PRD_000913
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C1 | sing | 1.42Å | 0.00Å | Aromatic |
| C1 | C2 | doub | 1.35Å | 0.00Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 0.00Å | |
| O1 | C2 | sing | 1.34Å | 0.00Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 0.00Å | |
| C3 | H2 | sing | 1.09Å | 0.00Å | |
| C3 | H3 | sing | 1.09Å | 0.00Å | |
| C3 | H4 | sing | 1.09Å | 0.00Å | |
| N1 | O1 | sing | 1.21Å | 0.00Å | Aromatic |
| C4 | N1 | doub | 1.31Å | 0.00Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 0.00Å | |
| O2 | C5 | doub | 1.21Å | 0.00Å | |
| N2 | C6 | sing | 1.46Å | 1.45Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.22Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | C9 | sing | 1.47Å | 1.46Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | O4 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| N4 | C14 | sing | 1.46Å | 1.46Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | O5 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| O6 | C24 | doub | 1.21Å | 1.23Å | |
| N7 | C24 | sing | 1.35Å | 1.33Å | |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | N6 | sing | 1.46Å | 1.46Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C20 | N5 | doub | 1.28Å | 1.26Å | |
| C20 | H30 | sing | 1.08Å | 1.08Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| N7 | H38 | sing | 0.97Å | 1.00Å | |
| N7 | H39 | sing | 0.97Å | 1.00Å | |
| C5 | N2 | sing | 1.35Å | 41.77Å | |
| C7 | N3 | sing | 1.35Å | 1.33Å | |
| C10 | N4 | sing | 1.35Å | 1.33Å | |
| C15 | N6 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C2 | 90.0° | 103.9° |
| C4 | C1 | H1 | 90.0° | 128.0° |
| C1 | C4 | N1 | 90.0° | 106.1° |
| C1 | C4 | C5 | 90.0° | 126.9° |
| C2 | C1 | H1 | 90.0° | 128.0° |
| C1 | C2 | O1 | 90.0° | 106.6° |
| C1 | C2 | C3 | 90.0° | 126.7° |
| O1 | C2 | C3 | 90.0° | 126.7° |
| C2 | O1 | N1 | 90.0° | 111.8° |
| C2 | C3 | H2 | 90.0° | 109.5° |
| C2 | C3 | H3 | 90.0° | 109.5° |
| C2 | C3 | H4 | 90.0° | 109.5° |
| H2 | C3 | H3 | 90.0° | 109.4° |
| H2 | C3 | H4 | 90.0° | 109.5° |
| H3 | C3 | H4 | 90.0° | 109.5° |
| O1 | N1 | C4 | 90.0° | 111.5° |
| N1 | C4 | C5 | 90.0° | 127.0° |
| C4 | C5 | O2 | 90.0° | 120.0° |
| C4 | C5 | N2 | 90.0° | 120.0° |
| O2 | C5 | N2 | 90.0° | 120.0° |
| C6 | N2 | H5 | 147.6° | 120.0° |
| N2 | C6 | C7 | 110.7° | 109.5° |
| N2 | C6 | C8 | 110.3° | 109.5° |
| N2 | C6 | H6 | 109.5° | 109.5° |
| C6 | N2 | C5 | 64.7° | 120.0° |
| H5 | N2 | C5 | 147.6° | 120.0° |
