | H33 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C10 | N3 | sing | 1.35Å | 1.32Å | |
| C4 | N2 | sing | 1.35Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.7° | 120.0° |
| O1 | C1 | N1 | 118.7° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 119.6° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| C3 | N1 | H4 | 119.0° | 120.0° |
| N1 | C3 | C4 | 108.2° | 109.5° |
| N1 | C3 | C5 | 110.1° | 109.4° |
| N1 | C3 | H5 | 109.9° | 109.5° |
| C3 | N1 | C1 | 122.1° | 120.0° |
| H4 | N1 | C1 | 119.0° | 120.0° |
| C4 | C3 | C5 | 111.0° | 109.4° |
| C4 | C3 | H5 | 108.9° | 109.5° |
| C3 | C4 | O2 | 119.0° | 120.0° |
| C3 | C4 | N2 | 121.6° | 120.0° |
| C5 | C3 | H5 | 108.7° | 109.5° |
| C3 | C5 | C6 | 113.8° | 109.5° |
| C3 | C5 | C7 | 111.8° | 109.4° |
| C3 | C5 | H6 | 106.3° | 109.5° |
| O2 | C4 | N2 | 119.4° | 120.0° |
| C6 | C5 | C7 | 111.6° | 109.4° |
| C6 | C5 | H6 | 106.2° | 109.5° |
| C5 | C6 | C8 | 108.9° | 109.5° |
| C5 | C6 | H7 | 109.6° | 109.5° |
| C5 | C6 | H8 | 109.6° | 109.4° |
| C7 | C5 | H6 | 106.5° | 109.5° |
| C5 | C7 | H9 | 109.5° | 109.4° |
| C5 | C7 | H10 | 109.5° | 109.5° |
| C5 | C7 | H11 | 109.5° | 109.5° |
| C8 | C6 | H7 | 109.6° | 109.5° |
| C8 | C6 | H8 | 109.7° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.4° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| H9 | C7 | H11 | 109.4° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| H12 | C8 | H14 | 109.4° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| C9 | N2 | C13 | 114.2° | 108.7° |
| N2 | C9 | C10 | 113.6° | 109.9° |
| N2 | C9 | C11 | 100.6° | 107.2° |
| N2 | C9 | H15 | 110.5° | 109.9° |
| C9 | N2 | C4 | 120.9° | 125.6° |
| N2 | C13 | C12 | 102.4° | 104.7° |
| N2 | C13 | H20 | 111.2° | 110.3° |
| N2 | C13 | H21 | 111.2° | 110.4° |
| C13 | N2 | C4 | 124.9° | 125.6° |
| C10 | C9 | C11 | 111.8° | 109.9° |
| C10 | C9 | H15 | 110.0° | 109.9° |
| C9 | C10 | O3 | 128.5° | 120.0° |
| C9 | C10 | N3 | 114.9° | 120.0° |
| C11 | C9 | H15 | 110.0° | 110.0° |
| C9 | C11 | C12 | 105.6° | 103.0° |
| C9 | C11 | H16 | 110.4° | 110.7° |
| C9 | C11 | H17 | 110.4° | 110.7° |
| O3 | C10 | N3 | 116.6° | 120.0° |
| C12 | C11 | H16 | 110.5° | 110.7° |
| C12 | C11 | H17 | 110.4° | 110.7° |
| C11 | C12 | C13 | 107.4° | 101.4° |
| C11 | C12 | H18 | 110.0° | 111.0° |
| C11 | C12 | H19 | 110.0° | 111.0° |
| H16 | C11 | H17 | 109.4° | 110.7° |
| C13 | C12 | H18 | 110.0° | 111.2° |
| C13 | C12 | H19 | 110.0° | 110.9° |
| C12 | C13 | H20 | 111.2° | 110.5° |
| C12 | C13 | H21 | 111.2° | 110.4° |
| H18 | C12 | H19 | 109.5° | 110.9° |
| H20 | C13 | H21 | 109.4° | 110.4° |
| C14 | N3 | H22 | 118.0° | 120.0° |
| N3 | C14 | C15 | 109.7° | 109.5° |
