PRD_001117
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| 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 | 1.47Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C6 | N2 | sing | 1.35Å | 1.32Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N3 | C7 | sing | 1.46Å | 1.49Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.56Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | doub | 1.21Å | 1.24Å | |
| C9 | O5 | sing | 1.43Å | 1.41Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| O5 | H14 | sing | 0.97Å | 0.95Å | |
| N4 | C10 | sing | 1.47Å | 1.51Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | O6 | doub | 1.21Å | 1.25Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| N5 | C19 | sing | 1.46Å | 1.47Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | O7 | doub | 1.21Å | 1.24Å | |
| C21 | O8 | sing | 1.43Å | 1.43Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| O8 | H28 | sing | 0.97Å | 0.95Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | O9 | sing | 1.43Å | 1.43Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| N6 | C23 | sing | 1.46Å | 1.46Å | |
| N6 | H31 | sing | 0.97Å | 1.00Å | |
| O9 | H32 | sing | 0.97Å | 0.95Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| O10 | C25 | doub | 1.21Å | 1.21Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | N7 | sing | 1.35Å | 1.33Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| N7 | H38 | sing | 0.97Å | 1.00Å | |
| N7 | H39 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | N3 | sing | 1.35Å | 1.34Å | |
| C8 | N4 | sing | 1.35Å | 1.35Å | |
| C11 | N5 | sing | 1.35Å | 1.34Å | |
| C20 | N6 | sing | 1.35Å | 1.27Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.6° | 120.0° |
| O1 | C1 | N1 | 120.6° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 117.8° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| C3 | N1 | H4 | 118.9° | 120.0° |
| N1 | C3 | C4 | 115.3° | 109.5° |
| N1 | C3 | C5 | 110.2° | 109.5° |
| N1 | C3 | H5 | 107.5° | 109.5° |
| C3 | N1 | C1 | 122.2° | 120.0° |
| H4 | N1 | C1 | 118.9° | 120.0° |
| C4 | C3 | C5 | 109.9° | 109.5° |
| C4 | C3 | H5 | 106.7° | 109.5° |
| C3 | C4 | O2 | 119.9° | 120.0° |
| C3 | C4 | N3 | 115.9° | 120.0° |
| C5 | C3 | H5 | 106.8° | 109.4° |
| C3 | C5 | C6 | 112.1° | 109.5° |
| C3 | C5 | H6 | 108.8° | 109.4° |
| C3 | C5 | H7 | 108.8° | 109.5° |
| O2 | C4 | N3 | 124.2° | 120.0° |
| C6 | C5 | H6 | 108.8° | 109.5° |
| C6 | C5 | H7 | 108.8° | 109.5° |
| C5 | C6 | O3 | 121.1° | 120.0° |
| C5 | C6 | N2 | 116.0° | 120.1° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| O3 | C6 | N2 | 122.9° | 120.0° |