| C7 | C6 | C8 | 109.0° | 109.4° |
| C7 | C6 | H6 | 108.8° | 109.5° |
| C6 | C7 | O3 | 120.4° | 120.0° |
| C6 | C7 | N3 | 116.8° | 120.0° |
| C8 | C6 | H6 | 108.5° | 109.5° |
| C6 | C8 | H7 | 109.5° | 109.5° |
| C6 | C8 | H8 | 109.5° | 109.5° |
| C6 | C8 | H9 | 109.5° | 109.5° |
| O3 | C7 | N3 | 122.8° | 120.0° |
| H7 | C8 | H8 | 109.5° | 109.4° |
| H7 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.4° | 109.4° |
| C9 | N3 | H10 | 119.0° | 120.0° |
| N3 | C9 | C10 | 110.8° | 109.5° |
| N3 | C9 | C11 | 105.0° | 109.5° |
| N3 | C9 | H11 | 111.4° | 109.5° |
| C9 | N3 | C7 | 122.1° | 120.0° |
| H10 | N3 | C7 | 118.9° | 120.0° |
| C10 | C9 | C11 | 108.4° | 109.5° |
| C10 | C9 | H11 | 110.7° | 109.5° |
| C9 | C10 | O4 | 120.4° | 120.0° |
| C9 | C10 | N4 | 118.1° | 120.0° |
| C11 | C9 | H11 | 110.4° | 109.4° |
| C9 | C11 | C12 | 111.2° | 109.5° |
| C9 | C11 | C13 | 112.2° | 109.4° |
| C9 | C11 | H12 | 107.4° | 109.5° |
| O4 | C10 | N4 | 121.4° | 120.0° |
| C12 | C11 | C13 | 110.9° | 109.5° |
| C12 | C11 | H12 | 107.4° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.4° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C13 | C11 | H12 | 107.4° | 109.5° |
| C11 | C13 | H16 | 109.5° | 109.5° |
| C11 | C13 | H17 | 109.4° | 109.4° |
| C11 | C13 | H18 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.4° |
| H13 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H16 | C13 | H18 | 109.4° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.4° |
| C14 | N4 | H19 | 120.0° | 120.0° |
| N4 | C14 | C15 | 111.0° | 109.5° |
| N4 | C14 | C16 | 105.6° | 109.5° |
| N4 | C14 | H20 | 109.9° | 109.5° |
| C14 | N4 | C10 | 120.0° | 120.0° |
| H19 | N4 | C10 | 120.0° | 120.0° |
| C15 | C14 | C16 | 111.9° | 109.4° |
| C15 | C14 | H20 | 109.3° | 109.4° |
| C14 | C15 | O5 | 122.0° | 119.9° |
| C14 | C15 | N6 | 114.9° | 120.0° |
| C16 | C14 | H20 | 109.1° | 109.4° |
| C14 | C16 | C17 | 110.2° | 109.5° |
| C14 | C16 | H21 | 109.3° | 109.5° |
| C14 | C16 | H22 | 109.3° | 109.5° |
| O5 | C15 | N6 | 123.2° | 120.0° |
| C17 | C16 | H21 | 109.3° | 109.4° |
| C17 | C16 | H22 | 109.3° | 109.5° |
| C16 | C17 | C18 | 109.9° | 109.5° |
| C16 | C17 | C19 | 113.3° | 109.5° |
| C16 | C17 | H23 | 108.0° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.4° |
| C18 | C17 | C19 | 109.2° | 109.4° |
| C18 | C17 | H23 | 108.2° | 109.5° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| C17 | C18 | H26 | 109.5° | 109.5° |
| C19 | C17 | H23 | 108.0° | 109.4° |
