PRD_000180
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.56Å | |
| C7 | C8 | sing | 1.53Å | 1.57Å | |
| C8 | C9 | sing | 1.51Å | 1.58Å | |
| C8 | N1 | sing | 1.46Å | 1.50Å | |
| C9 | O1 | doub | 1.21Å | 1.28Å | |
| C9 | O2 | sing | 1.34Å | 1.24Å | |
| N1 | C10 | sing | 1.35Å | 1.36Å | |
| C10 | O3 | doub | 1.22Å | 1.25Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| N2 | C11 | sing | 1.47Å | 1.50Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.59Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.25Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.59Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | N3 | sing | 1.47Å | 1.60Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | C16 | sing | 1.37Å | 1.44Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C16 | N4 | sing | 1.33Å | 1.51Å | |
| C16 | N5 | doub | 1.33Å | 1.40Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| N5 | H23 | sing | 0.97Å | 1.00Å | |
| N6 | C17 | sing | 1.47Å | 1.46Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C19 | sing | 1.53Å | 1.60Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.22Å | |
| C19 | C20 | sing | 1.53Å | 1.62Å | |
| C19 | C21 | sing | 1.53Å | 1.57Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| N7 | C22 | sing | 1.46Å | 1.49Å | |
| C22 | C23 | sing | 1.51Å | 1.56Å | |
| C22 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | O6 | doub | 1.21Å | 1.45Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.53Å | 1.61Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C26 | N8 | sing | 1.46Å | 1.45Å | |
| N8 | C27 | sing | 1.37Å | 1.39Å | |
| C27 | N9 | sing | 1.33Å | 1.36Å | |
| C27 | N10 | doub | 1.33Å | 1.36Å | |
| N7 | H34 | sing | 0.97Å | 1.00Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| N8 | H42 | sing | 0.97Å | 1.00Å | |
| N9 | H43 | sing | 0.97Å | 1.00Å | |
| N9 | H44 | sing | 0.97Å | 1.00Å | |
| N10 | H45 | sing | 0.97Å | 1.00Å | |
| N10 | H46 | sing | 0.97Å | 1.00Å | |
| C10 | N2 | sing | 1.35Å | 1.38Å | |
| C18 | N7 | sing | 1.35Å | 1.34Å | |
| C12 | N6 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.6° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C2 | C1 | H1 | 119.2° | 119.9° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C1 | C6 | C5 | 118.5° | 120.0° |
| C1 | C6 | C7 | 121.2° | 120.0° |
| C6 | C1 | H1 | 119.2° | 120.0° |
| C2 | C3 | C4 | 119.6° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C4 | C3 | H3 | 120.2° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.0° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C6 | C7 | C8 | 115.1° | 109.5° |
