PRD_000465
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C5 | doub | 1.30Å | 1.34Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| O1 | C6 | doub | 1.22Å | 1.23Å | |
| O2 | C7 | doub | 1.22Å | 1.24Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | N3 | sing | 1.46Å | 1.47Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.35Å | 1.33Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | C5 | sing | 1.37Å | 1.33Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | C5 | sing | 1.38Å | 1.34Å | |
| N4 | C6 | sing | 1.35Å | 1.34Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N5 | C8 | sing | 1.45Å | 1.47Å | |
| N5 | H14 | sing | 0.99Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | N6 | sing | 1.46Å | 1.48Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| N6 | C10 | sing | 1.48Å | 1.49Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| N7 | C19 | sing | 1.48Å | 1.49Å | |
| N7 | H27 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | O4 | doub | 1.21Å | 1.25Å | |
| C20 | O6 | sing | 1.34Å | 1.26Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | O5 | doub | 1.21Å | 1.24Å | |
| O6 | H31 | sing | 0.97Å | 0.95Å | |
| N8 | C23 | sing | 1.48Å | 1.48Å | |
| N8 | H32 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | O7 | doub | 1.21Å | 1.25Å | |
| C24 | O9 | sing | 1.34Å | 1.25Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | O8 | doub | 1.21Å | 1.24Å | |
| O9 | H36 | sing | 0.97Å | 0.95Å | |
| N9 | C27 | sing | 1.48Å | 1.48Å | |
| N9 | H37 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.54Å | 1.54Å | |
| C27 | C29 | sing | 1.50Å | 1.54Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | O10 | doub | 1.23Å | 1.23Å | |
| C7 | N6 | sing | 1.36Å | 1.36Å | |
| C11 | N7 | sing | 1.37Å | 1.34Å | |
| C22 | N8 | sing | 1.37Å | 1.34Å | |
| C26 | N9 | sing | 1.37Å | 1.34Å | |
| C29 | N5 | sing | 1.33Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | H1 | 109.5° | 109.4° |
| N2 | C1 | H2 | 109.4° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| C1 | N2 | C6 | 118.3° | 120.0° |
| C1 | N2 | H11 | 120.9° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| C5 | N1 | H4 | 112.0° | 120.0° |
| N1 | C5 | N3 | 120.4° | 120.0° |
| N1 | C5 | N4 | 120.7° | 120.0° |
| O1 | C6 | N2 | 121.8° | 120.0° |
| O1 | C6 | N4 | 122.3° | 120.0° |
| O2 | C7 | C8 | 118.9° | 119.2° |
| O2 | C7 | N6 | 123.4° | 120.1° |
| C3 | C2 | C4 | 110.5° | 109.5° |
| C3 | C2 | H5 | 109.2° | 109.5° |
| C3 | C2 | H6 | 109.2° | 109.4° |