| C17 | C19 | H27 | 109.5° | 109.4° |
| C17 | C19 | H28 | 109.5° | 109.5° |
| C17 | C19 | H29 | 109.5° | 109.4° |
| H24 | C18 | H25 | 109.4° | 109.5° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H27 | C19 | H29 | 109.4° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| O6 | C24 | N7 | 124.2° | 120.0° |
| O6 | C24 | C23 | 120.1° | 120.0° |
| N7 | C24 | C23 | 115.7° | 120.0° |
| C24 | N7 | H38 | 120.0° | 120.0° |
| C24 | N7 | H39 | 120.0° | 119.9° |
| C24 | C23 | C22 | 107.1° | 109.5° |
| C24 | C23 | H36 | 110.0° | 109.5° |
| C24 | C23 | H37 | 110.1° | 109.5° |
| C23 | C22 | C21 | 110.8° | 109.5° |
| C23 | C22 | H34 | 109.1° | 109.5° |
| C23 | C22 | H35 | 109.1° | 109.5° |
| C22 | C23 | H36 | 110.1° | 109.5° |
| C22 | C23 | H37 | 110.0° | 109.5° |
| C22 | C21 | N6 | 101.6° | 109.5° |
| C22 | C21 | C20 | 108.1° | 109.5° |
| C22 | C21 | H32 | 109.6° | 109.4° |
| C21 | C22 | H34 | 109.1° | 109.4° |
| C21 | C22 | H35 | 109.1° | 109.5° |
| N6 | C21 | C20 | 116.8° | 109.5° |
| N6 | C21 | H32 | 110.4° | 109.5° |
| C21 | N6 | H33 | 118.0° | 120.0° |
| C21 | N6 | C15 | 123.9° | 120.0° |
| C21 | C20 | N5 | 117.9° | 120.0° |
| C21 | C20 | H30 | 121.1° | 120.0° |
| C20 | C21 | H32 | 109.8° | 109.5° |
| N5 | C20 | H30 | 121.1° | 120.1° |
| C20 | N5 | H31 | 112.0° | 120.0° |
| H33 | N6 | C15 | 118.1° | 120.0° |
| H34 | C22 | H35 | 109.5° | 109.4° |
| H36 | C23 | H37 | 109.5° | 109.4° |
| H38 | N7 | H39 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C2 | H1 | 90.0° | 179.7° |
| C4 | C1 | C2 | O1 | 90.0° | 0.3° |
| C4 | C1 | C2 | C3 | 90.0° | 179.8° |
| C1 | C4 | N1 | O1 | 90.0° | 0.4° |
| C1 | C4 | N1 | C5 | 90.0° | 179.6° |
| C1 | C4 | C5 | O2 | 90.0° | 0.0° |
| C1 | C4 | C5 | N2 | 90.0° | 180.0° |
| C1 | C2 | O1 | C3 | 90.0° | 179.9° |
| C1 | C2 | C3 | H2 | 90.0° | 90.1° |
| C1 | C2 | C3 | H3 | 90.0° | 150.0° |
| C1 | C2 | C3 | H4 | 90.0° | 30.0° |
| C1 | C2 | O1 | N1 | 90.0° | 0.1° |
| C2 | C1 | C4 | N1 | 90.0° | 0.5° |
| C2 | C1 | C4 | C5 | 90.0° | 179.9° |
| H1 | C1 | C2 | O1 | 90.0° | 180.0° |
| H1 | C1 | C2 | C3 | 90.0° | 0.1° |
| H1 | C1 | C4 | N1 | 90.0° | 179.9° |
| H1 | C1 | C4 | C5 | 90.0° | 0.3° |
| O1 | C2 | C3 | H2 | 90.0° | 90.0° |
| O1 | C2 | C3 | H3 | 90.0° | 29.9° |
| O1 | C2 | C3 | H4 | 90.0° | 149.9° |
| C2 | O1 | N1 | C4 | 90.0° | 0.2° |
| C2 | C3 | H2 | H3 | 90.0° | 120.0° |
| C2 | C3 | H2 | H4 | 90.0° | 120.0° |
| C2 | C3 | H3 | H4 | 90.0° | 120.0° |
| C3 | C2 | O1 | N1 | 90.0° | 180.0° |
