PRD_002270
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | C2 | sing | 1.38Å | 1.41Å | |
| C2 | N3 | sing | 1.37Å | 1.40Å | |
| C2 | N2 | doub | 1.30Å | 1.30Å | |
| N3 | C3 | sing | 1.47Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C13 | C16 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C16 | C12 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | N6 | sing | 1.35Å | 1.37Å | |
| C17 | O3 | doub | 1.21Å | 1.23Å | |
| C6 | N4 | sing | 1.48Å | 1.46Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| N4 | C14 | sing | 1.37Å | 1.36Å | |
| N6 | C18 | sing | 1.46Å | 1.45Å | |
| C10 | C8 | sing | 1.53Å | 1.54Å | |
| N5 | C7 | sing | 1.37Å | 1.35Å | |
| N5 | C8 | sing | 1.49Å | 1.47Å | |
| C15 | C18 | sing | 1.53Å | 1.52Å | |
| C7 | O1 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C18 | C14 | sing | 1.51Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C14 | O4 | doub | 1.21Å | 1.22Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C9 | O2 | doub | 1.21Å | 1.25Å | |
| C9 | N8 | sing | 1.36Å | 1.38Å | |
| C20 | N7 | sing | 1.49Å | 1.46Å | |
| N8 | C21 | sing | 1.48Å | 1.44Å | |
| N7 | C28 | sing | 1.37Å | 1.37Å | |
| C28 | C21 | sing | 1.51Å | 1.54Å | |
| C28 | O5 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C27 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| N6 | H31 | sing | 0.97Å | 1.00Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C23 | H40 | sing | 1.08Å | 1.08Å | |
| N8 | H38 | sing | 0.97Å | 1.00Å | |
| C27 | H44 | sing | 1.08Å | 1.08Å | |
| C26 | H43 | sing | 1.08Å | 1.08Å | |
| C25 | H42 | sing | 1.08Å | 1.08Å | |
| C24 | H41 | sing | 1.08Å | 1.08Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| N7 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 119.6° | 120.0° |
| C1 | N1 | H4 | 120.2° | 120.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.4° | 109.5° |
| N1 | C1 | H2 | 109.4° | 109.5° |
| N1 | C2 | N3 | 114.7° | 120.0° |
| N1 | C2 | N2 | 121.4° | 120.0° |
| C2 | N1 | H4 | 120.2° | 120.1° |
| N3 | C2 | N2 | 124.0° | 120.1° |
| C2 | N3 | C3 | 124.2° | 120.0° |
| C2 | N3 | H6 | 117.9° | 120.1° |
| C2 | N2 | H5 | 112.0° | 119.9° |
| N3 | C3 | C4 | 112.4° | 109.5° |
| N3 | C3 | H7 | 108.7° | 109.5° |
| N3 | C3 | H8 | 108.7° | 109.4° |
| C3 | N3 | H6 | 117.9° | 120.0° |
| C3 | C4 | C5 | 109.8° | 109.4° |
| C4 | C3 | H7 | 108.7° | 109.5° |
| C4 | C3 | H8 | 108.8° | 109.4° |
| C3 | C4 | H10 | 109.4° | 109.4° |
| C3 | C4 | H9 | 109.4° | 109.5° |
| C13 | C16 | C12 | 111.9° | 109.5° |