| C2 | C3 | N3 | 110.0° | 109.5° |
| C2 | C3 | H7 | 109.3° | 109.4° |
| C2 | C3 | H8 | 109.3° | 109.4° |
| C4 | C2 | H5 | 109.2° | 109.4° |
| C4 | C2 | H6 | 109.2° | 109.5° |
| C2 | C4 | C8 | 110.7° | 109.5° |
| C2 | C4 | H9 | 109.1° | 109.5° |
| C2 | C4 | H10 | 109.2° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| N3 | C3 | H7 | 109.4° | 109.4° |
| N3 | C3 | H8 | 109.3° | 109.5° |
| C3 | N3 | C5 | 121.0° | 120.0° |
| C3 | N3 | H12 | 119.5° | 120.0° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| C8 | C4 | H9 | 109.2° | 109.5° |
| C8 | C4 | H10 | 109.2° | 109.5° |
| C4 | C8 | N5 | 107.3° | 111.6° |
| C4 | C8 | C7 | 109.4° | 108.3° |
| C4 | C8 | H15 | 110.3° | 109.1° |
| H9 | C4 | H10 | 109.5° | 109.4° |
| C6 | N2 | H11 | 120.8° | 119.9° |
| N2 | C6 | N4 | 115.8° | 120.0° |
| C5 | N3 | H12 | 119.5° | 120.0° |
| N3 | C5 | N4 | 118.7° | 120.0° |
| C5 | N4 | C6 | 123.0° | 120.0° |
| C5 | N4 | H13 | 118.5° | 120.0° |
| C6 | N4 | H13 | 118.5° | 120.0° |
| C8 | N5 | H14 | 118.7° | 116.3° |
| N5 | C8 | C7 | 108.3° | 109.2° |
| N5 | C8 | H15 | 111.2° | 109.0° |
| C8 | N5 | C29 | 122.4° | 127.7° |
| H14 | N5 | C29 | 118.8° | 116.0° |
| C7 | C8 | H15 | 110.2° | 109.7° |
| C8 | C7 | N6 | 117.6° | 120.6° |
| N6 | C9 | H16 | 109.5° | 109.5° |
| N6 | C9 | H17 | 109.5° | 109.5° |
| N6 | C9 | H18 | 109.4° | 109.4° |
| C9 | N6 | C10 | 122.6° | 120.9° |
| C9 | N6 | C7 | 114.5° | 123.8° |
| H16 | C9 | H17 | 109.4° | 109.5° |
| H16 | C9 | H18 | 109.5° | 109.4° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| N6 | C10 | C11 | 110.4° | 108.3° |
| N6 | C10 | C12 | 110.2° | 109.4° |
| N6 | C10 | H19 | 109.5° | 109.7° |
| C10 | N6 | C7 | 122.9° | 115.3° |
| C11 | C10 | C12 | 109.0° | 109.6° |
| C11 | C10 | H19 | 108.8° | 109.9° |
| C10 | C11 | O3 | 120.7° | 120.4° |
| C10 | C11 | N7 | 115.6° | 118.6° |
| C12 | C10 | H19 | 108.9° | 109.9° |
| C10 | C12 | C13 | 112.3° | 109.5° |
| C10 | C12 | H20 | 108.7° | 109.5° |
| C10 | C12 | H21 | 108.8° | 109.5° |
| O3 | C11 | N7 | 123.7° | 121.0° |
| C13 | C12 | H20 | 108.7° | 109.5° |
| C13 | C12 | H21 | 108.8° | 109.5° |
| C12 | C13 | C14 | 120.3° | 120.1° |
| C12 | C13 | C18 | 119.7° | 120.0° |
| H20 | C12 | H21 | 109.5° | 109.4° |
| C14 | C13 | C18 | 120.0° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C13 | C14 | H22 | 120.1° | 120.0° |
| C13 | C18 | C17 | 120.1° | 120.0° |
| C13 | C18 | H26 | 119.9° | 120.0° |
| C15 | C14 | H22 | 120.1° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | H23 | 119.9° | 120.0° |