| C6 | C7 | H6 | 108.1° | 109.5° |
| C6 | C7 | H7 | 108.1° | 109.5° |
| C7 | C8 | C9 | 112.5° | 109.5° |
| C7 | C8 | N1 | 114.5° | 109.5° |
| C8 | C7 | H6 | 108.0° | 109.5° |
| C8 | C7 | H7 | 108.1° | 109.5° |
| C7 | C8 | H8 | 107.5° | 109.5° |
| C9 | C8 | N1 | 106.2° | 109.5° |
| C8 | C9 | O1 | 118.8° | 120.0° |
| C8 | C9 | O2 | 116.0° | 120.0° |
| C9 | C8 | H8 | 107.4° | 109.5° |
| C8 | N1 | C10 | 121.0° | 120.0° |
| N1 | C8 | H8 | 108.4° | 109.5° |
| C8 | N1 | H9 | 119.5° | 120.0° |
| O1 | C9 | O2 | 125.0° | 120.0° |
| C9 | O2 | H10 | 109.5° | 117.0° |
| N1 | C10 | O3 | 118.8° | 119.9° |
| C10 | N1 | H9 | 119.5° | 119.9° |
| N1 | C10 | N2 | 119.0° | 120.0° |
| O3 | C10 | N2 | 122.2° | 120.0° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| C11 | N2 | H11 | 116.9° | 120.0° |
| N2 | C11 | C12 | 104.5° | 109.5° |
| N2 | C11 | C13 | 109.1° | 109.5° |
| N2 | C11 | H12 | 112.8° | 109.5° |
| C11 | N2 | C10 | 126.2° | 120.0° |
| H11 | N2 | C10 | 116.9° | 120.0° |
| C12 | C11 | C13 | 106.0° | 109.4° |
| C12 | C11 | H12 | 111.5° | 109.5° |
| C11 | C12 | O4 | 123.6° | 120.0° |
| C11 | C12 | N6 | 116.7° | 120.0° |
| C13 | C11 | H12 | 112.4° | 109.5° |
| C11 | C13 | C14 | 112.2° | 109.4° |
| C11 | C13 | H13 | 108.8° | 109.5° |
| C11 | C13 | H14 | 108.8° | 109.5° |
| O4 | C12 | N6 | 119.7° | 120.0° |
| C14 | C13 | H13 | 108.8° | 109.5° |
| C14 | C13 | H14 | 108.8° | 109.5° |
| C13 | C14 | C15 | 109.8° | 109.4° |
| C13 | C14 | H15 | 109.4° | 109.5° |
| C13 | C14 | H16 | 109.4° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| C15 | C14 | H15 | 109.4° | 109.5° |
| C15 | C14 | H16 | 109.4° | 109.5° |
| C14 | C15 | N3 | 118.6° | 109.5° |
| C14 | C15 | H17 | 107.1° | 109.5° |
| C14 | C15 | H18 | 107.1° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| N3 | C15 | H17 | 107.2° | 109.4° |
| N3 | C15 | H18 | 107.2° | 109.4° |
| C15 | N3 | C16 | 150.9° | 120.0° |
| C15 | N3 | H19 | 104.6° | 120.0° |
| H17 | C15 | H18 | 109.5° | 109.4° |
| C16 | N3 | H19 | 104.5° | 120.0° |
| N3 | C16 | N4 | 135.9° | 120.0° |
| N3 | C16 | N5 | 103.3° | 120.0° |
| N4 | C16 | N5 | 119.8° | 120.0° |
| C16 | N4 | H20 | 120.0° | 120.0° |
| C16 | N4 | H21 | 120.0° | 120.0° |
| C16 | N5 | H22 | 120.0° | 119.9° |
| C16 | N5 | H23 | 120.0° | 120.0° |
| H20 | N4 | H21 | 120.0° | 119.9° |
| H22 | N5 | H23 | 120.0° | 120.1° |
| C17 | N6 | H24 | 119.0° | 120.0° |
| N6 | C17 | C18 | 109.8° | 109.5° |