| H2 | C3 | H3 | H4 | 90.0° | 120.0° |
| O1 | N1 | C4 | C5 | 90.0° | 180.0° |
| N1 | C4 | C5 | O2 | 90.0° | 179.5° |
| N1 | C4 | C5 | N2 | 90.0° | 0.5° |
| C4 | C5 | O2 | N2 | 90.0° | 179.9° |
| C4 | C5 | N2 | C6 | 90.0° | 180.0° |
| C4 | C5 | N2 | H5 | 90.0° | 0.0° |
| O2 | C5 | N2 | C6 | 90.0° | 0.1° |
| O2 | C5 | N2 | H5 | 90.0° | 180.0° |
| C6 | N2 | H5 | C5 | 180.0° | 180.0° |
| N2 | C6 | C7 | C8 | 121.6° | 120.0° |
| N2 | C6 | C7 | H6 | 120.3° | 120.0° |
| N2 | C6 | C8 | H6 | 119.9° | 120.0° |
| N2 | C6 | C7 | O3 | 41.5° | 0.0° |
| N2 | C6 | C8 | H7 | 180.0° | 180.0° |
| N2 | C6 | C8 | H8 | 60.0° | 60.1° |
| N2 | C6 | C8 | H9 | 60.0° | 59.9° |
| N2 | C6 | C7 | N3 | 139.4° | 179.9° |
| H5 | N2 | C6 | C7 | 38.4° | 25.0° |
| H5 | N2 | C6 | C8 | 82.3° | 95.0° |
| H5 | N2 | C6 | H6 | 158.3° | 145.0° |
| C7 | C6 | C8 | H6 | 118.3° | 120.0° |
| C6 | C7 | O3 | N3 | 179.1° | 180.0° |
| C7 | C6 | C8 | H7 | 58.2° | 60.0° |
| C7 | C6 | C8 | H8 | 178.2° | 180.0° |
| C7 | C6 | C8 | H9 | 61.8° | 60.0° |
| C6 | C7 | N3 | C9 | 179.5° | 180.0° |
| C6 | C7 | N3 | H10 | 0.6° | 0.1° |
| C7 | C6 | N2 | C5 | 141.6° | 155.0° |
| C8 | C6 | C7 | O3 | 80.1° | 120.0° |
| C6 | C8 | H7 | H8 | 120.0° | 120.0° |
| C6 | C8 | H7 | H9 | 120.0° | 120.1° |
| C6 | C8 | H8 | H9 | 120.0° | 120.1° |
| C8 | C6 | N2 | C5 | 97.6° | 85.1° |
| C8 | C6 | C7 | N3 | 99.1° | 60.0° |
| H6 | C6 | C7 | O3 | 161.8° | 120.0° |
| H6 | C6 | C8 | H7 | 60.1° | 60.0° |
| H6 | C6 | C8 | H8 | 59.9° | 60.0° |
| H6 | C6 | C8 | H9 | 179.9° | 180.0° |
| H6 | C6 | N2 | C5 | 21.7° | 35.0° |
| H6 | C6 | C7 | N3 | 19.1° | 60.0° |
| O3 | C7 | N3 | C9 | 0.4° | 0.0° |
| O3 | C7 | N3 | H10 | 179.7° | 180.0° |
| H7 | C8 | H8 | H9 | 120.0° | 119.9° |
| C9 | N3 | H10 | C7 | 180.0° | 179.9° |
| N3 | C9 | C10 | C11 | 114.7° | 120.0° |
| N3 | C9 | C10 | H11 | 124.1° | 120.0° |
| N3 | C9 | C11 | H11 | 120.1° | 120.0° |
| N3 | C9 | C10 | O4 | 57.2° | 19.9° |
| N3 | C9 | C11 | C12 | 165.4° | 64.0° |
| N3 | C9 | C11 | C13 | 69.7° | 56.0° |
| N3 | C9 | C11 | H12 | 48.1° | 176.0° |
| N3 | C9 | C10 | N4 | 123.1° | 160.1° |
| H10 | N3 | C9 | C10 | 49.1° | 25.0° |
| H10 | N3 | C9 | C11 | 67.7° | 95.0° |
| H10 | N3 | C9 | H11 | 172.8° | 145.0° |
| C10 | C9 | C11 | H11 | 121.4° | 120.0° |
| C9 | C10 | O4 | N4 | 179.7° | 180.0° |
| C10 | C9 | C11 | C12 | 47.0° | 176.0° |
| C10 | C9 | C11 | C13 | 171.8° | 64.0° |
| C10 | C9 | C11 | H12 | 70.3° | 56.0° |
| C9 | C10 | N4 | C14 | 179.5° | 175.8° |
| C9 | C10 | N4 | H19 | 0.5° | 4.3° |