| C13 | C16 | C17 | 107.5° | 109.5° |
| C16 | C13 | H25 | 109.5° | 109.5° |
| C16 | C13 | H26 | 109.5° | 109.4° |
| C16 | C13 | H27 | 109.5° | 109.4° |
| C13 | C16 | H32 | 110.3° | 109.4° |
| C4 | C5 | C6 | 109.5° | 109.4° |
| C5 | C4 | H10 | 109.4° | 109.5° |
| C5 | C4 | H9 | 109.4° | 109.5° |
| C4 | C5 | H12 | 109.4° | 109.5° |
| C4 | C5 | H11 | 109.5° | 109.5° |
| C5 | C6 | N4 | 109.7° | 109.6° |
| C5 | C6 | C7 | 110.9° | 109.6° |
| C6 | C5 | H12 | 109.5° | 109.4° |
| C6 | C5 | H11 | 109.5° | 109.5° |
| C5 | C6 | H13 | 107.3° | 109.6° |
| C11 | C10 | C8 | 110.7° | 109.5° |
| C11 | C10 | H18 | 109.1° | 109.5° |
| C11 | C10 | H17 | 109.2° | 109.5° |
| C10 | C11 | H20 | 109.5° | 109.5° |
| C10 | C11 | H21 | 109.4° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.5° |
| C12 | C16 | C17 | 107.1° | 109.5° |
| C16 | C12 | H22 | 109.5° | 109.5° |
| C16 | C12 | H23 | 109.5° | 109.5° |
| C16 | C12 | H24 | 109.5° | 109.5° |
| C12 | C16 | H32 | 109.7° | 109.5° |
| C16 | C17 | N6 | 116.0° | 120.0° |
| C16 | C17 | O3 | 121.2° | 120.0° |
| C17 | C16 | H32 | 110.4° | 109.5° |
| N6 | C17 | O3 | 122.9° | 120.0° |
| C17 | N6 | C18 | 124.6° | 120.0° |
| C17 | N6 | H31 | 117.7° | 120.0° |
| N4 | C6 | C7 | 113.2° | 108.7° |
| C6 | N4 | C14 | 118.8° | 115.7° |
| N4 | C6 | H13 | 108.2° | 109.6° |
| C6 | N4 | H14 | 120.6° | 122.1° |
| C6 | C7 | N5 | 117.3° | 118.4° |
| C6 | C7 | O1 | 121.3° | 120.8° |
| C7 | C6 | H13 | 107.3° | 109.7° |
| N4 | C14 | C18 | 115.7° | 118.8° |
| N4 | C14 | O4 | 120.5° | 120.5° |
| C14 | N4 | H14 | 120.6° | 122.1° |
| N6 | C18 | C15 | 108.1° | 109.5° |
| N6 | C18 | C14 | 110.9° | 109.5° |
| N6 | C18 | C19 | 114.2° | 109.5° |
| C18 | N6 | H31 | 117.7° | 120.0° |
| C10 | C8 | N5 | 106.9° | 109.7° |
| C10 | C8 | C9 | 108.8° | 109.7° |
| C10 | C8 | H16 | 110.0° | 109.8° |
| C8 | C10 | H18 | 109.1° | 109.4° |
| C8 | C10 | H17 | 109.2° | 109.5° |
| C7 | N5 | C8 | 121.1° | 114.0° |
| N5 | C7 | O1 | 121.4° | 120.8° |
| C7 | N5 | H15 | 119.4° | 123.0° |
| N5 | C8 | C9 | 110.1° | 108.2° |
| N5 | C8 | H16 | 110.9° | 109.8° |
| C8 | N5 | H15 | 119.4° | 123.1° |
| C15 | C18 | C14 | 104.2° | 109.5° |
| C15 | C18 | C19 | 106.0° | 109.5° |
| C18 | C15 | H28 | 109.5° | 109.5° |
| C18 | C15 | H29 | 109.5° | 109.4° |
| C18 | C15 | H30 | 109.5° | 109.5° |
| C8 | C9 | O2 | 117.8° | 120.6° |
| C8 | C9 | N8 | 119.4° | 118.9° |
| C9 | C8 | H16 | 110.1° | 109.7° |
| C14 | C18 | C19 | 112.7° | 109.4° |
| C18 | C14 | O4 | 123.9° | 120.6° |
| C18 | C19 | C20 | 118.3° | 109.5° |