| N6 | C17 | C19 | 109.8° | 109.5° |
| N6 | C17 | H25 | 109.0° | 109.5° |
| C17 | N6 | C12 | 122.0° | 120.0° |
| H24 | N6 | C12 | 119.0° | 120.0° |
| C18 | C17 | C19 | 112.3° | 109.5° |
| C18 | C17 | H25 | 108.4° | 109.5° |
| C17 | C18 | O5 | 121.9° | 120.0° |
| C17 | C18 | N7 | 112.1° | 120.0° |
| C19 | C17 | H25 | 107.3° | 109.4° |
| C17 | C19 | C20 | 106.7° | 109.5° |
| C17 | C19 | C21 | 111.4° | 109.4° |
| C17 | C19 | H26 | 107.7° | 109.5° |
| O5 | C18 | N7 | 125.3° | 120.0° |
| C20 | C19 | C21 | 115.3° | 109.5° |
| C20 | C19 | H26 | 107.4° | 109.5° |
| C19 | C20 | H27 | 109.5° | 109.5° |
| C19 | C20 | H28 | 109.4° | 109.5° |
| C19 | C20 | H29 | 109.5° | 109.5° |
| C21 | C19 | H26 | 108.0° | 109.5° |
| C19 | C21 | H30 | 109.5° | 109.5° |
| C19 | C21 | H31 | 109.5° | 109.4° |
| C19 | C21 | H32 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.4° |
| H27 | C20 | H29 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.4° | 109.5° |
| H30 | C21 | H32 | 109.5° | 109.5° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| N7 | C22 | C23 | 102.7° | 109.5° |
| N7 | C22 | C24 | 113.7° | 109.5° |
| C22 | N7 | H34 | 119.9° | 120.0° |
| N7 | C22 | H35 | 110.7° | 109.5° |
| C22 | N7 | C18 | 120.2° | 120.0° |
| C23 | C22 | C24 | 109.8° | 109.5° |
| C22 | C23 | O6 | 114.0° | 120.0° |
| C22 | C23 | H33 | 123.0° | 120.0° |
| C23 | C22 | H35 | 109.7° | 109.5° |
| C22 | C24 | C25 | 103.4° | 109.5° |
| C24 | C22 | H35 | 109.9° | 109.5° |
| C22 | C24 | H36 | 111.0° | 109.5° |
| C22 | C24 | H37 | 110.9° | 109.5° |
| O6 | C23 | H33 | 123.0° | 120.0° |
| C24 | C25 | C26 | 106.1° | 109.5° |
| C25 | C24 | H36 | 110.9° | 109.4° |
| C25 | C24 | H37 | 111.0° | 109.5° |
| C24 | C25 | H38 | 110.3° | 109.5° |
| C24 | C25 | H39 | 110.3° | 109.5° |
| C25 | C26 | N8 | 110.6° | 109.5° |
| C26 | C25 | H38 | 110.3° | 109.4° |
| C26 | C25 | H39 | 110.3° | 109.5° |
| C25 | C26 | H40 | 109.2° | 109.5° |
| C25 | C26 | H41 | 109.2° | 109.5° |
| C26 | N8 | C27 | 126.7° | 120.0° |
| N8 | C26 | H40 | 109.2° | 109.5° |
| N8 | C26 | H41 | 109.2° | 109.4° |
| C26 | N8 | H42 | 116.6° | 120.0° |
| N8 | C27 | N9 | 121.2° | 120.0° |
| N8 | C27 | N10 | 112.0° | 120.1° |
| C27 | N8 | H42 | 116.6° | 120.0° |
| N9 | C27 | N10 | 126.8° | 119.9° |
| C27 | N9 | H43 | 120.0° | 120.0° |
| C27 | N9 | H44 | 120.0° | 120.0° |
| C27 | N10 | H45 | 120.0° | 120.0° |
| C27 | N10 | H46 | 120.0° | 119.9° |
| H34 | N7 | C18 | 119.9° | 119.9° |
| H36 | C24 | H37 | 109.5° | 109.4° |
