PRD_000464
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | N1 | sing | 1.48Å | 1.47Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | N2 | sing | 1.46Å | 1.47Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | N2 | sing | 1.37Å | 1.33Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | C6 | doub | 1.30Å | 1.33Å | |
| C6 | N4 | sing | 1.38Å | 1.33Å | |
| O2 | C7 | doub | 1.21Å | 1.23Å | |
| C7 | N4 | sing | 1.35Å | 1.34Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| N5 | C9 | sing | 1.47Å | 1.47Å | |
| N5 | C12 | sing | 1.46Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C13 | sing | 1.51Å | 1.53Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| N6 | C14 | sing | 1.47Å | 1.47Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.54Å | 1.53Å | |
| C14 | H23 | sing | 1.08Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.43Å | |
| N7 | C18 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | O6 | doub | 1.21Å | 1.23Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | N8 | sing | 1.34Å | 1.33Å | Aromatic |
| C21 | C22 | doub | 1.35Å | 1.33Å | Aromatic |
| N8 | C23 | doub | 1.31Å | 1.33Å | Aromatic |
| N8 | H29 | sing | 0.97Å | 1.00Å | |
| C22 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | N9 | sing | 1.35Å | 1.33Å | Aromatic |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| N9 | H32 | sing | 0.97Å | 1.00Å | |
| C24 | O7 | doub | 1.21Å | 1.23Å | |
| C24 | O8 | sing | 1.34Å | 1.23Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| O8 | H33 | sing | 0.97Å | 0.95Å | |
| O9 | C26 | doub | 1.21Å | 1.23Å | |
| C25 | C29 | sing | 1.53Å | 1.53Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.50Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | N10 | sing | 1.49Å | 1.47Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| N10 | H41 | sing | 0.97Å | 1.00Å | |
| C1 | N5 | sing | 1.35Å | 1.33Å | |
| C13 | N6 | sing | 1.36Å | 1.33Å | |
| C17 | N7 | sing | 1.34Å | 1.47Å | |
| C15 | N7 | sing | 1.34Å | 1.33Å | |
| C19 | N10 | sing | 1.37Å | 1.33Å | |
| C26 | N1 | sing | 1.37Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 119.3° | 119.4° |
| C1 | C2 | N1 | 108.1° | 107.9° |
| C1 | C2 | C3 | 107.5° | 109.8° |
| C1 | C2 | H2 | 110.2° | 109.8° |
| C2 | C1 | N5 | 120.7° | 121.1° |
| O1 | C1 | N5 | 120.0° | 119.4° |
| C2 | N1 | H1 | 119.8° | 122.5° |