| C6 | N2 | H8 | 120.0° | 119.9° |
| C6 | N2 | H9 | 120.0° | 120.0° |
| H8 | N2 | H9 | 120.0° | 120.0° |
| C7 | N3 | H10 | 117.1° | 120.0° |
| N3 | C7 | C8 | 115.4° | 109.5° |
| N3 | C7 | C9 | 110.8° | 109.4° |
| N3 | C7 | H11 | 106.2° | 109.5° |
| C7 | N3 | C4 | 125.8° | 120.0° |
| H10 | N3 | C4 | 117.1° | 120.0° |
| C8 | C7 | C9 | 112.5° | 109.4° |
| C8 | C7 | H11 | 105.5° | 109.5° |
| C7 | C8 | O4 | 119.6° | 120.0° |
| C7 | C8 | N4 | 117.3° | 120.0° |
| C9 | C7 | H11 | 105.7° | 109.5° |
| C7 | C9 | O5 | 109.6° | 109.5° |
| C7 | C9 | H12 | 109.4° | 109.5° |
| C7 | C9 | H13 | 109.4° | 109.4° |
| O4 | C8 | N4 | 123.1° | 120.0° |
| O5 | C9 | H12 | 109.5° | 109.5° |
| O5 | C9 | H13 | 109.5° | 109.5° |
| C9 | O5 | H14 | 109.5° | 114.0° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| C10 | N4 | H15 | 117.3° | 120.0° |
| N4 | C10 | C11 | 111.9° | 109.5° |
| N4 | C10 | C12 | 113.0° | 109.4° |
| N4 | C10 | H16 | 108.2° | 109.5° |
| C10 | N4 | C8 | 125.4° | 120.0° |
| H15 | N4 | C8 | 117.3° | 120.0° |
| C11 | C10 | C12 | 108.1° | 109.4° |
| C11 | C10 | H16 | 107.7° | 109.5° |
| C10 | C11 | O6 | 120.5° | 120.0° |
| C10 | C11 | N5 | 117.3° | 120.0° |
| C12 | C10 | H16 | 107.7° | 109.5° |
| C10 | C12 | C13 | 115.0° | 109.4° |
| C10 | C12 | H17 | 108.1° | 109.5° |
| C10 | C12 | H18 | 108.1° | 109.5° |
| O6 | C11 | N5 | 122.1° | 120.0° |
| C13 | C12 | H17 | 108.1° | 109.5° |
| C13 | C12 | H18 | 108.1° | 109.4° |
| C12 | C13 | C14 | 120.4° | 120.0° |
| C12 | C13 | C15 | 120.7° | 120.0° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| C14 | C13 | C15 | 118.9° | 120.0° |
| C13 | C14 | C16 | 121.1° | 120.0° |
| C13 | C14 | H19 | 119.4° | 120.0° |
| C13 | C15 | C17 | 120.7° | 120.0° |
| C13 | C15 | H20 | 119.6° | 120.0° |
| C16 | C14 | H19 | 119.4° | 120.0° |
| C14 | C16 | C18 | 119.8° | 120.0° |
| C14 | C16 | H21 | 120.1° | 120.0° |
| C17 | C15 | H20 | 119.7° | 120.0° |
| C15 | C17 | C18 | 119.9° | 120.0° |
| C15 | C17 | H22 | 120.0° | 120.0° |
| C18 | C16 | H21 | 120.1° | 120.0° |
| C16 | C18 | C17 | 119.6° | 119.9° |
| C16 | C18 | H23 | 120.2° | 120.0° |
| C18 | C17 | H22 | 120.0° | 120.0° |
| C17 | C18 | H23 | 120.2° | 120.0° |
| C19 | N5 | H24 | 119.3° | 120.0° |
| N5 | C19 | C20 | 113.0° | 109.4° |
| N5 | C19 | C21 | 111.4° | 109.4° |
| N5 | C19 | H25 | 107.4° | 109.5° |
| C19 | N5 | C11 | 121.3° | 120.0° |
| H24 | N5 | C11 | 119.4° | 120.0° |
| C20 | C19 | C21 | 111.5° | 109.5° |
| C20 | C19 | H25 | 106.6° | 109.5° |
| C19 | C20 | O7 | 120.9° | 120.0° |
| C19 | C20 | N6 | 132.7° | 120.0° |