| C18 | C19 | H33 | 107.2° | 109.5° |
| C18 | C19 | H34 | 107.2° | 109.5° |
| C19 | C20 | N7 | 111.9° | 108.4° |
| C20 | C19 | H33 | 107.2° | 109.5° |
| C20 | C19 | H34 | 107.2° | 109.5° |
| C19 | C20 | H35 | 108.8° | 109.7° |
| C19 | C20 | H36 | 108.9° | 109.7° |
| O2 | C9 | N8 | 122.7° | 120.5° |
| C9 | N8 | C21 | 123.2° | 115.8° |
| C9 | N8 | H38 | 118.4° | 122.1° |
| C20 | N7 | C28 | 123.5° | 114.0° |
| N7 | C20 | H35 | 108.9° | 109.7° |
| N7 | C20 | H36 | 108.8° | 109.7° |
| C20 | N7 | H37 | 118.2° | 123.0° |
| N8 | C21 | C28 | 108.4° | 108.6° |
| N8 | C21 | C22 | 109.2° | 109.6° |
| N8 | C21 | H39 | 110.9° | 109.6° |
| C21 | N8 | H38 | 118.4° | 122.1° |
| N7 | C28 | C21 | 116.5° | 118.4° |
| N7 | C28 | O5 | 122.8° | 120.8° |
| C28 | N7 | H37 | 118.2° | 123.0° |
| C21 | C28 | O5 | 120.7° | 120.8° |
| C28 | C21 | C22 | 109.2° | 109.6° |
| C28 | C21 | H39 | 109.6° | 109.8° |
| C21 | C22 | C27 | 121.5° | 120.0° |
| C21 | C22 | C23 | 118.8° | 120.0° |
| C22 | C21 | H39 | 109.6° | 109.6° |
| C22 | C27 | C26 | 119.4° | 120.0° |
| C27 | C22 | C23 | 119.6° | 120.0° |
| C22 | C27 | H44 | 120.3° | 120.0° |
| C27 | C26 | C25 | 119.5° | 120.0° |
| C26 | C27 | H44 | 120.3° | 120.0° |
| C27 | C26 | H43 | 120.2° | 120.0° |
| C22 | C23 | C24 | 120.1° | 120.0° |
| C22 | C23 | H40 | 120.0° | 119.9° |
| C26 | C25 | C24 | 120.7° | 120.0° |
| C25 | C26 | H43 | 120.3° | 120.0° |
| C26 | C25 | H42 | 119.6° | 120.0° |
| C23 | C24 | C25 | 120.7° | 120.0° |
| C24 | C23 | H40 | 120.0° | 120.0° |
| C23 | C24 | H41 | 119.7° | 120.0° |
| C24 | C25 | H42 | 119.6° | 120.0° |
| C25 | C24 | H41 | 119.7° | 119.9° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H10 | C4 | H9 | 109.4° | 109.5° |
| H12 | C5 | H11 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.4° |
| H22 | C12 | H24 | 109.5° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.5° |
| H25 | C13 | H26 | 109.5° | 109.5° |
| H25 | C13 | H27 | 109.5° | 109.5° |
| H26 | C13 | H27 | 109.4° | 109.5° |
| H28 | C15 | H29 | 109.5° | 109.5° |
| H28 | C15 | H30 | 109.5° | 109.5° |
| H29 | C15 | H30 | 109.5° | 109.4° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H35 | C20 | H36 | 109.5° | 109.7° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H18 | C10 | H17 | 109.5° | 109.4° |
| H20 | C11 | H21 | 109.5° | 109.4° |
| H20 | C11 | H19 | 109.5° | 109.5° |
| H21 | C11 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H4 | 180.0° | 179.9° |
| C1 | N1 | C2 | N3 | 159.8° | 180.0° |