| C16 | C15 | H23 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C15 | C16 | H24 | 120.0° | 120.0° |
| C17 | C16 | H24 | 120.0° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C16 | C17 | H25 | 120.1° | 120.0° |
| C18 | C17 | H25 | 120.0° | 120.0° |
| C17 | C18 | H26 | 119.9° | 120.0° |
| C19 | N7 | H27 | 118.6° | 122.4° |
| N7 | C19 | C20 | 111.6° | 109.5° |
| N7 | C19 | C21 | 109.7° | 108.6° |
| N7 | C19 | H28 | 109.2° | 110.0° |
| C19 | N7 | C11 | 122.9° | 115.1° |
| H27 | N7 | C11 | 118.5° | 122.4° |
| C20 | C19 | C21 | 109.0° | 109.3° |
| C20 | C19 | H28 | 108.6° | 109.5° |
| C19 | C20 | O4 | 117.3° | 120.0° |
| C19 | C20 | O6 | 116.8° | 120.0° |
| C21 | C19 | H28 | 108.7° | 109.9° |
| C19 | C21 | C22 | 111.7° | 110.0° |
| C19 | C21 | H29 | 108.9° | 109.5° |
| C19 | C21 | H30 | 108.9° | 109.4° |
| O4 | C20 | O6 | 125.8° | 120.0° |
| C20 | O6 | H31 | 109.5° | 117.0° |
| C22 | C21 | H29 | 108.9° | 109.4° |
| C22 | C21 | H30 | 108.9° | 109.3° |
| C21 | C22 | O5 | 121.0° | 120.8° |
| C21 | C22 | N8 | 114.6° | 118.0° |
| H29 | C21 | H30 | 109.5° | 109.3° |
| O5 | C22 | N8 | 124.4° | 121.2° |
| C23 | N8 | H32 | 118.7° | 122.3° |
| N8 | C23 | C24 | 109.8° | 109.5° |
| N8 | C23 | C25 | 109.8° | 108.5° |
| N8 | C23 | H33 | 109.6° | 110.2° |
| C23 | N8 | C22 | 122.6° | 115.5° |
| H32 | N8 | C22 | 118.7° | 122.2° |
| C24 | C23 | C25 | 110.0° | 109.3° |
| C24 | C23 | H33 | 108.8° | 109.4° |
| C23 | C24 | O7 | 117.3° | 119.9° |
| C23 | C24 | O9 | 116.8° | 120.1° |
| C25 | C23 | H33 | 108.9° | 109.8° |
| C23 | C25 | C26 | 109.8° | 109.6° |
| C23 | C25 | H34 | 109.4° | 109.4° |
| C23 | C25 | H35 | 109.4° | 109.6° |
| O7 | C24 | O9 | 125.9° | 120.0° |
| C24 | O9 | H36 | 109.5° | 117.0° |
| C26 | C25 | H34 | 109.4° | 109.4° |
| C26 | C25 | H35 | 109.4° | 109.4° |
| C25 | C26 | O8 | 120.9° | 120.6° |
| C25 | C26 | N9 | 114.6° | 118.2° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| O8 | C26 | N9 | 124.4° | 121.1° |
| C27 | N9 | H37 | 118.9° | 122.1° |
| N9 | C27 | C28 | 109.5° | 109.1° |
| N9 | C27 | C29 | 108.5° | 108.5° |
| N9 | C27 | H38 | 110.2° | 110.5° |
| C27 | N9 | C26 | 122.3° | 115.6° |
| H37 | N9 | C26 | 118.8° | 122.3° |
| C28 | C27 | C29 | 109.9° | 109.3° |
| C28 | C27 | H38 | 109.4° | 108.7° |
| C27 | C28 | H39 | 109.5° | 109.4° |
| C27 | C28 | H40 | 109.5° | 109.5° |
| C27 | C28 | H41 | 109.5° | 109.4° |
| C29 | C27 | H38 | 109.4° | 110.8° |
| C27 | C29 | O10 | 121.1° | 117.0° |
| C27 | C29 | N5 | 115.2° | 125.5° |
| H39 | C28 | H40 | 109.4° | 109.5° |