| C21 | C19 | H25 | 106.6° | 109.5° |
| C19 | C21 | O8 | 112.3° | 109.5° |
| C19 | C21 | H26 | 108.8° | 109.4° |
| C19 | C21 | H27 | 108.8° | 109.5° |
| O7 | C20 | N6 | 105.0° | 120.0° |
| O8 | C21 | H26 | 108.8° | 109.5° |
| O8 | C21 | H27 | 108.8° | 109.5° |
| C21 | O8 | H28 | 109.5° | 114.0° |
| H26 | C21 | H27 | 109.4° | 109.4° |
| C23 | C22 | O9 | 111.1° | 109.5° |
| C23 | C22 | H29 | 109.1° | 109.5° |
| C23 | C22 | H30 | 109.1° | 109.4° |
| C22 | C23 | N6 | 108.7° | 109.5° |
| C22 | C23 | C24 | 111.1° | 109.4° |
| C22 | C23 | H33 | 109.0° | 109.5° |
| O9 | C22 | H29 | 109.1° | 109.5° |
| O9 | C22 | H30 | 109.0° | 109.5° |
| C22 | O9 | H32 | 109.5° | 114.0° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| C23 | N6 | H31 | 100.9° | 120.0° |
| N6 | C23 | C24 | 109.4° | 109.5° |
| N6 | C23 | H33 | 109.8° | 109.5° |
| C23 | N6 | C20 | 158.2° | 120.0° |
| H31 | N6 | C20 | 100.9° | 120.0° |
| C24 | C23 | H33 | 108.9° | 109.5° |
| C23 | C24 | C26 | 112.8° | 109.5° |
| C23 | C24 | H34 | 108.6° | 109.5° |
| C23 | C24 | H35 | 108.6° | 109.5° |
| C26 | C24 | H34 | 108.6° | 109.5° |
| C26 | C24 | H35 | 108.6° | 109.4° |
| C24 | C26 | C25 | 110.6° | 109.5° |
| C24 | C26 | H36 | 109.2° | 109.5° |
| C24 | C26 | H37 | 109.2° | 109.4° |
| H34 | C24 | H35 | 109.5° | 109.5° |
| O10 | C25 | C26 | 120.4° | 120.0° |
| O10 | C25 | N7 | 122.0° | 120.0° |
| C26 | C25 | N7 | 117.6° | 120.0° |
| C25 | C26 | H36 | 109.2° | 109.5° |
| C25 | C26 | H37 | 109.2° | 109.5° |
| C25 | N7 | H38 | 120.0° | 119.9° |
| C25 | N7 | H39 | 120.0° | 120.0° |
| H36 | C26 | H37 | 109.4° | 109.5° |
| H38 | N7 | H39 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.6° | 179.6° |
| O1 | C1 | C2 | H1 | 0.0° | 0.1° |
| O1 | C1 | C2 | H2 | 120.0° | 119.9° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 103.1° | 4.8° |
| O1 | C1 | N1 | H4 | 76.9° | 175.1° |
| C1 | C2 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 78.3° | 174.8° |
| C2 | C1 | N1 | H4 | 101.7° | 5.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 178.6° | 179.7° |
| H2 | C2 | C1 | N1 | 58.6° | 59.7° |
| H3 | C2 | C1 | N1 | 61.4° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 125.2° | 120.0° |
| N1 | C3 | C4 | H5 | 119.3° | 120.0° |
| N1 | C3 | C5 | H5 | 116.5° | 120.0° |
| N1 | C3 | C4 | O2 | 49.1° | 0.0° |
| N1 | C3 | C5 | C6 | 133.6° | 65.6° |
| N1 | C3 | C5 | H6 | 13.2° | 54.4° |
| N1 | C3 | C5 | H7 | 106.0° | 174.3° |
| N1 | C3 | C4 | N3 | 131.8° | 180.0° |
| H4 | N1 | C3 | C4 | 32.0° | 98.4° |
| H4 | N1 | C3 | C5 | 93.1° | 21.6° |
| H4 | N1 | C3 | H5 | 150.8° | 141.6° |