| H38 | C25 | H39 | 109.5° | 109.4° |
| H40 | C26 | H41 | 109.5° | 109.5° |
| H43 | N9 | H44 | 120.0° | 120.0° |
| H45 | N10 | H46 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | C5 | 2.0° | 0.1° |
| C2 | C1 | C6 | C7 | 179.1° | 180.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 1.3° | 0.0° |
| C1 | C6 | C5 | C4 | 1.2° | 0.2° |
| C1 | C6 | C5 | C7 | 178.9° | 179.9° |
| C1 | C6 | C7 | C8 | 35.1° | 90.0° |
| C6 | C1 | C2 | H2 | 178.6° | 180.0° |
| C1 | C6 | C5 | H5 | 178.9° | 180.0° |
| C1 | C6 | C7 | H6 | 85.7° | 150.0° |
| C1 | C6 | C7 | H7 | 156.0° | 30.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.1° |
| C3 | C2 | C1 | H1 | 178.6° | 179.7° |
| C2 | C3 | C4 | H4 | 179.1° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C4 | C5 | H5 | 179.7° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 179.9° | 179.9° |
| C5 | C4 | C3 | H3 | 179.1° | 180.0° |
| C5 | C6 | C7 | C8 | 146.0° | 90.1° |
| C5 | C6 | C1 | H1 | 178.0° | 179.6° |
| C6 | C5 | C4 | H4 | 179.7° | 179.9° |
| C5 | C6 | C7 | H6 | 93.2° | 29.9° |
| C5 | C6 | C7 | H7 | 25.1° | 149.9° |
| C6 | C7 | C8 | H6 | 120.8° | 120.0° |
| C6 | C7 | C8 | H7 | 120.8° | 120.0° |
| C6 | C7 | C8 | C9 | 172.7° | 175.0° |
| C6 | C7 | C8 | N1 | 51.3° | 65.0° |
| C7 | C6 | C1 | H1 | 0.9° | 0.3° |
| C7 | C6 | C5 | H5 | 0.0° | 0.2° |
| C6 | C7 | H6 | H7 | 117.4° | 120.0° |
| C6 | C7 | C8 | H8 | 69.2° | 55.0° |
| C7 | C8 | C9 | N1 | 126.0° | 120.0° |
| C7 | C8 | C9 | H8 | 118.1° | 120.0° |
| C7 | C8 | N1 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | O1 | 167.2° | 120.0° |
| C7 | C8 | C9 | O2 | 16.5° | 60.0° |
| C7 | C8 | N1 | C10 | 164.9° | 155.0° |
| C8 | C7 | H6 | H7 | 117.4° | 120.0° |
| C7 | C8 | N1 | H9 | 15.1° | 25.0° |
| C9 | C8 | N1 | H8 | 115.2° | 120.0° |
| C8 | C9 | O1 | O2 | 175.9° | 180.0° |
| C9 | C8 | N1 | C10 | 70.3° | 85.0° |
| C9 | C8 | C7 | H6 | 66.5° | 55.0° |
| C9 | C8 | C7 | H7 | 51.9° | 65.0° |
| C9 | C8 | N1 | H9 | 109.7° | 95.0° |
| C8 | C9 | O2 | H10 | 176.0° | 180.0° |
| N1 | C8 | C9 | O1 | 66.8° | 0.0° |
| N1 | C8 | C9 | O2 | 109.5° | 180.0° |
| C8 | N1 | C10 | H9 | 180.0° | 180.0° |
| C8 | N1 | C10 | O3 | 0.4° | 0.0° |
| N1 | C8 | C7 | H6 | 172.1° | 175.0° |
| N1 | C8 | C7 | H7 | 69.6° | 55.0° |
| C8 | N1 | C10 | N2 | 178.4° | 180.0° |
| O1 | C9 | C8 | H8 | 49.1° | 120.0° |
| O1 | C9 | O2 | H10 | 0.0° | 0.0° |
| O2 | C9 | C8 | H8 | 134.7° | 60.0° |
| N1 | C10 | O3 | N2 | 178.7° | 180.0° |
| C10 | N1 | C8 | H8 | 44.9° | 35.0° |