| N3 | C14 | C16 | 111.5° | 109.5° |
| N3 | C14 | H23 | 109.0° | 109.4° |
| C14 | N3 | C10 | 124.0° | 120.0° |
| H22 | N3 | C10 | 118.0° | 120.0° |
| C15 | C14 | C16 | 110.3° | 109.5° |
| C15 | C14 | H23 | 108.4° | 109.5° |
| C14 | C15 | O4 | 109.4° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.5° |
| C14 | C15 | H25 | 109.5° | 109.4° |
| C16 | C14 | H23 | 108.0° | 109.5° |
| C14 | C16 | C17 | 112.8° | 109.5° |
| C14 | C16 | H27 | 108.6° | 109.5° |
| C14 | C16 | H28 | 108.7° | 109.5° |
| O4 | C15 | H24 | 109.5° | 109.5° |
| O4 | C15 | H25 | 109.5° | 109.5° |
| C15 | O4 | H26 | 109.5° | 114.1° |
| H24 | C15 | H25 | 109.4° | 109.4° |
| C17 | C16 | H27 | 108.7° | 109.5° |
| C17 | C16 | H28 | 108.6° | 109.5° |
| C16 | C17 | C18 | 121.9° | 120.0° |
| C16 | C17 | C19 | 118.5° | 120.0° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| C18 | C17 | C19 | 119.6° | 120.0° |
| C17 | C18 | C20 | 120.0° | 120.0° |
| C17 | C18 | H29 | 120.0° | 120.0° |
| C17 | C19 | C21 | 120.7° | 120.0° |
| C17 | C19 | H30 | 119.6° | 120.1° |
| C20 | C18 | H29 | 120.0° | 120.0° |
| C18 | C20 | C22 | 120.6° | 120.0° |
| C18 | C20 | H31 | 119.7° | 120.0° |
| C21 | C19 | H30 | 119.6° | 119.9° |
| C19 | C21 | C22 | 119.2° | 120.0° |
| C19 | C21 | H32 | 120.4° | 120.1° |
| C22 | C20 | H31 | 119.7° | 120.0° |
| C20 | C22 | C21 | 119.9° | 120.0° |
| C20 | C22 | H33 | 120.1° | 120.0° |
| C22 | C21 | H32 | 120.4° | 120.0° |
| C21 | C22 | H33 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.3° | 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 | 7.1° | 0.0° |
| O1 | C1 | N1 | H4 | 172.9° | 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 | 173.6° | 179.7° |
| C2 | C1 | N1 | H4 | 6.4° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.3° | 179.7° |
| H2 | C2 | C1 | N1 | 59.3° | 59.7° |
| H3 | C2 | C1 | N1 | 60.8° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 121.0° | 119.9° |
| N1 | C3 | C4 | H5 | 119.4° | 120.1° |
| N1 | C3 | C5 | H5 | 120.4° | 120.0° |
| N1 | C3 | C4 | O2 | 46.0° | 39.1° |
| N1 | C3 | C5 | C6 | 64.5° | 56.5° |
| N1 | C3 | C5 | C7 | 167.9° | 176.5° |
| N1 | C3 | C5 | H6 | 52.0° | 63.5° |
| N1 | C3 | C4 | N2 | 134.4° | 140.9° |
| H4 | N1 | C3 | C4 | 75.4° | 120.0° |
| H4 | N1 | C3 | C5 | 46.1° | 120.0° |
| H4 | N1 | C3 | H5 | 165.9° | 0.0° |
| C4 | C3 | C5 | H5 | 119.8° | 120.0° |
| C3 | C4 | O2 | N2 | 179.6° | 179.9° |
| C4 | C3 | C5 | C6 | 175.6° | 176.5° |
| C4 | C3 | C5 | C7 | 48.0° | 63.6° |
| C4 | C3 | C5 | H6 | 67.8° | 56.4° |
| C3 | C4 | N2 | C9 | 175.1° | 175.7° |
| C3 | C4 | N2 | C13 | 6.2° | 4.0° |
| C4 | C3 | N1 | C1 | 104.6° | 60.0° |
| C5 | C3 | C4 | O2 | 75.0° | 80.9° |
| C3 | C5 | C6 | C7 | 127.7° | 119.9° |