| C4 | C3 | C5 | H5 | 115.4° | 120.0° |
| C3 | C4 | O2 | N3 | 179.1° | 180.0° |
| C4 | C3 | C5 | C6 | 98.3° | 174.4° |
| C4 | C3 | C5 | H6 | 141.3° | 65.6° |
| C4 | C3 | C5 | H7 | 22.1° | 54.3° |
| C3 | C4 | N3 | C7 | 176.3° | 180.0° |
| C3 | C4 | N3 | H10 | 3.7° | 0.0° |
| C4 | C3 | N1 | C1 | 148.0° | 81.7° |
| C5 | C3 | C4 | O2 | 76.1° | 120.0° |
| C3 | C5 | C6 | H6 | 120.4° | 120.0° |
| C3 | C5 | C6 | H7 | 120.4° | 120.1° |
| C3 | C5 | H6 | H7 | 118.8° | 120.0° |
| C3 | C5 | C6 | O3 | 76.9° | 5.6° |
| C3 | C5 | C6 | N2 | 102.0° | 174.4° |
| C5 | C3 | N1 | C1 | 86.9° | 158.3° |
| C5 | C3 | C4 | N3 | 103.0° | 60.0° |
| H5 | C3 | C4 | O2 | 168.4° | 120.0° |
| H5 | C3 | C5 | C6 | 17.1° | 54.4° |
| H5 | C3 | C5 | H6 | 103.3° | 174.4° |
| H5 | C3 | C5 | H7 | 137.5° | 65.6° |
| H5 | C3 | N1 | C1 | 29.2° | 38.3° |
| H5 | C3 | C4 | N3 | 12.5° | 60.0° |
| O2 | C4 | N3 | C7 | 4.5° | 0.0° |
| O2 | C4 | N3 | H10 | 175.5° | 180.0° |
| C6 | C5 | H6 | H7 | 118.8° | 120.0° |
| C5 | C6 | O3 | N2 | 178.8° | 180.0° |
| C5 | C6 | N2 | H8 | 178.9° | 0.0° |
| C5 | C6 | N2 | H9 | 1.1° | 180.0° |
| H6 | C5 | C6 | O3 | 43.5° | 125.6° |
| H6 | C5 | C6 | N2 | 137.6° | 54.4° |
| H7 | C5 | C6 | O3 | 162.7° | 114.5° |
| H7 | C5 | C6 | N2 | 18.4° | 65.5° |
| O3 | C6 | N2 | H8 | 0.0° | 180.0° |
| O3 | C6 | N2 | H9 | 180.0° | 0.0° |
| C6 | N2 | H8 | H9 | 180.0° | 180.0° |
| C7 | N3 | H10 | C4 | 180.0° | 180.0° |
| N3 | C7 | C8 | C9 | 128.4° | 120.0° |
| N3 | C7 | C8 | H11 | 116.9° | 120.0° |
| N3 | C7 | C9 | H11 | 114.7° | 120.0° |
| N3 | C7 | C8 | O4 | 4.6° | 0.1° |
| N3 | C7 | C9 | O5 | 171.5° | 65.0° |
| N3 | C7 | C9 | H12 | 51.5° | 175.0° |
| N3 | C7 | C9 | H13 | 68.4° | 55.0° |
| N3 | C7 | C8 | N4 | 177.2° | 179.9° |
| H10 | N3 | C7 | C8 | 136.0° | 24.9° |
| H10 | N3 | C7 | C9 | 94.8° | 95.0° |
| H10 | N3 | C7 | H11 | 19.5° | 145.0° |
| C8 | C7 | C9 | H11 | 114.6° | 120.0° |
| C7 | C8 | O4 | N4 | 178.1° | 179.9° |
| C8 | C7 | C9 | O5 | 57.7° | 55.0° |
| C8 | C7 | C9 | H12 | 177.8° | 65.0° |
| C8 | C7 | C9 | H13 | 62.3° | 175.0° |
| C7 | C8 | N4 | C10 | 178.0° | 180.0° |
| C7 | C8 | N4 | H15 | 2.0° | 0.1° |
| C8 | C7 | N3 | C4 | 44.0° | 155.0° |
| C9 | C7 | C8 | O4 | 133.0° | 120.0° |
| C7 | C9 | O5 | H12 | 120.0° | 120.0° |
| C7 | C9 | O5 | H13 | 120.0° | 120.0° |
| C7 | C9 | H12 | H13 | 119.9° | 120.0° |
| C7 | C9 | O5 | H14 | 180.0° | 180.0° |
| C9 | C7 | N3 | C4 | 85.2° | 85.0° |
| C9 | C7 | C8 | N4 | 48.9° | 60.1° |
| H11 | C7 | C8 | O4 | 112.3° | 120.0° |
| H11 | C7 | C9 | O5 | 56.9° | 175.0° |
| H11 | C7 | C9 | H12 | 63.2° | 55.0° |