| N1 | C10 | N2 | C11 | 177.3° | 180.0° |
| N1 | C10 | N2 | H11 | 2.7° | 0.0° |
| O3 | C10 | N1 | H9 | 179.6° | 180.0° |
| O3 | C10 | N2 | C11 | 3.9° | 0.0° |
| O3 | C10 | N2 | H11 | 176.1° | 180.0° |
| H1 | C1 | C2 | H2 | 1.4° | 0.3° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
| H3 | C3 | C4 | H4 | 0.9° | 0.0° |
| H4 | C4 | C5 | H5 | 0.3° | 0.1° |
| H6 | C7 | C8 | H8 | 51.6° | 65.0° |
| H7 | C7 | C8 | H8 | 170.0° | 175.0° |
| H8 | C8 | N1 | H9 | 135.1° | 145.0° |
| H9 | N1 | C10 | N2 | 1.6° | 0.0° |
| C11 | N2 | H11 | C10 | 180.0° | 180.0° |
| N2 | C11 | C12 | C13 | 115.2° | 120.0° |
| N2 | C11 | C12 | H12 | 122.2° | 120.0° |
| N2 | C11 | C13 | H12 | 125.9° | 120.0° |
| N2 | C11 | C12 | O4 | 111.6° | 0.0° |
| N2 | C11 | C13 | C14 | 74.9° | 65.0° |
| N2 | C11 | C13 | H13 | 45.5° | 55.0° |
| N2 | C11 | C13 | H14 | 164.7° | 175.0° |
| N2 | C11 | C12 | N6 | 65.9° | 180.0° |
| H11 | N2 | C11 | C12 | 96.2° | 25.0° |
| H11 | N2 | C11 | C13 | 16.8° | 95.0° |
| H11 | N2 | C11 | H12 | 142.5° | 145.0° |
| C12 | C11 | C13 | H12 | 122.0° | 120.0° |
| C11 | C12 | O4 | N6 | 177.4° | 180.0° |
| C12 | C11 | C13 | C14 | 173.0° | 175.0° |
| C12 | C11 | C13 | H13 | 66.6° | 65.0° |
| C12 | C11 | C13 | H14 | 52.6° | 55.0° |
| C11 | C12 | N6 | C17 | 173.9° | 180.0° |
| C11 | C12 | N6 | H24 | 6.1° | 0.1° |
| C12 | C11 | N2 | C10 | 83.8° | 155.0° |
| C13 | C11 | C12 | O4 | 3.6° | 120.0° |
| C11 | C13 | C14 | H13 | 120.4° | 120.0° |
| C11 | C13 | C14 | H14 | 120.4° | 120.0° |
| C11 | C13 | H13 | H14 | 118.8° | 120.0° |
| C11 | C13 | C14 | C15 | 175.6° | 180.0° |
| C11 | C13 | C14 | H15 | 64.4° | 60.0° |
| C11 | C13 | C14 | H16 | 55.5° | 60.0° |
| C13 | C11 | N2 | C10 | 163.2° | 85.0° |
| C13 | C11 | C12 | N6 | 178.9° | 60.0° |
| H12 | C11 | C12 | O4 | 126.2° | 120.0° |
| H12 | C11 | C13 | C14 | 51.0° | 55.0° |
| H12 | C11 | C13 | H13 | 171.4° | 175.0° |
| H12 | C11 | C13 | H14 | 69.4° | 65.0° |
| H12 | C11 | N2 | C10 | 37.5° | 35.0° |
| H12 | C11 | C12 | N6 | 56.3° | 60.0° |
| O4 | C12 | N6 | C17 | 3.6° | 0.1° |
| O4 | C12 | N6 | H24 | 176.4° | 180.0° |
| C14 | C13 | H13 | H14 | 118.7° | 120.0° |
| C13 | C14 | C15 | H15 | 120.0° | 120.0° |
| C13 | C14 | C15 | H16 | 120.1° | 120.0° |
| C13 | C14 | H15 | H16 | 119.9° | 120.0° |
| C13 | C14 | C15 | N3 | 58.1° | 180.0° |
| C13 | C14 | C15 | H17 | 179.4° | 60.0° |
| C13 | C14 | C15 | H18 | 63.2° | 60.0° |
| H13 | C13 | C14 | C15 | 55.2° | 60.0° |
| H13 | C13 | C14 | H15 | 175.2° | 180.0° |
| H13 | C13 | C14 | H16 | 64.9° | 60.0° |