| H39 | C28 | H41 | 109.4° | 109.5° |
| H40 | C28 | H41 | 109.5° | 109.5° |
| O10 | C29 | N5 | 123.7° | 117.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | N2 | C6 | O1 | 1.5° | 0.0° |
| C1 | N2 | C6 | H11 | 180.0° | 179.9° |
| C1 | N2 | C6 | N4 | 178.5° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | N2 | C6 | 180.0° | 60.0° |
| H1 | C1 | N2 | H11 | 0.0° | 120.0° |
| H2 | C1 | N2 | C6 | 60.0° | 59.9° |
| H2 | C1 | N2 | H11 | 120.0° | 120.0° |
| H3 | C1 | N2 | C6 | 60.0° | 180.0° |
| H3 | C1 | N2 | H11 | 120.0° | 0.1° |
| N1 | C5 | N3 | C3 | 5.7° | 6.2° |
| N1 | C5 | N3 | N4 | 175.7° | 180.0° |
| N1 | C5 | N3 | H12 | 174.3° | 173.7° |
| N1 | C5 | N4 | C6 | 7.4° | 173.6° |
| N1 | C5 | N4 | H13 | 172.6° | 6.5° |
| H4 | N1 | C5 | N3 | 175.6° | 175.0° |
| H4 | N1 | C5 | N4 | 0.0° | 5.0° |
| O1 | C6 | N2 | N4 | 177.0° | 180.0° |
| O1 | C6 | N2 | H11 | 178.5° | 180.0° |
| O1 | C6 | N4 | C5 | 2.4° | 5.9° |
| O1 | C6 | N4 | H13 | 177.6° | 174.1° |
| O2 | C7 | C8 | C4 | 73.9° | 99.9° |
| O2 | C7 | C8 | N5 | 42.8° | 21.8° |
| O2 | C7 | C8 | N6 | 177.3° | 177.7° |
| O2 | C7 | C8 | H15 | 164.7° | 141.2° |
| O2 | C7 | N6 | C9 | 5.6° | 157.6° |
| O2 | C7 | N6 | C10 | 176.3° | 23.3° |
| C3 | C2 | C4 | H5 | 120.1° | 120.0° |
| C3 | C2 | C4 | H6 | 120.2° | 120.0° |
| C3 | C2 | H5 | H6 | 119.5° | 120.0° |
| C2 | C3 | N3 | H7 | 120.1° | 120.0° |
| C2 | C3 | N3 | H8 | 120.1° | 120.0° |
| C2 | C3 | H7 | H8 | 119.8° | 120.0° |
| C3 | C2 | C4 | C8 | 171.3° | 173.9° |
| C3 | C2 | C4 | H9 | 68.5° | 66.1° |
| C3 | C2 | C4 | H10 | 51.1° | 53.9° |
| C2 | C3 | N3 | C5 | 140.3° | 180.0° |
| C2 | C3 | N3 | H12 | 39.6° | 0.1° |
| C4 | C2 | H5 | H6 | 119.6° | 120.0° |
| C4 | C2 | C3 | N3 | 176.5° | 174.7° |
| C4 | C2 | C3 | H7 | 63.4° | 54.7° |
| C4 | C2 | C3 | H8 | 56.4° | 65.3° |
| C2 | C4 | C8 | H9 | 120.2° | 120.0° |
| C2 | C4 | C8 | H10 | 120.2° | 120.1° |
| C2 | C4 | H9 | H10 | 119.4° | 120.0° |
| C2 | C4 | C8 | N5 | 58.3° | 173.2° |
| C2 | C4 | C8 | C7 | 175.6° | 66.5° |
| C2 | C4 | C8 | H15 | 63.1° | 52.8° |
| H5 | C2 | C3 | N3 | 63.4° | 54.7° |
| H5 | C2 | C3 | H7 | 56.7° | 65.3° |
| H5 | C2 | C3 | H8 | 176.6° | 174.8° |
| H5 | C2 | C4 | C8 | 51.2° | 53.9° |
| H5 | C2 | C4 | H9 | 171.4° | 173.9° |
| H5 | C2 | C4 | H10 | 69.0° | 66.1° |
| H6 | C2 | C3 | N3 | 56.4° | 65.3° |
| H6 | C2 | C3 | H7 | 176.4° | 174.7° |
| H6 | C2 | C3 | H8 | 63.7° | 54.7° |
| H6 | C2 | C4 | C8 | 68.5° | 66.1° |
| H6 | C2 | C4 | H9 | 51.7° | 53.9° |
| H6 | C2 | C4 | H10 | 171.3° | 173.9° |