| N1 | C2 | C3 | 109.9° | 109.7° |
| N1 | C2 | H2 | 111.0° | 109.8° |
| C2 | N1 | C26 | 120.3° | 115.0° |
| H1 | N1 | C26 | 119.8° | 122.4° |
| C3 | C2 | H2 | 110.2° | 109.8° |
| C2 | C3 | C5 | 112.8° | 109.5° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| C2 | C3 | H4 | 108.6° | 109.5° |
| C5 | C3 | H3 | 108.6° | 109.5° |
| C5 | C3 | H4 | 108.6° | 109.5° |
| C3 | C5 | C4 | 110.3° | 109.5° |
| C3 | C5 | H8 | 109.2° | 109.4° |
| C3 | C5 | H9 | 109.3° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C5 | C4 | N2 | 108.5° | 109.5° |
| C5 | C4 | H5 | 109.7° | 109.5° |
| C5 | C4 | H6 | 109.7° | 109.5° |
| C4 | C5 | H8 | 109.3° | 109.5° |
| C4 | C5 | H9 | 109.3° | 109.5° |
| N2 | C4 | H5 | 109.7° | 109.4° |
| N2 | C4 | H6 | 109.7° | 109.4° |
| C4 | N2 | C6 | 122.1° | 120.0° |
| C4 | N2 | H7 | 118.9° | 120.0° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| C6 | N2 | H7 | 118.9° | 120.0° |
| N2 | C6 | N3 | 120.6° | 120.0° |
| N2 | C6 | N4 | 118.0° | 120.0° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| N3 | C6 | N4 | 121.3° | 120.0° |
| C6 | N3 | H13 | 112.0° | 120.0° |
| C6 | N4 | C7 | 124.1° | 120.0° |
| C6 | N4 | H14 | 118.0° | 120.0° |
| O2 | C7 | N4 | 120.9° | 120.0° |
| O2 | C7 | C8 | 120.5° | 120.0° |
| N4 | C7 | C8 | 118.6° | 120.0° |
| C7 | N4 | H14 | 117.9° | 120.0° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.4° |
| H10 | C8 | H12 | 109.5° | 109.4° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| C9 | N5 | C12 | 108.8° | 108.9° |
| N5 | C9 | C10 | 102.2° | 107.6° |
| N5 | C9 | C13 | 114.2° | 109.1° |
| N5 | C9 | H15 | 111.0° | 109.9° |
| C9 | N5 | C1 | 120.0° | 124.7° |
| N5 | C12 | C11 | 104.1° | 107.8° |
| N5 | C12 | H20 | 110.8° | 109.8° |
| N5 | C12 | H21 | 110.8° | 109.8° |
| C12 | N5 | C1 | 131.2° | 126.4° |
| C10 | C9 | C13 | 108.7° | 110.1° |
| C10 | C9 | H15 | 110.2° | 110.1° |
| C9 | C10 | C11 | 100.0° | 105.6° |
| C9 | C10 | H16 | 111.8° | 110.3° |
| C9 | C10 | H17 | 111.8° | 110.2° |
| C13 | C9 | H15 | 110.2° | 110.0° |
| C9 | C13 | O3 | 119.2° | 120.4° |
| C9 | C13 | N6 | 118.4° | 119.3° |
| C11 | C10 | H16 | 111.8° | 110.2° |
| C11 | C10 | H17 | 111.8° | 110.2° |
| C10 | C11 | C12 | 98.9° | 106.3° |
| C10 | C11 | H18 | 112.1° | 110.1° |
| C10 | C11 | H19 | 112.1° | 110.1° |
| H16 | C10 | H17 | 109.5° | 110.3° |
| C12 | C11 | H18 | 112.0° | 110.1° |