| C1 | N1 | C2 | N2 | 18.7° | 0.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H3 | H2 | 119.9° | 120.0° |
| N1 | C2 | N3 | N2 | 178.4° | 180.0° |
| N1 | C2 | N3 | C3 | 178.7° | 179.9° |
| N1 | C2 | N3 | H6 | 1.3° | 0.1° |
| C2 | N1 | C1 | H1 | 180.0° | 60.0° |
| C2 | N1 | C1 | H3 | 60.0° | 180.0° |
| C2 | N1 | C1 | H2 | 60.0° | 60.1° |
| N1 | C2 | N2 | H5 | 178.3° | 180.0° |
| C2 | N3 | C3 | H6 | 180.0° | 179.9° |
| C2 | N3 | C3 | C4 | 85.0° | 180.0° |
| C2 | N3 | C3 | H7 | 35.5° | 60.0° |
| C2 | N3 | C3 | H8 | 154.6° | 60.1° |
| N3 | C2 | N1 | H4 | 20.3° | 0.0° |
| N3 | C2 | N2 | H5 | 0.0° | 0.0° |
| N2 | C2 | N3 | C3 | 2.9° | 0.1° |
| N2 | C2 | N3 | H6 | 177.1° | 179.9° |
| N2 | C2 | N1 | H4 | 161.3° | 180.0° |
| N3 | C3 | C4 | H7 | 120.4° | 120.0° |
| N3 | C3 | C4 | H8 | 120.5° | 119.9° |
| N3 | C3 | C4 | C5 | 66.3° | 180.0° |
| N3 | C3 | H7 | H8 | 118.7° | 120.0° |
| N3 | C3 | C4 | H10 | 53.8° | 60.1° |
| N3 | C3 | C4 | H9 | 173.7° | 59.9° |
| C3 | C4 | C5 | H10 | 120.1° | 119.9° |
| C3 | C4 | C5 | H9 | 120.1° | 120.0° |
| C3 | C4 | C5 | C6 | 169.8° | 180.0° |
| C4 | C3 | H7 | H8 | 118.7° | 120.0° |
| C4 | C3 | N3 | H6 | 95.0° | 0.1° |
| C3 | C4 | H10 | H9 | 119.9° | 120.0° |
| C3 | C4 | C5 | H12 | 49.8° | 60.1° |
| C3 | C4 | C5 | H11 | 70.2° | 60.0° |
| C13 | C16 | C12 | C17 | 117.5° | 120.0° |
| C13 | C16 | C12 | H32 | 122.7° | 120.0° |
| C13 | C16 | C17 | H32 | 120.3° | 120.0° |
| C13 | C16 | C17 | N6 | 115.3° | 60.0° |
| C13 | C16 | C17 | O3 | 64.4° | 120.0° |
| C13 | C16 | C12 | H22 | 180.0° | 60.0° |
| C13 | C16 | C12 | H23 | 60.0° | 180.0° |
| C13 | C16 | C12 | H24 | 60.0° | 60.0° |
| C16 | C13 | H25 | H26 | 120.0° | 120.0° |
| C16 | C13 | H25 | H27 | 120.0° | 120.0° |
| C16 | C13 | H26 | H27 | 120.0° | 119.9° |
| C4 | C5 | C6 | H12 | 120.0° | 119.9° |
| C4 | C5 | C6 | H11 | 120.0° | 120.0° |
| C4 | C5 | C6 | N4 | 171.1° | 65.0° |
| C4 | C5 | C6 | C7 | 63.1° | 175.8° |
| C5 | C4 | C3 | H7 | 173.3° | 60.0° |
| C5 | C4 | C3 | H8 | 54.2° | 60.1° |
| C5 | C4 | H10 | H9 | 119.8° | 120.1° |
| C4 | C5 | H12 | H11 | 120.0° | 120.1° |
| C4 | C5 | C6 | H13 | 53.8° | 55.4° |
| C5 | C6 | N4 | C7 | 124.4° | 119.8° |
| C5 | C6 | N4 | H13 | 116.8° | 120.3° |
| C5 | C6 | C7 | H13 | 116.9° | 120.4° |
| C5 | C6 | N4 | C14 | 174.0° | 93.6° |
| C5 | C6 | C7 | N5 | 89.2° | 14.1° |
| C5 | C6 | C7 | O1 | 89.5° | 165.9° |
| C6 | C5 | C4 | H10 | 70.1° | 60.1° |
| C6 | C5 | C4 | H9 | 49.8° | 60.0° |
| C6 | C5 | H12 | H11 | 120.0° | 120.0° |
| C5 | C6 | N4 | H14 | 6.0° | 86.4° |