| N3 | C3 | H7 | H8 | 119.8° | 120.0° |
| C3 | N3 | C5 | H12 | 180.0° | 179.9° |
| C3 | N3 | C5 | N4 | 178.5° | 173.8° |
| H7 | C3 | N3 | C5 | 20.3° | 60.0° |
| H7 | C3 | N3 | H12 | 159.7° | 120.0° |
| H8 | C3 | N3 | C5 | 99.6° | 60.0° |
| H8 | C3 | N3 | H12 | 80.4° | 119.9° |
| C8 | C4 | H9 | H10 | 119.4° | 120.0° |
| C4 | C8 | N5 | C7 | 118.0° | 119.7° |
| C4 | C8 | N5 | H15 | 120.8° | 120.5° |
| C4 | C8 | N5 | H14 | 13.3° | 129.9° |
| C4 | C8 | C7 | H15 | 121.4° | 118.9° |
| C4 | C8 | C7 | N6 | 108.9° | 77.8° |
| C4 | C8 | N5 | C29 | 166.7° | 50.4° |
| H9 | C4 | C8 | N5 | 178.4° | 66.8° |
| H9 | C4 | C8 | C7 | 64.3° | 53.4° |
| H9 | C4 | C8 | H15 | 57.1° | 172.8° |
| H10 | C4 | C8 | N5 | 62.0° | 53.1° |
| H10 | C4 | C8 | C7 | 55.4° | 173.4° |
| H10 | C4 | C8 | H15 | 176.7° | 67.3° |
| N2 | C6 | N4 | C5 | 179.4° | 174.1° |
| N2 | C6 | N4 | H13 | 0.6° | 5.9° |
| H11 | N2 | C6 | N4 | 1.5° | 0.0° |
| N3 | C5 | N4 | C6 | 176.9° | 6.4° |
| N3 | C5 | N4 | H13 | 3.1° | 173.5° |
| H12 | N3 | C5 | N4 | 1.5° | 6.3° |
| C5 | N4 | C6 | H13 | 180.0° | 180.0° |
| C8 | N5 | H14 | C29 | 180.0° | 179.7° |
| N5 | C8 | C7 | H15 | 121.9° | 119.4° |
| C8 | N5 | C29 | C27 | 179.5° | 56.5° |
| C8 | N5 | C29 | O10 | 1.0° | 123.5° |
| N5 | C8 | C7 | N6 | 134.5° | 160.5° |
| H14 | N5 | C8 | C7 | 104.7° | 10.2° |
| H14 | N5 | C8 | H15 | 134.1° | 109.6° |
| H14 | N5 | C29 | C27 | 0.5° | 123.8° |
| H14 | N5 | C29 | O10 | 179.0° | 56.2° |
| C8 | C7 | N6 | C9 | 177.3° | 24.8° |
| C8 | C7 | N6 | C10 | 0.8° | 154.3° |
| C7 | C8 | N5 | C29 | 75.3° | 170.1° |
| H15 | C8 | C7 | N6 | 12.6° | 41.2° |
| H15 | C8 | N5 | C29 | 45.9° | 70.1° |
| N6 | C9 | H16 | H17 | 120.0° | 120.1° |
| N6 | C9 | H16 | H18 | 120.0° | 119.9° |
| N6 | C9 | H17 | H18 | 120.0° | 120.0° |
| C9 | N6 | C10 | C7 | 178.0° | 179.2° |
| C9 | N6 | C10 | C11 | 60.5° | 97.4° |
| C9 | N6 | C10 | C12 | 60.0° | 22.0° |
| C9 | N6 | C10 | H19 | 179.7° | 142.7° |
| H16 | C9 | H17 | H18 | 120.0° | 120.0° |
| H16 | C9 | N6 | C10 | 180.0° | 174.2° |
| H16 | C9 | N6 | C7 | 1.9° | 4.9° |
| H17 | C9 | N6 | C10 | 60.0° | 54.1° |
| H17 | C9 | N6 | C7 | 121.9° | 125.0° |
| H18 | C9 | N6 | C10 | 60.0° | 65.9° |
| H18 | C9 | N6 | C7 | 118.1° | 115.0° |
| N6 | C10 | C11 | C12 | 121.2° | 119.3° |
| N6 | C10 | C11 | H19 | 120.2° | 119.8° |
| N6 | C10 | C12 | H19 | 120.1° | 120.5° |
| N6 | C10 | C11 | O3 | 119.8° | 77.0° |
| N6 | C10 | C12 | C13 | 63.8° | 174.6° |
| N6 | C10 | C12 | H20 | 56.6° | 54.6° |
| N6 | C10 | C12 | H21 | 175.7° | 65.4° |