| H14 | C13 | C14 | C15 | 64.0° | 60.0° |
| H14 | C13 | C14 | H15 | 56.1° | 60.0° |
| H14 | C13 | C14 | H16 | 176.0° | 180.0° |
| C15 | C14 | H15 | H16 | 119.9° | 120.0° |
| C14 | C15 | N3 | H17 | 121.3° | 120.0° |
| C14 | C15 | N3 | H18 | 121.3° | 120.1° |
| C14 | C15 | H17 | H18 | 115.9° | 120.1° |
| C14 | C15 | N3 | C16 | 93.9° | 180.0° |
| C14 | C15 | N3 | H19 | 86.1° | 0.0° |
| H15 | C14 | C15 | N3 | 61.9° | 60.0° |
| H15 | C14 | C15 | H17 | 59.4° | 180.0° |
| H15 | C14 | C15 | H18 | 176.8° | 60.0° |
| H16 | C14 | C15 | N3 | 178.2° | 60.0° |
| H16 | C14 | C15 | H17 | 60.5° | 60.0° |
| H16 | C14 | C15 | H18 | 56.9° | 180.0° |
| N3 | C15 | H17 | H18 | 115.9° | 119.9° |
| C15 | N3 | C16 | H19 | 180.0° | 180.0° |
| C15 | N3 | C16 | N4 | 23.7° | 0.0° |
| C15 | N3 | C16 | N5 | 168.9° | 180.0° |
| H17 | C15 | N3 | C16 | 144.8° | 60.0° |
| H17 | C15 | N3 | H19 | 35.2° | 120.0° |
| H18 | C15 | N3 | C16 | 27.4° | 60.0° |
| H18 | C15 | N3 | H19 | 152.6° | 120.1° |
| N3 | C16 | N4 | N5 | 165.8° | 180.0° |
| N3 | C16 | N4 | H20 | 165.9° | 0.0° |
| N3 | C16 | N4 | H21 | 14.1° | 180.0° |
| N3 | C16 | N5 | H22 | 169.9° | 0.0° |
| N3 | C16 | N5 | H23 | 10.1° | 179.9° |
| H19 | N3 | C16 | N4 | 156.3° | 180.0° |
| H19 | N3 | C16 | N5 | 11.1° | 0.0° |
| C16 | N4 | H20 | H21 | 180.0° | 180.0° |
| N4 | C16 | N5 | H22 | 0.0° | 179.9° |
| N4 | C16 | N5 | H23 | 180.0° | 0.0° |
| N5 | C16 | N4 | H20 | 0.0° | 180.0° |
| N5 | C16 | N4 | H21 | 180.0° | 0.0° |
| C16 | N5 | H22 | H23 | 180.0° | 179.9° |
| C17 | N6 | H24 | C12 | 180.0° | 179.9° |
| N6 | C17 | C18 | C19 | 122.5° | 120.0° |
| N6 | C17 | C18 | H25 | 119.0° | 120.0° |
| N6 | C17 | C19 | H25 | 118.4° | 120.0° |
| N6 | C17 | C18 | O5 | 26.0° | 10.0° |
| N6 | C17 | C19 | C20 | 67.3° | 66.1° |
| N6 | C17 | C19 | C21 | 59.4° | 53.9° |
| N6 | C17 | C19 | H26 | 177.7° | 173.9° |
| N6 | C17 | C18 | N7 | 163.5° | 170.0° |
| H24 | N6 | C17 | C18 | 68.5° | 24.9° |
| H24 | N6 | C17 | C19 | 55.5° | 95.1° |
| H24 | N6 | C17 | H25 | 172.8° | 145.0° |
| C18 | C17 | C19 | H25 | 119.1° | 120.0° |
| C17 | C18 | O5 | N7 | 169.2° | 180.0° |
| C18 | C17 | C19 | C20 | 170.1° | 173.9° |
| C18 | C17 | C19 | C21 | 63.2° | 66.1° |
| C18 | C17 | C19 | H26 | 55.1° | 53.8° |
| C17 | C18 | N7 | C22 | 173.2° | 175.3° |
| C17 | C18 | N7 | H34 | 6.8° | 4.7° |
| C18 | C17 | N6 | C12 | 111.5° | 155.0° |
| C19 | C17 | C18 | O5 | 96.5° | 110.0° |
| C17 | C19 | C20 | C21 | 124.3° | 119.9° |
| C17 | C19 | C20 | H26 | 115.2° | 120.0° |