| C10 | C9 | N3 | C7 | 130.9° | 155.0° |
| C11 | C9 | C10 | O4 | 57.5° | 100.1° |
| C9 | C11 | C12 | C13 | 125.6° | 120.0° |
| C9 | C11 | C12 | H12 | 117.3° | 120.0° |
| C9 | C11 | C13 | H12 | 117.8° | 120.0° |
| C9 | C11 | C12 | H13 | 180.0° | 65.8° |
| C9 | C11 | C12 | H14 | 60.0° | 174.2° |
| C9 | C11 | C12 | H15 | 60.0° | 54.2° |
| C9 | C11 | C13 | H16 | 180.0° | 60.0° |
| C9 | C11 | C13 | H17 | 60.0° | 180.0° |
| C9 | C11 | C13 | H18 | 60.0° | 60.1° |
| C11 | C9 | N3 | C7 | 112.3° | 85.0° |
| C11 | C9 | C10 | N4 | 122.2° | 79.9° |
| H11 | C9 | C10 | O4 | 178.7° | 139.9° |
| H11 | C9 | C11 | C12 | 74.4° | 56.0° |
| H11 | C9 | C11 | C13 | 50.4° | 176.0° |
| H11 | C9 | C11 | H12 | 168.3° | 64.0° |
| H11 | C9 | N3 | C7 | 7.2° | 35.0° |
| H11 | C9 | C10 | N4 | 1.0° | 40.0° |
| O4 | C10 | N4 | C14 | 0.1° | 4.2° |
| O4 | C10 | N4 | H19 | 179.9° | 175.8° |
| C12 | C11 | C13 | H12 | 117.1° | 120.0° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C11 | C12 | H13 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C12 | C11 | C13 | H16 | 55.0° | 180.0° |
| C12 | C11 | C13 | H17 | 65.1° | 60.0° |
| C12 | C11 | C13 | H18 | 174.9° | 59.9° |
| C13 | C11 | C12 | H13 | 54.4° | 54.1° |
| C13 | C11 | C12 | H14 | 174.4° | 65.8° |
| C13 | C11 | C12 | H15 | 65.6° | 174.2° |
| C11 | C13 | H16 | H17 | 120.0° | 120.0° |
| C11 | C13 | H16 | H18 | 120.0° | 120.1° |
| C11 | C13 | H17 | H18 | 120.0° | 120.0° |
| H12 | C11 | C12 | H13 | 62.7° | 174.2° |
| H12 | C11 | C12 | H14 | 57.3° | 54.2° |
| H12 | C11 | C12 | H15 | 177.3° | 65.8° |
| H12 | C11 | C13 | H16 | 62.2° | 60.0° |
| H12 | C11 | C13 | H17 | 177.8° | 60.0° |
| H12 | C11 | C13 | H18 | 57.8° | 179.9° |
| H13 | C12 | H14 | H15 | 120.0° | 120.0° |
| H16 | C13 | H17 | H18 | 120.0° | 120.0° |
| C14 | N4 | H19 | C10 | 180.0° | 180.0° |
| N4 | C14 | C15 | C16 | 117.7° | 120.0° |
| N4 | C14 | C15 | H20 | 121.4° | 120.1° |
| N4 | C14 | C16 | H20 | 118.0° | 120.1° |
| N4 | C14 | C15 | O5 | 81.3° | 0.1° |
| N4 | C14 | C16 | C17 | 77.2° | 65.0° |
| N4 | C14 | C16 | H21 | 42.9° | 55.0° |
| N4 | C14 | C16 | H22 | 162.7° | 175.0° |
| N4 | C14 | C15 | N6 | 98.2° | 180.0° |
| H19 | N4 | C14 | C15 | 105.2° | 25.0° |
| H19 | N4 | C14 | C16 | 16.3° | 95.0° |
| H19 | N4 | C14 | H20 | 133.8° | 145.0° |
| C15 | C14 | C16 | H20 | 121.1° | 119.9° |
| C14 | C15 | O5 | N6 | 179.4° | 180.0° |
| C15 | C14 | C16 | C17 | 162.0° | 175.0° |
| C15 | C14 | C16 | H21 | 77.9° | 65.0° |