| N6 | C10 | C11 | N7 | 61.0° | 102.9° |
| C11 | C10 | C12 | H19 | 118.5° | 120.9° |
| C10 | C11 | O3 | N7 | 179.1° | 179.9° |
| C11 | C10 | C12 | C13 | 174.8° | 66.8° |
| C11 | C10 | C12 | H20 | 64.8° | 173.2° |
| C11 | C10 | C12 | H21 | 54.4° | 53.3° |
| C10 | C11 | N7 | C19 | 179.8° | 179.0° |
| C10 | C11 | N7 | H27 | 0.1° | 0.9° |
| C11 | C10 | N6 | C7 | 121.5° | 81.8° |
| C12 | C10 | C11 | O3 | 1.4° | 42.3° |
| C10 | C12 | C13 | H20 | 120.4° | 120.0° |
| C10 | C12 | C13 | H21 | 120.4° | 120.0° |
| C10 | C12 | H20 | H21 | 118.7° | 120.0° |
| C10 | C12 | C13 | C14 | 93.7° | 94.3° |
| C10 | C12 | C13 | C18 | 87.2° | 85.9° |
| C12 | C10 | N6 | C7 | 118.0° | 158.8° |
| C12 | C10 | C11 | N7 | 177.8° | 137.8° |
| H19 | C10 | C11 | O3 | 120.0° | 163.3° |
| H19 | C10 | C12 | C13 | 56.3° | 54.1° |
| H19 | C10 | C12 | H20 | 176.7° | 65.9° |
| H19 | C10 | C12 | H21 | 64.1° | 174.2° |
| H19 | C10 | N6 | C7 | 1.8° | 38.1° |
| H19 | C10 | C11 | N7 | 59.2° | 16.8° |
| O3 | C11 | N7 | C19 | 0.7° | 1.1° |
| O3 | C11 | N7 | H27 | 179.3° | 179.0° |
| C13 | C12 | H20 | H21 | 118.7° | 120.1° |
| C12 | C13 | C14 | C18 | 179.1° | 179.7° |
| C12 | C13 | C14 | C15 | 178.9° | 180.0° |
| C12 | C13 | C14 | H22 | 1.1° | 0.0° |
| C12 | C13 | C18 | C17 | 179.1° | 179.8° |
| C12 | C13 | C18 | H26 | 0.9° | 0.1° |
| H20 | C12 | C13 | C14 | 26.7° | 25.7° |
| H20 | C12 | C13 | C18 | 152.4° | 154.1° |
| H21 | C12 | C13 | C14 | 145.9° | 145.6° |
| H21 | C12 | C13 | C18 | 33.2° | 34.1° |
| C13 | C14 | C15 | H22 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H23 | 179.8° | 180.0° |
| C14 | C13 | C18 | C17 | 0.0° | 0.5° |
| C14 | C13 | C18 | H26 | 180.0° | 179.8° |
| C18 | C13 | C14 | C15 | 0.2° | 0.3° |
| C18 | C13 | C14 | H22 | 179.8° | 179.7° |
| C13 | C18 | C17 | C16 | 0.1° | 0.5° |
| C13 | C18 | C17 | H26 | 180.0° | 179.7° |
| C13 | C18 | C17 | H25 | 179.9° | 179.7° |
| C14 | C15 | C16 | H23 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H24 | 179.9° | 180.0° |
| H22 | C14 | C15 | C16 | 179.8° | 180.0° |
| H22 | C14 | C15 | H23 | 0.2° | 0.0° |
| C15 | C16 | C17 | H24 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.2° |
| C15 | C16 | C17 | H25 | 180.0° | 180.0° |
| H23 | C15 | C16 | C17 | 179.9° | 180.0° |
| H23 | C15 | C16 | H24 | 0.1° | 0.0° |
| C16 | C17 | C18 | H25 | 180.0° | 179.8° |
| C16 | C17 | C18 | H26 | 179.9° | 179.8° |
| H24 | C16 | C17 | C18 | 180.0° | 179.8° |
| H24 | C16 | C17 | H25 | 0.0° | 0.0° |
| H25 | C17 | C18 | H26 | 0.1° | 0.0° |