| C17 | C19 | C21 | H26 | 118.1° | 120.0° |
| C17 | C19 | C20 | H27 | 180.0° | 58.4° |
| C17 | C19 | C20 | H28 | 60.0° | 178.4° |
| C17 | C19 | C20 | H29 | 60.0° | 61.6° |
| C17 | C19 | C21 | H30 | 180.0° | 60.0° |
| C17 | C19 | C21 | H31 | 60.0° | 180.0° |
| C17 | C19 | C21 | H32 | 60.0° | 60.0° |
| C19 | C17 | C18 | N7 | 74.0° | 70.0° |
| C19 | C17 | N6 | C12 | 124.4° | 85.0° |
| H25 | C17 | C18 | O5 | 145.0° | 130.0° |
| H25 | C17 | C19 | C20 | 51.0° | 53.9° |
| H25 | C17 | C19 | C21 | 177.7° | 173.9° |
| H25 | C17 | C19 | H26 | 64.0° | 66.1° |
| H25 | C17 | C18 | N7 | 44.4° | 49.9° |
| H25 | C17 | N6 | C12 | 7.1° | 35.0° |
| O5 | C18 | N7 | C22 | 3.0° | 4.7° |
| O5 | C18 | N7 | H34 | 177.0° | 175.3° |
| C20 | C19 | C21 | H26 | 120.1° | 120.1° |
| C19 | C20 | H27 | H28 | 120.0° | 120.0° |
| C19 | C20 | H27 | H29 | 120.0° | 120.0° |
| C19 | C20 | H28 | H29 | 120.0° | 120.0° |
| C20 | C19 | C21 | H30 | 58.2° | 180.0° |
| C20 | C19 | C21 | H31 | 61.8° | 60.1° |
| C20 | C19 | C21 | H32 | 178.2° | 60.0° |
| C21 | C19 | C20 | H27 | 55.7° | 61.5° |
| C21 | C19 | C20 | H28 | 175.7° | 58.5° |
| C21 | C19 | C20 | H29 | 64.3° | 178.5° |
| C19 | C21 | H30 | H31 | 120.0° | 119.9° |
| C19 | C21 | H30 | H32 | 120.0° | 120.0° |
| C19 | C21 | H31 | H32 | 120.0° | 120.0° |
| H26 | C19 | C20 | H27 | 64.8° | 178.5° |
| H26 | C19 | C20 | H28 | 55.2° | 61.6° |
| H26 | C19 | C20 | H29 | 175.2° | 58.4° |
| H26 | C19 | C21 | H30 | 62.0° | 60.0° |
| H26 | C19 | C21 | H31 | 178.1° | 60.0° |
| H26 | C19 | C21 | H32 | 58.0° | 180.0° |
| H27 | C20 | H28 | H29 | 120.0° | 120.0° |
| H30 | C21 | H31 | H32 | 120.0° | 120.1° |
| N7 | C22 | C23 | C24 | 121.3° | 120.0° |
| N7 | C22 | C23 | H35 | 117.8° | 120.0° |
| N7 | C22 | C24 | H35 | 124.8° | 120.0° |
| N7 | C22 | C23 | O6 | 63.8° | 0.0° |
| N7 | C22 | C23 | H33 | 116.2° | 179.9° |
| N7 | C22 | C24 | C25 | 64.2° | 65.0° |
| C22 | N7 | H34 | C18 | 180.0° | 179.9° |
| N7 | C22 | C24 | H36 | 54.8° | 55.0° |
| N7 | C22 | C24 | H37 | 176.8° | 175.0° |
| C23 | C22 | C24 | H35 | 120.8° | 120.0° |
| C22 | C23 | O6 | H33 | 180.0° | 179.9° |
| C23 | C22 | C24 | C25 | 178.6° | 175.0° |
| C23 | C22 | N7 | H34 | 94.9° | 95.0° |
| C23 | C22 | C24 | H36 | 59.6° | 65.0° |
| C23 | C22 | C24 | H37 | 62.4° | 55.0° |
| C23 | C22 | N7 | C18 | 85.1° | 85.0° |
| C24 | C22 | C23 | O6 | 57.5° | 120.0° |
| C24 | C22 | C23 | H33 | 122.5° | 60.0° |
| C22 | C24 | C25 | H36 | 119.0° | 120.0° |
| C22 | C24 | C25 | H37 | 119.0° | 120.1° |