| C3 | C5 | C6 | H6 | 116.6° | 120.1° |
| C3 | C5 | C7 | H6 | 115.8° | 120.0° |
| C3 | C5 | C6 | C8 | 163.9° | 175.0° |
| C3 | C5 | C6 | H7 | 76.1° | 64.9° |
| C3 | C5 | C6 | H8 | 44.0° | 55.0° |
| C3 | C5 | C7 | H9 | 180.0° | 63.7° |
| C3 | C5 | C7 | H10 | 60.0° | 56.3° |
| C3 | C5 | C7 | H11 | 60.0° | 176.3° |
| C5 | C3 | N1 | C1 | 133.9° | 60.0° |
| C5 | C3 | C4 | N2 | 104.6° | 99.2° |
| H5 | C3 | C4 | O2 | 165.3° | 159.1° |
| H5 | C3 | C5 | C6 | 55.9° | 63.5° |
| H5 | C3 | C5 | C7 | 71.7° | 56.4° |
| H5 | C3 | C5 | H6 | 172.4° | 176.5° |
| H5 | C3 | N1 | C1 | 14.2° | 180.0° |
| H5 | C3 | C4 | N2 | 15.0° | 20.8° |
| O2 | C4 | N2 | C9 | 4.5° | 4.2° |
| O2 | C4 | N2 | C13 | 174.2° | 176.0° |
| C6 | C5 | C7 | H6 | 115.4° | 120.0° |
| C5 | C6 | C8 | H7 | 119.9° | 120.0° |
| C5 | C6 | C8 | H8 | 119.9° | 120.0° |
| C5 | C6 | H7 | H8 | 120.2° | 120.0° |
| C6 | C5 | C7 | H9 | 51.2° | 176.4° |
| C6 | C5 | C7 | H10 | 171.2° | 63.7° |
| C6 | C5 | C7 | H11 | 68.8° | 56.3° |
| C5 | C6 | C8 | H12 | 180.0° | 179.9° |
| C5 | C6 | C8 | H13 | 60.0° | 60.0° |
| C5 | C6 | C8 | H14 | 60.0° | 60.0° |
| C7 | C5 | C6 | C8 | 68.4° | 65.0° |
| C7 | C5 | C6 | H7 | 51.6° | 55.0° |
| C7 | C5 | C6 | H8 | 171.7° | 175.0° |
| C5 | C7 | H9 | H10 | 120.0° | 120.0° |
| C5 | C7 | H9 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| H6 | C5 | C6 | C8 | 47.3° | 55.0° |
| H6 | C5 | C6 | H7 | 167.2° | 175.0° |
| H6 | C5 | C6 | H8 | 72.7° | 65.0° |
| H6 | C5 | C7 | H9 | 64.3° | 56.4° |
| H6 | C5 | C7 | H10 | 55.7° | 176.3° |
| H6 | C5 | C7 | H11 | 175.8° | 63.7° |
| C8 | C6 | H7 | H8 | 120.3° | 120.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| H7 | C6 | C8 | H12 | 60.1° | 60.0° |
| H7 | C6 | C8 | H13 | 179.9° | 180.0° |
| H7 | C6 | C8 | H14 | 59.9° | 60.0° |
| H8 | C6 | C8 | H12 | 60.1° | 60.0° |
| H8 | C6 | C8 | H13 | 60.0° | 60.0° |
| H8 | C6 | C8 | H14 | 179.9° | NaN° |
| H9 | C7 | H10 | H11 | 119.9° | 120.0° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| C9 | N2 | C13 | C4 | 178.8° | 179.8° |
| N2 | C9 | C10 | C11 | 113.0° | 117.7° |
| N2 | C9 | C10 | H15 | 124.5° | 121.0° |
| N2 | C9 | C11 | H15 | 116.6° | 119.5° |
| N2 | C9 | C10 | O3 | 50.2° | 0.0° |
| N2 | C9 | C11 | C12 | 30.3° | 22.2° |
| N2 | C9 | C11 | H16 | 149.7° | 140.6° |
| N2 | C9 | C11 | H17 | 89.1° | 96.2° |
| C9 | N2 | C13 | C12 | 4.2° | 24.5° |
| C9 | N2 | C13 | H20 | 123.1° | 94.5° |
| C9 | N2 | C13 | H21 | 114.7° | 143.2° |
| N2 | C9 | C10 | N3 | 130.7° | 180.0° |
| C13 | N2 | C9 | C10 | 97.9° | 120.7° |
| C13 | N2 | C9 | C11 | 21.7° | 1.3° |
| C13 | N2 | C9 | H15 | 137.9° | 118.3° |
| N2 | C13 | C12 | C11 | 16.0° | 37.3° |
| N2 | C13 | C12 | H20 | 118.9° | 118.8° |