| C12 | C11 | H19 | 112.1° | 110.1° |
| C11 | C12 | H20 | 110.8° | 109.8° |
| C11 | C12 | H21 | 110.8° | 109.8° |
| H18 | C11 | H19 | 109.5° | 110.1° |
| H20 | C12 | H21 | 109.4° | 109.8° |
| O3 | C13 | N6 | 122.3° | 120.3° |
| C14 | N6 | H22 | 120.3° | 121.3° |
| N6 | C14 | C15 | 110.7° | 109.7° |
| N6 | C14 | C16 | 113.9° | 110.4° |
| N6 | C14 | H23 | 110.6° | 110.6° |
| C14 | N6 | C13 | 119.4° | 117.3° |
| H22 | N6 | C13 | 120.3° | 121.3° |
| C15 | C14 | C16 | 101.9° | 103.5° |
| C15 | C14 | H23 | 109.7° | 111.1° |
| C14 | C15 | O4 | 123.3° | 125.5° |
| C14 | C15 | N7 | 112.4° | 109.0° |
| C16 | C14 | H23 | 109.7° | 111.4° |
| C14 | C16 | C17 | 103.4° | 103.5° |
| C14 | C16 | H24 | 111.0° | 110.6° |
| C14 | C16 | H25 | 111.0° | 110.7° |
| O4 | C15 | N7 | 124.2° | 125.5° |
| C17 | C16 | H24 | 110.9° | 110.7° |
| C17 | C16 | H25 | 111.0° | 110.6° |
| C16 | C17 | O5 | 111.7° | 125.4° |
| C16 | C17 | N7 | 105.9° | 109.2° |
| H24 | C16 | H25 | 109.5° | 110.6° |
| O5 | C17 | N7 | 110.2° | 125.4° |
| N7 | C18 | C19 | 105.9° | 109.0° |
| N7 | C18 | C20 | 110.7° | 109.6° |
| N7 | C18 | H26 | 110.2° | 109.6° |
| C18 | N7 | C17 | 131.8° | 123.3° |
| C18 | N7 | C15 | 118.9° | 122.3° |
| C19 | C18 | C20 | 111.2° | 109.5° |
| C19 | C18 | H26 | 109.4° | 109.5° |
| C18 | C19 | O6 | 121.3° | 120.5° |
| C18 | C19 | N10 | 114.1° | 119.0° |
| C20 | C18 | H26 | 109.4° | 109.6° |
| C18 | C20 | C21 | 112.8° | 109.5° |
| C18 | C20 | H27 | 108.6° | 109.5° |
| C18 | C20 | H28 | 108.6° | 109.5° |
| O6 | C19 | N10 | 124.6° | 120.5° |
| C21 | C20 | H27 | 108.6° | 109.4° |
| C21 | C20 | H28 | 108.6° | 109.5° |
| C20 | C21 | N8 | 124.9° | 126.0° |
| C20 | C21 | C22 | 127.3° | 126.0° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| N8 | C21 | C22 | 107.8° | 108.0° |
| C21 | N8 | C23 | 108.2° | 109.3° |
| C21 | N8 | H29 | 125.9° | 125.4° |
| C21 | C22 | N9 | 108.2° | 106.8° |
| C21 | C22 | H30 | 125.9° | 126.6° |
| C23 | N8 | H29 | 125.9° | 125.4° |
| N8 | C23 | N9 | 108.0° | 108.7° |
| N8 | C23 | H31 | 126.0° | 125.6° |
| N9 | C22 | H30 | 125.9° | 126.6° |
| C22 | N9 | C23 | 107.9° | 107.2° |
| C22 | N9 | H32 | 126.1° | 126.4° |
| N9 | C23 | H31 | 126.0° | 125.7° |
| C23 | N9 | H32 | 126.0° | 126.4° |
| O7 | C24 | O8 | 118.9° | 120.0° |
| O7 | C24 | C25 | 120.6° | 120.0° |
| O8 | C24 | C25 | 120.6° | 120.0° |