| C11 | C10 | C8 | H18 | 120.2° | 120.0° |
| C11 | C10 | C8 | H17 | 120.2° | 120.1° |
| C11 | C10 | C8 | N5 | 59.1° | 65.1° |
| C11 | C10 | C8 | C9 | 178.0° | 176.2° |
| C11 | C10 | C8 | H16 | 61.4° | 55.6° |
| C11 | C10 | H18 | H17 | 119.4° | 120.0° |
| C10 | C11 | H20 | H21 | 120.0° | 120.0° |
| C10 | C11 | H20 | H19 | 120.0° | 120.0° |
| C10 | C11 | H21 | H19 | 120.0° | 120.0° |
| C12 | C16 | C17 | H32 | 119.4° | 120.0° |
| C12 | C16 | C17 | N6 | 124.4° | 180.0° |
| C12 | C16 | C17 | O3 | 56.0° | 0.0° |
| C16 | C12 | H22 | H23 | 120.0° | 120.0° |
| C16 | C12 | H22 | H24 | 120.0° | 120.0° |
| C16 | C12 | H23 | H24 | 120.0° | 120.0° |
| C12 | C16 | C13 | H25 | 180.0° | 60.0° |
| C12 | C16 | C13 | H26 | 60.0° | 60.0° |
| C12 | C16 | C13 | H27 | 60.0° | 180.0° |
| C16 | C17 | N6 | O3 | 179.7° | 179.9° |
| C16 | C17 | N6 | C18 | 177.7° | 174.8° |
| C17 | C16 | C12 | H22 | 62.5° | 180.0° |
| C17 | C16 | C12 | H23 | 57.5° | 60.0° |
| C17 | C16 | C12 | H24 | 177.5° | 60.0° |
| C17 | C16 | C13 | H25 | 62.7° | 180.0° |
| C17 | C16 | C13 | H26 | 177.3° | 60.0° |
| C17 | C16 | C13 | H27 | 57.3° | 60.0° |
| C16 | C17 | N6 | H31 | 2.3° | 5.1° |
| C17 | N6 | C18 | H31 | 180.0° | 180.0° |
| C17 | N6 | C18 | C15 | 159.3° | 175.6° |
| C17 | N6 | C18 | C14 | 45.6° | 64.3° |
| C17 | N6 | C18 | C19 | 83.0° | 55.6° |
| N6 | C17 | C16 | H32 | 5.0° | 60.0° |
| O3 | C17 | N6 | C18 | 2.7° | 5.2° |
| O3 | C17 | N6 | H31 | 177.3° | 174.8° |
| O3 | C17 | C16 | H32 | 175.3° | 120.1° |
| N4 | C6 | C7 | H13 | 119.4° | 119.8° |
| C6 | N4 | C14 | H14 | 180.0° | 179.9° |
| N4 | C6 | C7 | N5 | 34.6° | 133.9° |
| N4 | C6 | C7 | O1 | 146.7° | 46.1° |
| C6 | N4 | C14 | C18 | 176.1° | 179.8° |
| C6 | N4 | C14 | O4 | 3.7° | 0.1° |
| N4 | C6 | C5 | H12 | 68.9° | 55.0° |
| N4 | C6 | C5 | H11 | 51.2° | 175.0° |
| C7 | C6 | N4 | C14 | 61.6° | 26.2° |
| C6 | C7 | N5 | O1 | 178.7° | 180.0° |
| C6 | C7 | N5 | C8 | 177.5° | 179.5° |
| C7 | C6 | C5 | H12 | 56.9° | 64.2° |
| C7 | C6 | C5 | H11 | 176.9° | 55.8° |
| C7 | C6 | N4 | H14 | 118.4° | 153.9° |
| C6 | C7 | N5 | H15 | 2.4° | 0.7° |
| N4 | C14 | C18 | N6 | 44.8° | 19.7° |
| N4 | C14 | C18 | C15 | 71.3° | 100.3° |
| N4 | C14 | C18 | O4 | 179.8° | 179.9° |
| N4 | C14 | C18 | C19 | 174.2° | 139.7° |
| C14 | N4 | C6 | H13 | 57.2° | 146.1° |
| N6 | C18 | C15 | C14 | 118.0° | 120.0° |
| N6 | C18 | C15 | C19 | 122.9° | 120.0° |
| N6 | C18 | C14 | C19 | 129.4° | 120.0° |
| N6 | C18 | C14 | O4 | 135.4° | 160.3° |
| N6 | C18 | C19 | C20 | 47.3° | 159.0° |