| N2 | C13 | C12 | H21 | 118.9° | 118.8° |
| N2 | C13 | C12 | H18 | 103.7° | 80.8° |
| N2 | C13 | C12 | H19 | 135.6° | 155.2° |
| N2 | C13 | H20 | H21 | 123.3° | 122.3° |
| C10 | C9 | C11 | H15 | 122.6° | 121.1° |
| C9 | C10 | O3 | N3 | 179.1° | 180.0° |
| C10 | C9 | C11 | C12 | 90.5° | 97.2° |
| C10 | C9 | C11 | H16 | 28.9° | 21.2° |
| C10 | C9 | C11 | H17 | 150.1° | 144.4° |
| C9 | C10 | N3 | C14 | 179.2° | 180.0° |
| C9 | C10 | N3 | H22 | 0.8° | 0.0° |
| C10 | C9 | N2 | C4 | 83.3° | 59.6° |
| C11 | C9 | C10 | O3 | 62.8° | 117.8° |
| C9 | C11 | C12 | H16 | 119.4° | 118.4° |
| C9 | C11 | C12 | H17 | 119.4° | 118.4° |
| C9 | C11 | H16 | H17 | 121.8° | 123.2° |
| C9 | C11 | C12 | C13 | 29.9° | 35.6° |
| C9 | C11 | C12 | H18 | 89.8° | 82.6° |
| C9 | C11 | C12 | H19 | 149.5° | 153.5° |
| C11 | C9 | C10 | N3 | 116.4° | 62.2° |
| C11 | C9 | N2 | C4 | 157.1° | 178.9° |
| H15 | C9 | C10 | O3 | 174.7° | 121.0° |
| H15 | C9 | C11 | C12 | 146.9° | 141.7° |
| H15 | C9 | C11 | H16 | 93.7° | 99.9° |
| H15 | C9 | C11 | H17 | 27.5° | 23.3° |
| H15 | C9 | C10 | N3 | 6.2° | 59.0° |
| H15 | C9 | N2 | C4 | 40.9° | 61.5° |
| O3 | C10 | N3 | C14 | 1.6° | 0.0° |
| O3 | C10 | N3 | H22 | 178.4° | 180.0° |
| C12 | C11 | H16 | H17 | 121.8° | 123.2° |
| C11 | C12 | C13 | H18 | 119.7° | 118.1° |
| C11 | C12 | C13 | H19 | 119.7° | 118.0° |
| C11 | C12 | H18 | H19 | 121.0° | 123.9° |
| C11 | C12 | C13 | H20 | 102.9° | 81.6° |
| C11 | C12 | C13 | H21 | 134.8° | 156.1° |
| H16 | C11 | C12 | C13 | 149.3° | 154.1° |
| H16 | C11 | C12 | H18 | 29.6° | 35.8° |
| H16 | C11 | C12 | H19 | 91.1° | 88.1° |
| H17 | C11 | C12 | C13 | 89.5° | 82.7° |
| H17 | C11 | C12 | H18 | 150.8° | 159.0° |
| H17 | C11 | C12 | H19 | 30.1° | 35.2° |
| C13 | C12 | H18 | H19 | 120.9° | 123.9° |
| C12 | C13 | H20 | H21 | 123.2° | 122.4° |
| C12 | C13 | N2 | C4 | 174.6° | 155.8° |
| H18 | C12 | C13 | H20 | 137.4° | 160.4° |
| H18 | C12 | C13 | H21 | 15.2° | 38.0° |
| H19 | C12 | C13 | H20 | 16.7° | 36.4° |
| H19 | C12 | C13 | H21 | 105.5° | 86.0° |
| H20 | C13 | N2 | C4 | 55.7° | 85.2° |
| H21 | C13 | N2 | C4 | 66.6° | 37.0° |
| C14 | N3 | H22 | C10 | 180.0° | 180.0° |
| N3 | C14 | C15 | C16 | 123.1° | 120.0° |
| N3 | C14 | C15 | H23 | 118.9° | 120.0° |
| N3 | C14 | C16 | H23 | 119.7° | 120.0° |
| N3 | C14 | C15 | O4 | 175.7° | 65.0° |
| N3 | C14 | C15 | H24 | 55.7° | 55.0° |
| N3 | C14 | C15 | H25 | 64.3° | 175.0° |
| N3 | C14 | C16 | C17 | 51.7° | 65.0° |
| N3 | C14 | C16 | H27 | 68.8° | 55.0° |
| N3 | C14 | C16 | H28 | 172.2° | 175.0° |
| H22 | N3 | C14 | C15 | 76.1° | 95.0° |
| H22 | N3 | C14 | C16 | 46.4° | 25.0° |
| H22 | N3 | C14 | H23 | 165.5° | 145.1° |