| H11 | C7 | C9 | H13 | 176.9° | 65.0° |
| H11 | C7 | N3 | C4 | 160.5° | 35.0° |
| H11 | C7 | C8 | N4 | 65.9° | 59.9° |
| O4 | C8 | N4 | C10 | 3.9° | 0.1° |
| O4 | C8 | N4 | H15 | 176.1° | 180.0° |
| O5 | C9 | H12 | H13 | 120.0° | 120.0° |
| H12 | C9 | O5 | H14 | 60.0° | 60.0° |
| H13 | C9 | O5 | H14 | 60.0° | 60.0° |
| C10 | N4 | H15 | C8 | 180.0° | 179.9° |
| N4 | C10 | C11 | C12 | 125.1° | 119.9° |
| N4 | C10 | C11 | H16 | 118.8° | 120.0° |
| N4 | C10 | C12 | H16 | 119.5° | 120.0° |
| N4 | C10 | C11 | O6 | 94.9° | 0.0° |
| N4 | C10 | C12 | C13 | 92.5° | 65.0° |
| N4 | C10 | C12 | H17 | 28.3° | 54.9° |
| N4 | C10 | C12 | H18 | 146.7° | 175.0° |
| N4 | C10 | C11 | N5 | 85.4° | 180.0° |
| H15 | N4 | C10 | C11 | 9.2° | 24.9° |
| H15 | N4 | C10 | C12 | 113.1° | 95.0° |
| H15 | N4 | C10 | H16 | 127.7° | 144.9° |
| C11 | C10 | C12 | H16 | 116.1° | 120.0° |
| C10 | C11 | O6 | N5 | 179.7° | 180.0° |
| C11 | C10 | C12 | C13 | 143.1° | 175.0° |
| C11 | C10 | C12 | H17 | 96.1° | 65.0° |
| C11 | C10 | C12 | H18 | 22.3° | 55.1° |
| C10 | C11 | N5 | C19 | 178.4° | 180.0° |
| C10 | C11 | N5 | H24 | 1.6° | 0.0° |
| C11 | C10 | N4 | C8 | 170.8° | 154.9° |
| C12 | C10 | C11 | O6 | 30.2° | 120.0° |
| C10 | C12 | C13 | H17 | 120.8° | 120.0° |
| C10 | C12 | C13 | H18 | 120.8° | 119.9° |
| C10 | C12 | H17 | H18 | 117.5° | 120.0° |
| C10 | C12 | C13 | C14 | 106.7° | 90.0° |
| C10 | C12 | C13 | C15 | 75.5° | 90.2° |
| C12 | C10 | N4 | C8 | 66.9° | 85.1° |
| C12 | C10 | C11 | N5 | 149.5° | 60.0° |
| H16 | C10 | C11 | O6 | 146.3° | 120.0° |
| H16 | C10 | C12 | C13 | 27.0° | 55.0° |
| H16 | C10 | C12 | H17 | 147.8° | 175.0° |
| H16 | C10 | C12 | H18 | 93.8° | 65.0° |
| H16 | C10 | N4 | C8 | 52.3° | 34.9° |
| H16 | C10 | C11 | N5 | 33.4° | 60.0° |
| O6 | C11 | N5 | C19 | 1.9° | 0.0° |
| O6 | C11 | N5 | H24 | 178.1° | 180.0° |
| C13 | C12 | H17 | H18 | 117.5° | 120.0° |
| C12 | C13 | C14 | C15 | 177.9° | 179.7° |
| C12 | C13 | C14 | C16 | 179.8° | 180.0° |
| C12 | C13 | C14 | H19 | 0.2° | 0.1° |
| C12 | C13 | C15 | C17 | 179.4° | 180.0° |
| C12 | C13 | C15 | H20 | 0.6° | 0.0° |
| H17 | C12 | C13 | C14 | 14.1° | 30.0° |
| H17 | C12 | C13 | C15 | 163.7° | 149.7° |
| H18 | C12 | C13 | C14 | 132.5° | 150.0° |
| H18 | C12 | C13 | C15 | 45.3° | 29.7° |
| C13 | C14 | C16 | H19 | 180.0° | 180.0° |
| C14 | C13 | C15 | C17 | 1.6° | 0.3° |
| C14 | C13 | C15 | H20 | 178.4° | 179.7° |
| C13 | C14 | C16 | C18 | 1.3° | 0.0° |
| C13 | C14 | C16 | H21 | 178.7° | 179.9° |
| C15 | C13 | C14 | C16 | 1.9° | 0.3° |
| C15 | C13 | C14 | H19 | 178.1° | 179.8° |