| C19 | N7 | H27 | C11 | 180.0° | 179.9° |
| N7 | C19 | C20 | C21 | 121.2° | 118.9° |
| N7 | C19 | C20 | H28 | 120.4° | 120.7° |
| N7 | C19 | C21 | H28 | 119.4° | 120.3° |
| N7 | C19 | C20 | O4 | 31.8° | 20.0° |
| N7 | C19 | C20 | O6 | 148.5° | 160.0° |
| N7 | C19 | C21 | C22 | 70.6° | 88.8° |
| N7 | C19 | C21 | H29 | 49.7° | 31.4° |
| N7 | C19 | C21 | H30 | 169.0° | 151.1° |
| H27 | N7 | C19 | C20 | 118.5° | 90.4° |
| H27 | N7 | C19 | C21 | 2.3° | 28.9° |
| H27 | N7 | C19 | H28 | 121.4° | 149.2° |
| C20 | C19 | C21 | H28 | 118.3° | 120.2° |
| C19 | C20 | O4 | O6 | 179.6° | 179.9° |
| C20 | C19 | C21 | C22 | 167.0° | 151.7° |
| C20 | C19 | C21 | H29 | 72.7° | 88.0° |
| C20 | C19 | C21 | H30 | 46.6° | 31.7° |
| C19 | C20 | O6 | H31 | 179.6° | 180.0° |
| C20 | C19 | N7 | C11 | 61.5° | 89.5° |
| C21 | C19 | C20 | O4 | 89.4° | 98.8° |
| C21 | C19 | C20 | O6 | 90.2° | 81.1° |
| C19 | C21 | C22 | H29 | 120.3° | 120.4° |
| C19 | C21 | C22 | H30 | 120.4° | 120.1° |
| C19 | C21 | H29 | H30 | 119.0° | 119.8° |
| C19 | C21 | C22 | O5 | 20.7° | 11.2° |
| C21 | C19 | N7 | C11 | 177.7° | 151.2° |
| C19 | C21 | C22 | N8 | 160.4° | 168.9° |
| H28 | C19 | C20 | O4 | 152.2° | 140.7° |
| H28 | C19 | C20 | O6 | 28.1° | 39.3° |
| H28 | C19 | C21 | C22 | 48.7° | 31.5° |
| H28 | C19 | C21 | H29 | 169.1° | 151.8° |
| H28 | C19 | C21 | H30 | 71.6° | 88.5° |
| H28 | C19 | N7 | C11 | 58.7° | 30.9° |
| O4 | C20 | O6 | H31 | 0.0° | 0.1° |
| C22 | C21 | H29 | H30 | 118.9° | 119.6° |
| C21 | C22 | O5 | N8 | 178.8° | 179.8° |
| C21 | C22 | N8 | C23 | 179.8° | 179.9° |
| C21 | C22 | N8 | H32 | 0.3° | 0.2° |
| H29 | C21 | C22 | O5 | 141.1° | 131.6° |
| H29 | C21 | C22 | N8 | 40.0° | 48.6° |
| H30 | C21 | C22 | O5 | 99.6° | 108.9° |
| H30 | C21 | C22 | N8 | 79.3° | 71.0° |
| O5 | C22 | N8 | C23 | 0.9° | 0.2° |
| O5 | C22 | N8 | H32 | 179.2° | 179.7° |
| C23 | N8 | H32 | C22 | 180.0° | 179.9° |
| N8 | C23 | C24 | C25 | 120.9° | 118.8° |
| N8 | C23 | C24 | H33 | 119.9° | 120.9° |
| N8 | C23 | C25 | H33 | 120.0° | 120.5° |
| N8 | C23 | C24 | O7 | 54.1° | 20.0° |
| N8 | C23 | C24 | O9 | 125.5° | 160.0° |
| N8 | C23 | C25 | C26 | 60.8° | 117.4° |
| N8 | C23 | C25 | H34 | 59.2° | 2.5° |
| N8 | C23 | C25 | H35 | 179.2° | 122.6° |
| H32 | N8 | C23 | C24 | 83.1° | 59.9° |
| H32 | N8 | C23 | C25 | 38.0° | 59.4° |
| H32 | N8 | C23 | H33 | 157.5° | 179.7° |
| C24 | C23 | C25 | H33 | 119.1° | 120.1° |
| C23 | C24 | O7 | O9 | 179.6° | 179.9° |
| C24 | C23 | C25 | C26 | 178.3° | 123.2° |
| C24 | C23 | C25 | H34 | 61.7° | 116.9° |