| C24 | O8 | H33 | 109.5° | 117.0° |
| C24 | C25 | C29 | 112.5° | 109.4° |
| C24 | C25 | H34 | 108.7° | 109.5° |
| C24 | C25 | H35 | 108.7° | 109.5° |
| O9 | C26 | C27 | 119.2° | 120.4° |
| O9 | C26 | N1 | 122.6° | 119.8° |
| C29 | C25 | H34 | 108.7° | 109.4° |
| C29 | C25 | H35 | 108.7° | 109.5° |
| C25 | C29 | C28 | 111.6° | 109.5° |
| C25 | C29 | H39 | 108.9° | 109.4° |
| C25 | C29 | H40 | 108.9° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| C26 | C27 | C28 | 113.3° | 109.8° |
| C26 | C27 | N10 | 103.6° | 108.2° |
| C26 | C27 | H36 | 108.4° | 109.8° |
| C27 | C26 | N1 | 118.2° | 119.8° |
| C28 | C27 | N10 | 113.8° | 109.6° |
| C28 | C27 | H36 | 108.3° | 109.8° |
| C27 | C28 | C29 | 114.1° | 109.5° |
| C27 | C28 | H37 | 108.3° | 109.5° |
| C27 | C28 | H38 | 108.3° | 109.5° |
| N10 | C27 | H36 | 109.1° | 109.7° |
| C27 | N10 | H41 | 118.4° | 122.9° |
| C27 | N10 | C19 | 123.1° | 114.1° |
| C29 | C28 | H37 | 108.3° | 109.5° |
| C29 | C28 | H38 | 108.3° | 109.5° |
| C28 | C29 | H39 | 109.0° | 109.5° |
| C28 | C29 | H40 | 108.9° | 109.5° |
| H37 | C28 | H38 | 109.5° | 109.4° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| H41 | N10 | C19 | 118.4° | 122.9° |
| C17 | N7 | C15 | 109.2° | 114.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | N5 | 179.1° | 179.8° |
| C1 | C2 | N1 | C3 | 117.0° | 119.5° |
| C1 | C2 | N1 | H2 | 120.9° | 119.6° |
| C1 | C2 | N1 | H1 | 115.3° | 109.6° |
| C1 | C2 | C3 | H2 | 120.1° | 120.8° |
| C1 | C2 | C3 | C5 | 161.3° | 178.9° |
| C1 | C2 | C3 | H3 | 78.2° | 58.9° |
| C1 | C2 | C3 | H4 | 40.8° | 61.1° |
| C2 | C1 | N5 | C9 | 178.5° | 179.2° |
| C2 | C1 | N5 | C12 | 0.7° | 1.3° |
| C1 | C2 | N1 | C26 | 64.7° | 70.3° |
| O1 | C1 | C2 | N1 | 53.8° | 16.3° |
| O1 | C1 | C2 | C3 | 64.8° | 135.8° |
| O1 | C1 | C2 | H2 | 175.2° | 103.4° |
| O1 | C1 | N5 | C9 | 2.5° | 0.5° |
| O1 | C1 | N5 | C12 | 179.8° | 178.9° |
| C2 | N1 | H1 | C26 | 180.0° | 179.9° |
| N1 | C2 | C3 | H2 | 122.5° | 120.8° |
| N1 | C2 | C3 | C5 | 81.3° | 60.5° |
| N1 | C2 | C3 | H3 | 39.2° | 59.5° |
| N1 | C2 | C3 | H4 | 158.2° | 179.5° |
| C2 | N1 | C26 | O9 | 0.7° | 20.0° |
| C2 | N1 | C26 | C27 | 178.6° | 159.8° |
| N1 | C2 | C1 | N5 | 125.3° | 163.5° |
| H1 | N1 | C2 | C3 | 1.7° | 10.0° |
| H1 | N1 | C2 | H2 | 123.8° | 130.8° |
| H1 | N1 | C26 | O9 | 179.3° | 160.1° |