| N6 | C18 | C15 | H28 | 180.0° | 52.7° |
| N6 | C18 | C15 | H29 | 60.0° | 172.7° |
| N6 | C18 | C15 | H30 | 60.0° | 67.4° |
| N6 | C18 | C19 | H33 | 73.9° | 80.9° |
| N6 | C18 | C19 | H34 | 168.6° | 39.0° |
| C10 | C8 | N5 | C7 | 153.5° | 151.9° |
| C10 | C8 | N5 | C9 | 118.0° | 119.7° |
| C10 | C8 | N5 | H16 | 119.9° | 120.7° |
| C10 | C8 | C9 | H16 | 120.6° | 120.7° |
| C10 | C8 | C9 | O2 | 58.5° | 46.4° |
| C10 | C8 | C9 | N8 | 124.8° | 133.5° |
| C8 | C10 | H18 | H17 | 119.4° | 120.0° |
| C8 | C10 | C11 | H20 | 180.0° | 59.9° |
| C8 | C10 | C11 | H21 | 60.0° | 60.0° |
| C8 | C10 | C11 | H19 | 60.0° | 180.0° |
| C10 | C8 | N5 | H15 | 26.5° | 28.0° |
| C7 | N5 | C8 | H15 | 180.0° | 179.9° |
| C7 | N5 | C8 | C9 | 88.5° | 88.4° |
| N5 | C7 | C6 | H13 | 153.9° | 106.2° |
| C7 | N5 | C8 | H16 | 33.6° | 31.2° |
| C8 | N5 | C7 | O1 | 1.2° | 0.5° |
| N5 | C8 | C9 | H16 | 122.6° | 119.7° |
| N5 | C8 | C9 | O2 | 175.4° | 73.2° |
| N5 | C8 | C9 | N8 | 8.0° | 106.8° |
| N5 | C8 | C10 | H18 | 179.3° | 174.9° |
| N5 | C8 | C10 | H17 | 61.1° | 55.0° |
| C15 | C18 | C14 | C19 | 114.5° | 120.0° |
| C15 | C18 | C14 | O4 | 108.5° | 79.6° |
| C15 | C18 | C19 | C20 | 166.2° | 39.0° |
| C18 | C15 | H28 | H29 | 120.0° | 120.0° |
| C18 | C15 | H28 | H30 | 120.0° | 120.1° |
| C18 | C15 | H29 | H30 | 120.0° | 120.0° |
| C15 | C18 | N6 | H31 | 20.7° | 4.3° |
| C15 | C18 | C19 | H33 | 45.0° | 159.1° |
| C15 | C18 | C19 | H34 | 72.5° | 80.9° |
| O1 | C7 | C6 | H13 | 27.3° | 73.8° |
| O1 | C7 | N5 | H15 | 178.8° | 179.3° |
| C8 | C9 | O2 | N8 | 176.6° | 179.9° |
| C8 | C9 | N8 | C21 | 176.2° | 179.0° |
| C8 | C9 | N8 | H38 | 3.8° | 1.0° |
| C9 | C8 | C10 | H18 | 61.8° | 56.2° |
| C9 | C8 | C10 | H17 | 57.8° | 63.7° |
| C9 | C8 | N5 | H15 | 91.5° | 91.7° |
| C14 | C18 | C19 | C20 | 80.4° | 81.0° |
| C14 | C18 | C15 | H28 | 62.0° | 67.4° |
| C14 | C18 | C15 | H29 | 178.0° | 52.6° |
| C14 | C18 | C15 | H30 | 58.0° | 172.6° |
| C18 | C14 | N4 | H14 | 3.9° | 0.3° |
| C14 | C18 | N6 | H31 | 134.4° | 115.7° |
| C14 | C18 | C19 | H33 | 158.4° | 39.1° |
| C14 | C18 | C19 | H34 | 40.9° | 159.1° |
| C19 | C18 | C14 | O4 | 6.0° | 40.3° |
| C18 | C19 | C20 | H33 | 121.3° | 120.0° |
| C18 | C19 | C20 | H34 | 121.3° | 120.0° |
| C18 | C19 | C20 | N7 | 60.9° | 76.4° |
| C19 | C18 | C15 | H28 | 57.1° | 172.7° |
| C19 | C18 | C15 | H29 | 62.9° | 67.4° |
| C19 | C18 | C15 | H30 | 177.1° | 52.6° |
| C19 | C18 | N6 | H31 | 97.0° | 124.3° |
| C18 | C19 | H33 | H34 | 116.0° | 120.0° |