| C15 | C14 | C16 | H22 | 41.8° | 54.9° |
| C14 | C15 | N6 | C21 | 178.1° | 180.0° |
| C14 | C15 | N6 | H33 | 1.9° | 0.0° |
| C15 | C14 | N4 | C10 | 74.8° | 155.0° |
| C16 | C14 | C15 | O5 | 36.4° | 120.1° |
| C14 | C16 | C17 | H21 | 120.1° | 120.0° |
| C14 | C16 | C17 | H22 | 120.1° | 120.1° |
| C14 | C16 | H21 | H22 | 119.6° | 120.0° |
| C14 | C16 | C17 | C18 | 148.5° | 175.0° |
| C14 | C16 | C17 | C19 | 26.0° | 65.1° |
| C14 | C16 | C17 | H23 | 93.7° | 54.9° |
| C16 | C14 | N4 | C10 | 163.7° | 85.0° |
| C16 | C14 | C15 | N6 | 144.1° | 60.0° |
| H20 | C14 | C15 | O5 | 157.3° | 120.0° |
| H20 | C14 | C16 | C17 | 40.9° | 55.1° |
| H20 | C14 | C16 | H21 | 161.0° | 175.0° |
| H20 | C14 | C16 | H22 | 79.2° | 65.0° |
| H20 | C14 | N4 | C10 | 46.2° | 35.0° |
| H20 | C14 | C15 | N6 | 23.2° | 59.9° |
| O5 | C15 | N6 | C21 | 1.4° | 0.0° |
| O5 | C15 | N6 | H33 | 178.6° | 179.9° |
| C17 | C16 | H21 | H22 | 119.7° | 120.0° |
| C16 | C17 | C18 | C19 | 124.9° | 120.0° |
| C16 | C17 | C18 | H23 | 117.7° | 120.1° |
| C16 | C17 | C19 | H23 | 119.7° | 120.1° |
| C16 | C17 | C18 | H24 | 180.0° | 60.0° |
| C16 | C17 | C18 | H25 | 60.0° | 180.0° |
| C16 | C17 | C18 | H26 | 60.0° | 60.0° |
| C16 | C17 | C19 | H27 | 180.0° | 60.0° |
| C16 | C17 | C19 | H28 | 60.0° | 180.0° |
| C16 | C17 | C19 | H29 | 60.0° | 60.0° |
| H21 | C16 | C17 | C18 | 91.4° | 55.0° |
| H21 | C16 | C17 | C19 | 146.1° | 175.0° |
| H21 | C16 | C17 | H23 | 26.4° | 65.0° |
| H22 | C16 | C17 | C18 | 28.4° | 64.9° |
| H22 | C16 | C17 | C19 | 94.1° | 55.0° |
| H22 | C16 | C17 | H23 | 146.2° | 175.0° |
| C18 | C17 | C19 | H23 | 117.5° | 119.9° |
| C17 | C18 | H24 | H25 | 120.0° | 120.0° |
| C17 | C18 | H24 | H26 | 120.0° | 120.0° |
| C17 | C18 | H25 | H26 | 120.0° | 120.0° |
| C18 | C17 | C19 | H27 | 57.2° | 180.0° |
| C18 | C17 | C19 | H28 | 62.9° | 60.0° |
| C18 | C17 | C19 | H29 | 177.1° | 60.0° |
| C19 | C17 | C18 | H24 | 55.1° | 60.0° |
| C19 | C17 | C18 | H25 | 175.1° | 60.0° |
| C19 | C17 | C18 | H26 | 64.9° | 180.0° |
| C17 | C19 | H27 | H28 | 120.0° | 120.0° |
| C17 | C19 | H27 | H29 | 120.0° | 119.9° |
| C17 | C19 | H28 | H29 | 120.0° | 120.0° |
| H23 | C17 | C18 | H24 | 62.2° | 179.9° |
| H23 | C17 | C18 | H25 | 57.7° | 59.9° |
| H23 | C17 | C18 | H26 | 177.7° | 60.1° |
| H23 | C17 | C19 | H27 | 60.3° | 60.1° |
| H23 | C17 | C19 | H28 | 179.6° | 59.9° |
| H23 | C17 | C19 | H29 | 59.6° | 180.0° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H27 | C19 | H28 | H29 | 119.9° | 120.1° |