| C24 | C23 | C25 | H35 | 58.3° | 3.2° |
| C23 | C24 | O9 | H36 | 179.7° | 180.0° |
| C24 | C23 | N8 | C22 | 96.9° | 120.0° |
| C25 | C23 | C24 | O7 | 66.8° | 98.8° |
| C25 | C23 | C24 | O9 | 113.6° | 81.2° |
| C23 | C25 | C26 | H34 | 120.0° | 119.9° |
| C23 | C25 | C26 | H35 | 120.1° | 120.1° |
| C23 | C25 | H34 | H35 | 119.9° | 120.1° |
| C23 | C25 | C26 | O8 | 70.7° | 42.5° |
| C25 | C23 | N8 | C22 | 142.0° | 120.7° |
| C23 | C25 | C26 | N9 | 108.3° | 137.7° |
| H33 | C23 | C24 | O7 | 174.1° | 140.9° |
| H33 | C23 | C24 | O9 | 5.6° | 39.1° |
| H33 | C23 | C25 | C26 | 59.2° | 3.1° |
| H33 | C23 | C25 | H34 | 179.2° | 123.0° |
| H33 | C23 | C25 | H35 | 60.9° | 116.9° |
| H33 | C23 | N8 | C22 | 22.5° | 0.4° |
| O7 | C24 | O9 | H36 | 0.0° | 0.0° |
| C26 | C25 | H34 | H35 | 119.8° | 119.9° |
| C25 | C26 | O8 | N9 | 178.9° | 179.8° |
| C25 | C26 | N9 | C27 | 179.1° | 179.1° |
| C25 | C26 | N9 | H37 | 0.9° | 1.1° |
| H34 | C25 | C26 | O8 | 169.2° | 162.4° |
| H34 | C25 | C26 | N9 | 11.7° | 17.8° |
| H35 | C25 | C26 | O8 | 49.3° | 77.7° |
| H35 | C25 | C26 | N9 | 131.6° | 102.2° |
| O8 | C26 | N9 | C27 | 0.1° | 1.1° |
| O8 | C26 | N9 | H37 | 179.9° | 178.8° |
| C27 | N9 | H37 | C26 | 180.0° | 179.9° |
| N9 | C27 | C28 | C29 | 119.1° | 118.4° |
| N9 | C27 | C28 | H38 | 120.8° | 120.5° |
| N9 | C27 | C29 | H38 | 120.2° | 121.4° |
| N9 | C27 | C28 | H39 | 180.0° | 60.0° |
| N9 | C27 | C28 | H40 | 60.0° | 180.0° |
| N9 | C27 | C28 | H41 | 60.0° | 59.9° |
| N9 | C27 | C29 | O10 | 33.3° | 124.9° |
| N9 | C27 | C29 | N5 | 145.4° | 55.1° |
| H37 | N9 | C27 | C28 | 6.8° | 83.0° |
| H37 | N9 | C27 | C29 | 113.2° | 35.9° |
| H37 | N9 | C27 | H38 | 127.1° | 157.5° |
| C28 | C27 | C29 | H38 | 120.1° | 119.8° |
| C27 | C28 | H39 | H40 | 120.0° | 120.0° |
| C27 | C28 | H39 | H41 | 120.0° | 119.9° |
| C27 | C28 | H40 | H41 | 120.0° | 120.0° |
| C28 | C27 | C29 | O10 | 86.4° | 6.1° |
| C28 | C27 | N9 | C26 | 173.2° | 96.9° |
| C28 | C27 | C29 | N5 | 95.0° | 173.9° |
| C29 | C27 | C28 | H39 | 60.9° | 178.4° |
| C29 | C27 | C28 | H40 | 59.1° | 61.6° |
| C29 | C27 | C28 | H41 | 179.1° | 58.5° |
| C27 | C29 | O10 | N5 | 178.5° | 180.0° |
| C29 | C27 | N9 | C26 | 66.8° | 144.2° |
| H38 | C27 | C28 | H39 | 59.2° | 60.6° |
| H38 | C27 | C28 | H40 | 179.2° | 59.5° |
| H38 | C27 | C28 | H41 | 60.8° | 179.5° |
| H38 | C27 | C29 | O10 | 153.5° | 113.7° |
| H38 | C27 | N9 | C26 | 52.9° | 22.6° |
| H38 | C27 | C29 | N5 | 25.1° | 66.3° |
| H39 | C28 | H40 | H41 | 119.9° | 120.0° |