| C15 | C14 | C16 | H23 | 118.3° | 120.0° |
| C14 | C15 | O4 | H24 | 120.0° | 120.0° |
| C14 | C15 | O4 | H25 | 120.0° | 120.0° |
| C14 | C15 | H24 | H25 | 120.0° | 119.9° |
| C14 | C15 | O4 | H26 | 180.0° | 180.0° |
| C15 | C14 | C16 | C17 | 173.8° | 175.0° |
| C15 | C14 | C16 | H27 | 53.2° | 65.0° |
| C15 | C14 | C16 | H28 | 65.8° | 55.0° |
| C15 | C14 | N3 | C10 | 103.9° | 85.0° |
| C16 | C14 | C15 | O4 | 52.6° | 55.0° |
| C16 | C14 | C15 | H24 | 67.4° | 175.1° |
| C16 | C14 | C15 | H25 | 172.6° | 65.0° |
| C14 | C16 | C17 | H27 | 120.5° | 120.0° |
| C14 | C16 | C17 | H28 | 120.5° | 120.0° |
| C14 | C16 | H27 | H28 | 118.5° | 120.0° |
| C14 | C16 | C17 | C18 | 132.2° | 90.0° |
| C14 | C16 | C17 | C19 | 47.8° | 90.3° |
| C16 | C14 | N3 | C10 | 133.6° | 155.0° |
| H23 | C14 | C15 | O4 | 65.4° | 175.0° |
| H23 | C14 | C15 | H24 | 174.6° | 64.9° |
| H23 | C14 | C15 | H25 | 54.6° | 55.0° |
| H23 | C14 | C16 | C17 | 68.0° | 55.0° |
| H23 | C14 | C16 | H27 | 171.5° | 175.0° |
| H23 | C14 | C16 | H28 | 52.5° | 65.0° |
| H23 | C14 | N3 | C10 | 14.5° | 35.0° |
| O4 | C15 | H24 | H25 | 120.1° | 120.0° |
| H24 | C15 | O4 | H26 | 60.0° | 59.9° |
| H25 | C15 | O4 | H26 | 60.0° | 60.0° |
| C17 | C16 | H27 | H28 | 118.5° | 120.0° |
| C16 | C17 | C18 | C19 | 180.0° | 179.8° |
| C16 | C17 | C18 | C20 | 180.0° | 180.0° |
| C16 | C17 | C18 | H29 | 0.0° | 0.0° |
| C16 | C17 | C19 | C21 | 179.6° | 180.0° |
| C16 | C17 | C19 | H30 | 0.4° | 0.1° |
| H27 | C16 | C17 | C18 | 11.7° | 30.1° |
| H27 | C16 | C17 | C19 | 168.2° | 149.7° |
| H28 | C16 | C17 | C18 | 107.3° | 150.0° |
| H28 | C16 | C17 | C19 | 72.7° | 29.8° |
| C17 | C18 | C20 | H29 | 180.0° | 180.0° |
| C18 | C17 | C19 | C21 | 0.4° | 0.2° |
| C18 | C17 | C19 | H30 | 179.6° | 179.7° |
| C17 | C18 | C20 | C22 | 0.3° | 0.0° |
| C17 | C18 | C20 | H31 | 179.7° | 180.0° |
| C19 | C17 | C18 | C20 | 0.0° | 0.2° |
| C19 | C17 | C18 | H29 | 180.0° | 179.8° |
| C17 | C19 | C21 | H30 | 180.0° | 180.0° |
| C17 | C19 | C21 | C22 | 0.4° | 0.0° |
| C17 | C19 | C21 | H32 | 179.6° | 179.9° |
| C18 | C20 | C22 | H31 | 180.0° | 179.9° |
| C18 | C20 | C22 | C21 | 0.3° | 0.2° |
| C18 | C20 | C22 | H33 | 179.8° | 179.9° |
| H29 | C18 | C20 | C22 | 179.7° | 180.0° |
| H29 | C18 | C20 | H31 | 0.3° | 0.1° |
| C19 | C21 | C22 | C20 | 0.1° | 0.2° |
| C19 | C21 | C22 | H32 | 180.0° | 179.9° |
| C19 | C21 | C22 | H33 | 179.9° | 180.0° |
| H30 | C19 | C21 | C22 | 179.6° | 179.9° |
| H30 | C19 | C21 | H32 | 0.4° | 0.0° |
| C20 | C22 | C21 | H33 | 180.0° | 179.8° |
| C20 | C22 | C21 | H32 | 179.9° | 179.7° |
| H31 | C20 | C22 | C21 | 179.7° | 179.8° |
| H31 | C20 | C22 | H33 | 0.2° | 0.0° |
| H32 | C21 | C22 | H33 | 0.1° | 0.2° |