| H1 | N1 | C26 | C27 | 1.4° | 20.1° |
| C2 | C3 | C5 | H3 | 120.5° | 120.0° |
| C2 | C3 | C5 | H4 | 120.5° | 120.0° |
| C2 | C3 | H3 | H4 | 118.5° | 120.0° |
| C2 | C3 | C5 | C4 | 173.3° | 180.0° |
| C2 | C3 | C5 | H8 | 66.6° | 60.0° |
| C2 | C3 | C5 | H9 | 53.1° | 60.0° |
| C3 | C2 | C1 | N5 | 116.1° | 43.9° |
| C3 | C2 | N1 | C26 | 178.2° | 170.1° |
| H2 | C2 | C3 | C5 | 41.2° | 60.3° |
| H2 | C2 | C3 | H3 | 161.7° | 179.7° |
| H2 | C2 | C3 | H4 | 79.3° | 59.7° |
| H2 | C2 | C1 | N5 | 3.9° | 76.9° |
| H2 | C2 | N1 | C26 | 56.2° | 49.3° |
| C5 | C3 | H3 | H4 | 118.5° | 120.0° |
| C3 | C5 | C4 | H8 | 120.1° | 120.0° |
| C3 | C5 | C4 | H9 | 120.1° | 119.9° |
| C3 | C5 | C4 | N2 | 66.7° | 180.0° |
| C3 | C5 | C4 | H5 | 53.2° | 60.0° |
| C3 | C5 | C4 | H6 | 173.5° | 60.0° |
| C3 | C5 | H8 | H9 | 119.6° | 120.0° |
| H3 | C3 | C5 | C4 | 52.8° | 60.0° |
| H3 | C3 | C5 | H8 | 172.9° | 180.0° |
| H3 | C3 | C5 | H9 | 67.3° | 60.0° |
| H4 | C3 | C5 | C4 | 66.2° | 60.0° |
| H4 | C3 | C5 | H8 | 53.9° | 60.0° |
| H4 | C3 | C5 | H9 | 173.6° | 180.0° |
| C5 | C4 | N2 | H5 | 119.8° | 120.0° |
| C5 | C4 | N2 | H6 | 119.9° | 120.1° |
| C5 | C4 | H5 | H6 | 120.5° | 120.1° |
| C5 | C4 | N2 | C6 | 175.3° | 180.0° |
| C5 | C4 | N2 | H7 | 4.7° | 0.0° |
| C4 | C5 | H8 | H9 | 119.7° | 120.1° |
| N2 | C4 | H5 | H6 | 120.4° | 119.9° |
| C4 | N2 | C6 | H7 | 180.0° | 180.0° |
| N2 | C4 | C5 | H8 | 173.2° | 60.0° |
| N2 | C4 | C5 | H9 | 53.4° | 60.1° |
| C4 | N2 | C6 | N3 | 2.8° | 5.9° |
| C4 | N2 | C6 | N4 | 179.0° | 174.1° |
| H5 | C4 | N2 | C6 | 64.9° | 60.0° |
| H5 | C4 | N2 | H7 | 115.1° | 120.0° |
| H5 | C4 | C5 | H8 | 66.9° | 59.9° |
| H5 | C4 | C5 | H9 | 173.3° | 180.0° |
| H6 | C4 | N2 | C6 | 55.4° | 59.9° |
| H6 | C4 | N2 | H7 | 124.6° | 120.0° |
| H6 | C4 | C5 | H8 | 53.4° | 180.0° |
| H6 | C4 | C5 | H9 | 66.4° | 59.9° |
| N2 | C6 | N3 | N4 | 178.2° | 180.0° |
| N2 | C6 | N4 | C7 | 179.2° | 4.9° |
| N2 | C6 | N3 | H13 | 178.2° | 175.0° |
| N2 | C6 | N4 | H14 | 0.8° | 175.1° |
| H7 | N2 | C6 | N3 | 177.2° | 174.1° |
| H7 | N2 | C6 | N4 | 1.0° | 5.8° |
| N3 | C6 | N4 | C7 | 2.5° | 175.2° |
| N3 | C6 | N4 | H14 | 177.5° | 4.8° |
| C6 | N4 | C7 | O2 | 0.8° | 4.8° |
| C6 | N4 | C7 | H14 | 180.0° | 180.0° |
| C6 | N4 | C7 | C8 | 179.8° | 175.2° |
| N4 | C6 | N3 | H13 | 0.0° | 5.0° |
| O2 | C7 | N4 | C8 | 178.9° | 180.0° |