| O6 | C24 | N7 | C23 | 179.6° | 179.9° |
| O6 | C24 | C23 | C22 | 28.0° | 0.1° |
| O6 | C24 | C23 | H36 | 147.7° | 120.1° |
| O6 | C24 | C23 | H37 | 91.6° | 120.0° |
| O6 | C24 | N7 | H38 | 0.0° | 180.0° |
| O6 | C24 | N7 | H39 | 180.0° | 0.1° |
| N7 | C24 | C23 | C22 | 151.6° | 180.0° |
| N7 | C24 | C23 | H36 | 32.0° | 60.0° |
| N7 | C24 | C23 | H37 | 88.7° | 59.9° |
| C24 | N7 | H38 | H39 | 180.0° | 179.9° |
| C24 | C23 | C22 | H36 | 119.6° | 120.0° |
| C24 | C23 | C22 | H37 | 119.6° | 120.1° |
| C24 | C23 | C22 | C21 | 170.3° | 180.0° |
| C24 | C23 | C22 | H34 | 69.4° | 60.0° |
| C24 | C23 | C22 | H35 | 50.1° | 60.0° |
| C24 | C23 | H36 | H37 | 121.1° | 120.0° |
| C23 | C24 | N7 | H38 | 179.6° | 0.1° |
| C23 | C24 | N7 | H39 | 0.4° | 180.0° |
| C23 | C22 | C21 | H34 | 120.2° | 120.0° |
| C23 | C22 | C21 | H35 | 120.2° | 120.1° |
| C23 | C22 | C21 | N6 | 136.7° | 65.0° |
| C23 | C22 | C21 | C20 | 99.8° | 175.0° |
| C23 | C22 | C21 | H32 | 19.8° | 55.0° |
| C23 | C22 | H34 | H35 | 119.4° | 120.0° |
| C22 | C23 | H36 | H37 | 121.1° | 120.0° |
| C22 | C21 | N6 | C20 | 117.4° | 120.0° |
| C22 | C21 | N6 | H32 | 116.2° | 119.9° |
| C22 | C21 | C20 | H32 | 119.5° | 119.9° |
| C22 | C21 | C20 | N5 | 103.6° | 120.0° |
| C22 | C21 | C20 | H30 | 76.4° | 60.0° |
| C22 | C21 | N6 | H33 | 25.7° | 25.0° |
| C21 | C22 | H34 | H35 | 119.4° | 119.9° |
| C21 | C22 | C23 | H36 | 50.7° | 60.0° |
| C21 | C22 | C23 | H37 | 70.0° | 59.9° |
| C22 | C21 | N6 | C15 | 154.3° | 155.0° |
| N6 | C21 | C20 | H32 | 126.7° | 120.0° |
| N6 | C21 | C20 | N5 | 142.6° | 0.0° |
| N6 | C21 | C20 | H30 | 37.4° | 180.0° |
| C21 | N6 | H33 | C15 | 180.0° | 180.0° |
| N6 | C21 | C22 | H34 | 103.1° | 55.1° |
| N6 | C21 | C22 | H35 | 16.5° | 175.0° |
| C21 | C20 | N5 | H30 | 180.0° | 180.0° |
| C21 | C20 | N5 | H31 | 180.0° | 180.0° |
| C20 | C21 | N6 | H33 | 91.6° | 95.0° |
| C20 | C21 | C22 | H34 | 20.4° | 65.0° |
| C20 | C21 | C22 | H35 | 140.0° | 55.0° |
| C20 | C21 | N6 | C15 | 88.3° | 85.0° |
| N5 | C20 | C21 | H32 | 15.9° | 120.0° |
| H30 | C20 | N5 | H31 | 0.0° | 0.0° |
| H30 | C20 | C21 | H32 | 164.1° | 59.9° |
| H32 | C21 | N6 | H33 | 141.9° | 144.9° |
| H32 | C21 | C22 | H34 | 140.0° | 175.0° |
| H32 | C21 | C22 | H35 | 100.4° | 65.1° |
| H32 | C21 | N6 | C15 | 38.1° | 35.0° |
| H34 | C22 | C23 | H36 | 170.9° | 180.0° |
| H34 | C22 | C23 | H37 | 50.2° | 60.1° |
| H35 | C22 | C23 | H36 | 69.5° | 60.0° |
| H35 | C22 | C23 | H37 | 169.8° | 180.0° |