| C13 | C15 | C17 | H20 | 180.0° | 180.0° |
| C13 | C15 | C17 | C18 | 0.6° | 0.0° |
| C13 | C15 | C17 | H22 | 179.4° | 180.0° |
| C14 | C16 | C18 | H21 | 180.0° | 179.9° |
| C14 | C16 | C18 | C17 | 0.3° | 0.3° |
| C14 | C16 | C18 | H23 | 179.7° | 180.0° |
| H19 | C14 | C16 | C18 | 178.7° | 179.9° |
| H19 | C14 | C16 | H21 | 1.3° | 0.0° |
| C15 | C17 | C18 | C16 | 0.1° | 0.3° |
| C15 | C17 | C18 | H22 | 180.0° | 180.0° |
| C15 | C17 | C18 | H23 | 179.9° | 180.0° |
| H20 | C15 | C17 | C18 | 179.4° | 180.0° |
| H20 | C15 | C17 | H22 | 0.6° | 0.1° |
| C16 | C18 | C17 | H23 | 180.0° | 179.7° |
| C16 | C18 | C17 | H22 | 180.0° | 179.7° |
| H21 | C16 | C18 | C17 | 179.7° | 179.8° |
| H21 | C16 | C18 | H23 | 0.3° | 0.1° |
| H22 | C17 | C18 | H23 | 0.0° | 0.0° |
| C19 | N5 | H24 | C11 | 180.0° | 180.0° |
| N5 | C19 | C20 | C21 | 126.3° | 119.9° |
| N5 | C19 | C20 | H25 | 117.7° | 120.0° |
| N5 | C19 | C21 | H25 | 116.8° | 120.0° |
| N5 | C19 | C20 | O7 | 73.5° | 0.1° |
| N5 | C19 | C21 | O8 | 88.6° | 65.0° |
| N5 | C19 | C21 | H26 | 31.8° | 175.0° |
| N5 | C19 | C21 | H27 | 150.9° | 55.1° |
| N5 | C19 | C20 | N6 | 90.6° | 180.0° |
| H24 | N5 | C19 | C20 | 106.2° | 24.9° |
| H24 | N5 | C19 | C21 | 20.2° | 95.0° |
| H24 | N5 | C19 | H25 | 136.5° | 144.9° |
| C20 | C19 | C21 | H25 | 116.0° | 120.0° |
| C19 | C20 | O7 | N6 | 168.0° | 180.0° |
| C20 | C19 | C21 | O8 | 144.2° | 55.0° |
| C20 | C19 | C21 | H26 | 95.4° | 65.0° |
| C20 | C19 | C21 | H27 | 23.7° | 175.0° |
| C19 | C20 | N6 | C23 | 136.1° | 180.0° |
| C19 | C20 | N6 | H31 | 43.8° | 0.0° |
| C20 | C19 | N5 | C11 | 73.8° | 155.0° |
| C21 | C19 | C20 | O7 | 52.8° | 120.0° |
| C19 | C21 | O8 | H26 | 120.5° | 120.0° |
| C19 | C21 | O8 | H27 | 120.4° | 120.0° |
| C19 | C21 | H26 | H27 | 118.7° | 120.0° |
| C19 | C21 | O8 | H28 | 180.0° | 180.0° |
| C21 | C19 | N5 | C11 | 159.8° | 85.0° |
| C21 | C19 | C20 | N6 | 143.0° | 60.0° |
| H25 | C19 | C20 | O7 | 168.8° | 120.0° |
| H25 | C19 | C21 | O8 | 28.2° | 175.0° |
| H25 | C19 | C21 | H26 | 148.6° | 55.0° |
| H25 | C19 | C21 | H27 | 92.3° | 65.0° |
| H25 | C19 | N5 | C11 | 43.5° | 35.0° |
| H25 | C19 | C20 | N6 | 27.1° | 60.0° |
| O7 | C20 | N6 | C23 | 29.8° | 0.0° |
| O7 | C20 | N6 | H31 | 150.2° | 180.0° |
| O8 | C21 | H26 | H27 | 118.7° | 120.0° |
| H26 | C21 | O8 | H28 | 59.5° | 60.0° |
| H27 | C21 | O8 | H28 | 59.6° | 60.0° |
| C23 | C22 | O9 | H29 | 120.3° | 120.0° |
| C23 | C22 | O9 | H30 | 120.2° | 120.0° |
| C23 | C22 | H29 | H30 | 119.3° | 120.0° |
| C22 | C23 | N6 | C24 | 121.4° | 119.9° |
| C22 | C23 | N6 | H33 | 119.1° | 120.0° |