| O2 | C7 | C8 | H10 | 0.0° | 180.0° |
| O2 | C7 | C8 | H11 | 120.0° | 60.0° |
| O2 | C7 | C8 | H12 | 120.0° | 60.0° |
| O2 | C7 | N4 | H14 | 179.1° | 175.2° |
| N4 | C7 | C8 | H10 | 179.0° | 0.0° |
| N4 | C7 | C8 | H11 | 58.9° | 120.0° |
| N4 | C7 | C8 | H12 | 61.0° | 120.0° |
| C7 | C8 | H10 | H11 | 120.0° | 120.0° |
| C7 | C8 | H10 | H12 | 120.0° | 120.1° |
| C7 | C8 | H11 | H12 | 120.0° | 120.0° |
| C8 | C7 | N4 | H14 | 0.2° | 4.8° |
| H10 | C8 | H11 | H12 | 120.0° | 119.9° |
| C9 | N5 | C12 | C1 | 177.9° | 179.5° |
| N5 | C9 | C10 | C13 | 121.1° | 118.8° |
| N5 | C9 | C10 | H15 | 118.1° | 119.8° |
| N5 | C9 | C13 | H15 | 125.8° | 120.6° |
| N5 | C9 | C10 | C11 | 42.9° | 15.1° |
| N5 | C9 | C10 | H16 | 75.5° | 134.1° |
| N5 | C9 | C10 | H17 | 161.4° | 103.9° |
| C9 | N5 | C12 | C11 | 12.7° | 17.0° |
| C9 | N5 | C12 | H20 | 131.9° | 136.7° |
| C9 | N5 | C12 | H21 | 106.5° | 102.5° |
| N5 | C9 | C13 | O3 | 166.3° | 75.0° |
| N5 | C9 | C13 | N6 | 16.0° | 105.0° |
| C12 | N5 | C9 | C10 | 18.9° | 20.2° |
| C12 | N5 | C9 | C13 | 98.3° | 139.7° |
| C12 | N5 | C9 | H15 | 136.4° | 99.7° |
| N5 | C12 | C11 | C10 | 38.8° | 7.1° |
| N5 | C12 | C11 | H20 | 119.2° | 119.6° |
| N5 | C12 | C11 | H21 | 119.1° | 119.6° |
| N5 | C12 | C11 | H18 | 157.0° | 126.4° |
| N5 | C12 | C11 | H19 | 79.5° | 112.1° |
| N5 | C12 | H20 | H21 | 122.5° | 120.8° |
| C10 | C9 | C13 | H15 | 120.9° | 121.5° |
| C9 | C10 | C11 | H16 | 118.4° | 119.1° |
| C9 | C10 | C11 | H17 | 118.4° | 119.0° |
| C9 | C10 | H16 | H17 | 124.4° | 122.0° |
| C9 | C10 | C11 | C12 | 49.9° | 4.8° |
| C9 | C10 | C11 | H18 | 168.1° | 114.4° |
| C9 | C10 | C11 | H19 | 68.4° | 124.0° |
| C10 | C9 | C13 | O3 | 53.0° | 42.9° |
| C10 | C9 | N5 | C1 | 159.3° | 159.3° |
| C10 | C9 | C13 | N6 | 129.4° | 137.0° |
| C13 | C9 | C10 | C11 | 78.2° | 133.9° |
| C13 | C9 | C10 | H16 | 163.4° | 107.0° |
| C13 | C9 | C10 | H17 | 40.3° | 14.9° |
| C9 | C13 | O3 | N6 | 177.6° | 179.9° |
| C9 | C13 | N6 | C14 | 179.5° | 169.9° |
| C9 | C13 | N6 | H22 | 0.5° | 10.1° |
| C13 | C9 | N5 | C1 | 83.5° | 39.8° |
| H15 | C9 | C10 | C11 | 161.0° | 104.7° |
| H15 | C9 | C10 | H16 | 42.5° | 14.4° |
| H15 | C9 | C10 | H17 | 80.6° | 136.4° |
| H15 | C9 | C13 | O3 | 67.9° | 164.3° |
| H15 | C9 | N5 | C1 | 41.8° | 80.8° |
| H15 | C9 | C13 | N6 | 109.8° | 15.6° |