| C22 | C24 | C25 | C26 | 178.2° | 180.0° |
| C24 | C22 | N7 | H34 | 23.7° | 25.0° |
| C22 | C24 | H36 | H37 | 122.8° | 120.0° |
| C22 | C24 | C25 | H38 | 58.7° | 60.0° |
| C22 | C24 | C25 | H39 | 62.3° | 60.0° |
| C24 | C22 | N7 | C18 | 156.3° | 155.0° |
| O6 | C23 | C22 | H35 | 178.4° | 120.0° |
| H33 | C23 | C22 | H35 | 1.6° | 60.0° |
| C24 | C25 | C26 | H38 | 119.5° | 120.0° |
| C24 | C25 | C26 | H39 | 119.5° | 120.1° |
| C24 | C25 | C26 | N8 | 160.4° | 180.0° |
| C25 | C24 | C22 | H35 | 60.6° | 55.0° |
| C25 | C24 | H36 | H37 | 122.8° | 120.0° |
| C24 | C25 | H38 | H39 | 121.5° | 120.1° |
| C24 | C25 | C26 | H40 | 40.3° | 60.0° |
| C24 | C25 | C26 | H41 | 79.4° | 60.0° |
| C25 | C26 | N8 | H40 | 120.2° | 120.0° |
| C25 | C26 | N8 | H41 | 120.2° | 120.0° |
| C25 | C26 | N8 | C27 | 100.4° | 180.0° |
| C26 | C25 | C24 | H36 | 62.8° | 60.0° |
| C26 | C25 | C24 | H37 | 59.2° | 59.9° |
| C26 | C25 | H38 | H39 | 121.6° | 119.9° |
| C25 | C26 | H40 | H41 | 119.5° | 120.0° |
| C25 | C26 | N8 | H42 | 79.5° | 0.0° |
| C26 | N8 | C27 | H42 | 180.0° | 180.0° |
| C26 | N8 | C27 | N9 | 12.9° | 0.0° |
| C26 | N8 | C27 | N10 | 167.2° | 180.0° |
| N8 | C26 | C25 | H38 | 80.1° | 60.0° |
| N8 | C26 | C25 | H39 | 41.0° | 59.9° |
| N8 | C26 | H40 | H41 | 119.5° | 120.0° |
| N8 | C27 | N9 | N10 | 179.8° | 179.9° |
| C27 | N8 | C26 | H40 | 139.4° | 60.0° |
| C27 | N8 | C26 | H41 | 19.7° | 60.0° |
| N8 | C27 | N9 | H43 | 179.8° | 0.0° |
| N8 | C27 | N9 | H44 | 0.2° | 180.0° |
| N8 | C27 | N10 | H45 | 179.8° | 180.0° |
| N8 | C27 | N10 | H46 | 0.2° | 0.1° |
| N9 | C27 | N8 | H42 | 167.0° | 180.0° |
| C27 | N9 | H43 | H44 | 180.0° | 180.0° |
| N9 | C27 | N10 | H45 | 0.0° | 0.0° |
| N9 | C27 | N10 | H46 | 180.0° | 180.0° |
| N10 | C27 | N8 | H42 | 12.8° | 0.0° |
| N10 | C27 | N9 | H43 | 0.0° | 179.9° |
| N10 | C27 | N9 | H44 | 180.0° | 0.0° |
| C27 | N10 | H45 | H46 | 180.0° | 179.9° |
| H34 | N7 | C22 | H35 | 148.1° | 145.1° |
| H35 | C22 | C24 | H36 | 179.6° | 175.0° |
| H35 | C22 | C24 | H37 | 58.4° | 65.0° |
| H35 | C22 | N7 | C18 | 31.9° | 35.0° |
| H36 | C24 | C25 | H38 | 177.8° | 179.9° |
| H36 | C24 | C25 | H39 | 56.7° | 60.0° |
| H37 | C24 | C25 | H38 | 60.3° | 60.0° |
| H37 | C24 | C25 | H39 | 178.7° | 179.9° |
| H38 | C25 | C26 | H40 | 159.7° | 180.0° |
| H38 | C25 | C26 | H41 | 40.1° | 60.0° |
| H39 | C25 | C26 | H40 | 79.2° | 60.1° |
| H39 | C25 | C26 | H41 | 161.1° | 179.9° |
| H40 | C26 | N8 | H42 | 40.6° | 120.0° |
| H41 | C26 | N8 | H42 | 160.3° | 120.0° |