| C18 | C19 | C20 | H35 | 59.5° | 163.8° |
| C18 | C19 | C20 | H36 | 178.7° | 43.3° |
| O4 | C14 | N4 | H14 | 176.3° | 179.8° |
| C19 | C20 | N7 | H35 | 120.4° | 119.7° |
| C19 | C20 | N7 | H36 | 120.4° | 119.8° |
| C19 | C20 | N7 | C28 | 98.7° | 174.6° |
| C20 | C19 | H33 | H34 | 116.0° | 120.0° |
| C19 | C20 | H35 | H36 | 118.9° | 120.5° |
| C19 | C20 | N7 | H37 | 81.3° | 5.4° |
| O2 | C9 | N8 | C21 | 7.3° | 1.0° |
| O2 | C9 | C8 | H16 | 62.1° | 167.1° |
| O2 | C9 | N8 | H38 | 172.7° | 179.0° |
| C9 | N8 | C21 | H38 | 180.0° | 180.0° |
| C9 | N8 | C21 | C28 | 138.7° | 117.2° |
| C9 | N8 | C21 | C22 | 102.5° | 123.1° |
| N8 | C9 | C8 | H16 | 114.6° | 12.8° |
| C9 | N8 | C21 | H39 | 18.4° | 2.8° |
| C20 | N7 | C28 | H37 | 180.0° | 180.0° |
| C20 | N7 | C28 | C21 | 176.1° | 179.6° |
| C20 | N7 | C28 | O5 | 7.3° | 0.4° |
| N7 | C20 | C19 | H33 | 177.9° | 43.6° |
| N7 | C20 | C19 | H34 | 60.4° | 163.6° |
| N7 | C20 | H35 | H36 | 118.8° | 120.5° |
| N8 | C21 | C28 | N7 | 24.5° | 46.7° |
| N8 | C21 | C28 | C22 | 118.8° | 119.7° |
| N8 | C21 | C28 | H39 | 121.2° | 119.8° |
| N8 | C21 | C28 | O5 | 158.8° | 133.3° |
| N8 | C21 | C22 | H39 | 121.7° | 120.3° |
| N8 | C21 | C22 | C27 | 41.4° | 40.3° |
| N8 | C21 | C22 | C23 | 136.3° | 140.0° |
| N7 | C28 | C21 | O5 | 176.7° | 180.0° |
| N7 | C28 | C21 | C22 | 143.2° | 166.4° |
| C28 | N7 | C20 | H35 | 140.9° | 54.9° |
| C28 | N7 | C20 | H36 | 21.7° | 65.6° |
| N7 | C28 | C21 | H39 | 96.7° | 73.2° |
| C28 | C21 | C22 | H39 | 120.0° | 120.5° |
| C28 | C21 | C22 | C27 | 76.9° | 78.9° |
| C28 | C21 | C22 | C23 | 105.4° | 100.9° |
| C28 | C21 | N8 | H38 | 41.3° | 62.9° |
| C21 | C28 | N7 | H37 | 3.9° | 0.5° |
| O5 | C28 | C21 | C22 | 40.1° | 13.5° |
| O5 | C28 | C21 | H39 | 80.0° | 106.9° |
| O5 | C28 | N7 | H37 | 172.7° | 179.6° |
| C21 | C22 | C27 | C23 | 177.7° | 179.8° |
| C21 | C22 | C27 | C26 | 178.4° | 179.7° |
| C21 | C22 | C23 | C24 | 178.4° | 180.0° |
| C21 | C22 | C23 | H40 | 1.6° | 0.0° |
| C22 | C21 | N8 | H38 | 77.5° | 56.9° |
| C21 | C22 | C27 | H44 | 1.6° | 0.0° |
| C22 | C27 | C26 | H44 | 180.0° | 179.7° |
| C22 | C27 | C26 | C25 | 0.4° | 0.5° |
| C27 | C22 | C23 | C24 | 0.6° | 0.2° |
| C27 | C22 | C21 | H39 | 163.1° | 160.6° |
| C27 | C22 | C23 | H40 | 179.4° | 179.7° |
| C22 | C27 | C26 | H43 | 179.7° | 179.7° |
| C26 | C27 | C22 | C23 | 0.7° | 0.5° |
| C27 | C26 | C25 | H43 | 180.0° | 179.8° |
| C27 | C26 | C25 | C24 | 1.5° | 0.2° |
| C27 | C26 | C25 | H42 | 178.5° | 179.7° |