| C11 | C10 | H16 | H17 | 124.4° | 121.8° |
| C10 | C11 | C12 | H18 | 118.2° | 119.2° |
| C10 | C11 | C12 | H19 | 118.3° | 119.2° |
| C10 | C11 | H18 | H19 | 125.0° | 121.6° |
| C10 | C11 | C12 | H20 | 158.0° | 126.8° |
| C10 | C11 | C12 | H21 | 80.3° | 112.4° |
| H16 | C10 | C11 | C12 | 68.5° | 123.9° |
| H16 | C10 | C11 | H18 | 49.7° | 4.6° |
| H16 | C10 | C11 | H19 | 173.2° | 116.9° |
| H17 | C10 | C11 | C12 | 168.3° | 114.2° |
| H17 | C10 | C11 | H18 | 73.5° | 126.5° |
| H17 | C10 | C11 | H19 | 50.1° | 5.0° |
| C12 | C11 | H18 | H19 | 125.0° | 121.6° |
| C11 | C12 | H20 | H21 | 122.5° | 120.8° |
| C11 | C12 | N5 | C1 | 169.4° | 162.5° |
| H18 | C11 | C12 | H20 | 83.8° | 114.0° |
| H18 | C11 | C12 | H21 | 37.9° | 6.8° |
| H19 | C11 | C12 | H20 | 39.7° | 7.6° |
| H19 | C11 | C12 | H21 | 161.4° | 128.4° |
| H20 | C12 | N5 | C1 | 50.2° | 42.9° |
| H21 | C12 | N5 | C1 | 71.5° | 78.0° |
| O3 | C13 | N6 | C14 | 2.9° | 10.2° |
| O3 | C13 | N6 | H22 | 177.1° | 169.8° |
| C14 | N6 | H22 | C13 | 180.0° | 180.0° |
| N6 | C14 | C15 | C16 | 121.5° | 117.8° |
| N6 | C14 | C15 | H23 | 122.3° | 122.5° |
| N6 | C14 | C16 | H23 | 124.5° | 123.3° |
| N6 | C14 | C15 | O4 | 71.1° | 69.1° |
| N6 | C14 | C16 | C17 | 94.8° | 111.3° |
| N6 | C14 | C16 | H24 | 146.2° | 130.2° |
| N6 | C14 | C16 | H25 | 24.2° | 7.3° |
| N6 | C14 | C15 | N7 | 105.8° | 110.9° |
| H22 | N6 | C14 | C15 | 21.9° | 90.8° |
| H22 | N6 | C14 | C16 | 92.2° | 22.7° |
| H22 | N6 | C14 | H23 | 143.8° | 146.4° |
| C15 | C14 | C16 | H23 | 116.2° | 119.4° |
| C14 | C15 | O4 | N7 | 176.5° | 180.0° |
| C15 | C14 | C16 | C17 | 24.4° | 6.1° |
| C15 | C14 | C16 | H24 | 94.6° | 112.5° |
| C15 | C14 | C16 | H25 | 143.5° | 124.6° |
| C14 | C15 | N7 | C18 | 179.2° | 174.2° |
| C15 | C14 | N6 | C13 | 158.1° | 89.2° |
| C14 | C15 | N7 | C17 | 0.8° | 5.0° |
| C16 | C14 | C15 | O4 | 167.4° | 173.1° |
| C14 | C16 | C17 | H24 | 119.0° | 118.5° |
| C14 | C16 | C17 | H25 | 119.0° | 118.5° |
| C14 | C16 | H24 | H25 | 122.9° | 123.0° |
| C14 | C16 | C17 | O5 | 93.8° | 176.4° |
| C16 | C14 | N6 | C13 | 87.8° | 157.4° |
| C14 | C16 | C17 | N7 | 26.1° | 3.7° |
| C16 | C14 | C15 | N7 | 15.7° | 6.9° |
| H23 | C14 | C15 | O4 | 51.2° | 53.5° |
| H23 | C14 | C16 | C17 | 140.7° | 125.5° |
| H23 | C14 | C16 | H24 | 21.7° | 6.9° |
| H23 | C14 | C16 | H25 | 100.3° | 116.0° |