| C22 | C23 | N6 | H31 | 67.5° | 95.0° |
| C23 | C22 | O9 | H32 | 180.0° | 180.0° |
| C22 | C23 | C24 | H33 | 120.0° | 120.0° |
| C22 | C23 | C24 | C26 | 131.1° | 175.0° |
| C22 | C23 | C24 | H34 | 108.4° | 65.0° |
| C22 | C23 | C24 | H35 | 10.7° | 55.1° |
| C22 | C23 | N6 | C20 | 112.6° | 85.1° |
| O9 | C22 | H29 | H30 | 119.2° | 120.0° |
| O9 | C22 | C23 | N6 | 157.6° | 64.9° |
| O9 | C22 | C23 | C24 | 82.1° | 55.0° |
| O9 | C22 | C23 | H33 | 37.9° | 175.0° |
| H29 | C22 | C23 | N6 | 82.2° | 175.0° |
| H29 | C22 | O9 | H32 | 59.8° | 60.0° |
| H29 | C22 | C23 | C24 | 38.2° | 65.0° |
| H29 | C22 | C23 | H33 | 158.2° | 55.0° |
| H30 | C22 | C23 | N6 | 37.3° | 55.1° |
| H30 | C22 | O9 | H32 | 59.7° | 60.0° |
| H30 | C22 | C23 | C24 | 157.7° | 175.0° |
| H30 | C22 | C23 | H33 | 82.3° | 65.0° |
| C23 | N6 | H31 | C20 | 180.0° | 179.9° |
| N6 | C23 | C24 | H33 | 120.0° | 120.1° |
| N6 | C23 | C24 | C26 | 108.9° | 65.0° |
| N6 | C23 | C24 | H34 | 11.5° | 55.0° |
| N6 | C23 | C24 | H35 | 130.6° | 175.0° |
| H31 | N6 | C23 | C24 | 53.9° | 24.9° |
| H31 | N6 | C23 | H33 | 173.4° | 145.0° |
| C23 | C24 | C26 | H34 | 120.5° | 120.0° |
| C23 | C24 | C26 | H35 | 120.5° | 120.0° |
| C23 | C24 | H34 | H35 | 118.5° | 120.0° |
| C23 | C24 | C26 | C25 | 160.4° | 180.0° |
| C23 | C24 | C26 | H36 | 40.2° | 60.0° |
| C23 | C24 | C26 | H37 | 79.4° | 60.0° |
| C24 | C23 | N6 | C20 | 126.0° | 155.0° |
| H33 | C23 | C24 | C26 | 11.1° | 55.0° |
| H33 | C23 | C24 | H34 | 131.6° | 175.0° |
| H33 | C23 | C24 | H35 | 109.4° | 64.9° |
| H33 | C23 | N6 | C20 | 6.6° | 35.0° |
| C26 | C24 | H34 | H35 | 118.5° | 120.0° |
| C24 | C26 | C25 | O10 | 38.5° | 0.0° |
| C24 | C26 | C25 | H36 | 120.2° | 120.0° |
| C24 | C26 | C25 | H37 | 120.2° | 120.0° |
| C24 | C26 | C25 | N7 | 141.9° | 180.0° |
| C24 | C26 | H36 | H37 | 119.5° | 120.0° |
| H34 | C24 | C26 | C25 | 79.2° | 60.0° |
| H34 | C24 | C26 | H36 | 160.6° | 180.0° |
| H34 | C24 | C26 | H37 | 41.0° | 60.0° |
| H35 | C24 | C26 | C25 | 39.9° | 60.0° |
| H35 | C24 | C26 | H36 | 80.3° | 60.0° |
| H35 | C24 | C26 | H37 | 160.1° | 180.0° |
| O10 | C25 | C26 | N7 | 179.6° | 180.0° |
| O10 | C25 | C26 | H36 | 158.7° | 120.0° |
| O10 | C25 | C26 | H37 | 81.7° | 120.0° |
| O10 | C25 | N7 | H38 | 0.0° | 180.0° |
| O10 | C25 | N7 | H39 | 180.0° | 0.1° |
| C25 | C26 | H36 | H37 | 119.5° | 120.0° |
| C26 | C25 | N7 | H38 | 179.6° | 0.0° |
| C26 | C25 | N7 | H39 | 0.4° | 180.0° |
| N7 | C25 | C26 | H36 | 21.7° | 60.0° |
| N7 | C25 | C26 | H37 | 97.9° | 60.0° |
| C25 | N7 | H38 | H39 | 180.0° | 180.0° |