| C22 | C23 | C24 | H40 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.4° | 0.0° |
| C23 | C22 | C21 | H39 | 14.6° | 19.6° |
| C23 | C22 | C27 | H44 | 179.4° | 179.8° |
| C22 | C23 | C24 | H41 | 179.5° | 180.0° |
| C26 | C25 | C24 | C23 | 1.5° | 0.0° |
| C26 | C25 | C24 | H42 | 180.0° | 180.0° |
| C25 | C26 | C27 | H44 | 179.6° | 179.8° |
| C26 | C25 | C24 | H41 | 178.4° | 180.0° |
| C23 | C24 | C25 | H41 | 180.0° | 180.0° |
| C23 | C24 | C25 | H42 | 178.4° | 180.0° |
| C25 | C24 | C23 | H40 | 179.5° | 180.0° |
| C24 | C25 | C26 | H43 | 178.5° | 180.0° |
| H7 | C3 | N3 | H6 | 144.5° | 119.9° |
| H7 | C3 | C4 | H10 | 66.6° | 59.9° |
| H7 | C3 | C4 | H9 | 53.2° | 180.0° |
| H8 | C3 | N3 | H6 | 25.4° | 120.1° |
| H8 | C3 | C4 | H10 | 174.2° | 180.0° |
| H8 | C3 | C4 | H9 | 65.9° | 60.0° |
| H10 | C4 | C5 | H12 | 169.9° | 180.0° |
| H10 | C4 | C5 | H11 | 49.9° | 59.9° |
| H9 | C4 | C5 | H12 | 70.2° | 59.9° |
| H9 | C4 | C5 | H11 | 169.8° | 180.0° |
| H12 | C5 | C6 | H13 | 173.8° | 175.3° |
| H11 | C5 | C6 | H13 | 66.2° | 64.6° |
| H22 | C12 | H23 | H24 | 120.0° | 120.0° |
| H22 | C12 | C16 | H32 | 57.3° | 60.0° |
| H23 | C12 | C16 | H32 | 177.3° | 60.0° |
| H24 | C12 | C16 | H32 | 62.7° | 180.0° |
| H25 | C13 | H26 | H27 | 120.0° | 120.1° |
| H25 | C13 | C16 | H32 | 57.6° | 60.0° |
| H26 | C13 | C16 | H32 | 62.4° | 180.0° |
| H27 | C13 | C16 | H32 | 177.6° | 60.0° |
| H13 | C6 | N4 | H14 | 122.8° | 34.0° |
| H28 | C15 | H29 | H30 | 120.0° | 120.0° |
| H16 | C8 | C10 | H18 | 58.8° | 64.4° |
| H16 | C8 | C10 | H17 | 178.4° | 175.7° |
| H16 | C8 | N5 | H15 | 146.4° | 148.7° |
| H33 | C19 | C20 | H35 | 61.7° | 76.1° |
| H33 | C19 | C20 | H36 | 57.5° | 163.4° |
| H34 | C19 | C20 | H35 | 179.2° | 43.9° |
| H34 | C19 | C20 | H36 | 60.0° | 76.7° |
| H35 | C20 | N7 | H37 | 39.1° | 125.1° |
| H36 | C20 | N7 | H37 | 158.3° | 114.4° |
| H4 | N1 | C1 | H1 | 0.0° | 120.0° |
| H4 | N1 | C1 | H3 | 120.0° | 0.1° |
| H4 | N1 | C1 | H2 | 120.0° | 120.0° |
| H39 | C21 | N8 | H38 | 161.6° | 177.2° |
| H1 | C1 | H3 | H2 | 120.0° | 120.0° |
| H40 | C23 | C24 | H41 | 0.5° | 0.0° |
| H44 | C27 | C26 | H43 | 0.4° | 0.0° |
| H43 | C26 | C25 | H42 | 1.5° | 0.1° |
| H42 | C25 | C24 | H41 | 1.6° | 0.0° |
| H18 | C10 | C11 | H20 | 59.8° | 60.0° |
| H18 | C10 | C11 | H21 | 60.2° | 180.0° |
| H18 | C10 | C11 | H19 | 179.8° | 60.1° |
| H17 | C10 | C11 | H20 | 59.8° | 180.0° |
| H17 | C10 | C11 | H21 | 179.8° | 60.0° |
| H17 | C10 | C11 | H19 | 60.2° | 59.9° |
| H20 | C11 | H21 | H19 | 120.0° | 120.0° |