| H23 | C14 | N6 | C13 | 36.2° | 33.6° |
| H23 | C14 | C15 | N7 | 131.9° | 126.5° |
| O4 | C15 | N7 | C18 | 3.9° | 5.8° |
| O4 | C15 | N7 | C17 | 176.1° | 175.0° |
| C17 | C16 | H24 | H25 | 122.8° | 122.9° |
| C16 | C17 | O5 | N7 | 117.4° | 179.9° |
| C16 | C17 | N7 | C18 | 162.8° | 178.4° |
| C16 | C17 | N7 | C15 | 17.2° | 0.7° |
| H24 | C16 | C17 | O5 | 147.1° | 65.1° |
| H24 | C16 | C17 | N7 | 92.9° | 114.9° |
| H25 | C16 | C17 | O5 | 25.2° | 57.8° |
| H25 | C16 | C17 | N7 | 145.2° | 122.2° |
| O5 | C17 | N7 | C18 | 76.3° | 1.6° |
| O5 | C17 | N7 | C15 | 103.7° | 179.2° |
| N7 | C18 | C19 | C20 | 120.4° | 119.9° |
| N7 | C18 | C19 | H26 | 118.7° | 119.9° |
| N7 | C18 | C20 | H26 | 121.6° | 120.3° |
| N7 | C18 | C19 | O6 | 148.3° | 75.2° |
| N7 | C18 | C20 | C21 | 155.9° | 172.2° |
| N7 | C18 | C20 | H27 | 35.4° | 52.3° |
| N7 | C18 | C20 | H28 | 83.6° | 67.7° |
| C18 | N7 | C17 | C15 | 179.9° | 179.2° |
| N7 | C18 | C19 | N10 | 31.8° | 104.8° |
| C19 | C18 | C20 | H26 | 120.9° | 120.2° |
| C18 | C19 | O6 | N10 | 179.9° | 180.0° |
| C19 | C18 | C20 | C21 | 86.6° | 68.3° |
| C19 | C18 | C20 | H27 | 152.9° | 171.8° |
| C19 | C18 | C20 | H28 | 33.8° | 51.8° |
| C18 | C19 | N10 | C27 | 174.8° | 175.7° |
| C18 | C19 | N10 | H41 | 5.1° | 4.3° |
| C19 | C18 | N7 | C17 | 102.9° | 129.1° |
| C19 | C18 | N7 | C15 | 77.0° | 50.0° |
| C20 | C18 | C19 | O6 | 91.3° | 44.7° |
| C18 | C20 | C21 | H27 | 120.5° | 120.0° |
| C18 | C20 | C21 | H28 | 120.5° | 120.1° |
| C18 | C20 | H27 | H28 | 118.5° | 120.0° |
| C18 | C20 | C21 | N8 | 152.7° | 85.4° |
| C18 | C20 | C21 | C22 | 26.2° | 95.0° |
| C20 | C18 | N7 | C17 | 17.8° | 9.2° |
| C20 | C18 | N7 | C15 | 162.3° | 169.9° |
| C20 | C18 | C19 | N10 | 88.6° | 135.3° |
| H26 | C18 | C19 | O6 | 29.6° | 165.0° |
| H26 | C18 | C20 | C21 | 34.3° | 51.9° |
| H26 | C18 | C20 | H27 | 86.2° | 68.1° |
| H26 | C18 | C20 | H28 | 154.8° | 171.9° |
| H26 | C18 | N7 | C17 | 138.9° | 111.1° |
| H26 | C18 | N7 | C15 | 41.2° | 69.8° |
| H26 | C18 | C19 | N10 | 150.5° | 15.1° |
| O6 | C19 | N10 | C27 | 5.3° | 4.3° |
| O6 | C19 | N10 | H41 | 174.7° | 175.7° |
| C21 | C20 | H27 | H28 | 118.5° | 120.0° |
| C20 | C21 | N8 | C22 | 179.1° | 179.7° |
| C20 | C21 | N8 | C23 | 178.9° | 180.0° |
| C20 | C21 | N8 | H29 | 1.1° | 0.1° |
| C20 | C21 | C22 | N9 | 178.9° | 180.0° |
| C20 | C21 | C22 | H30 | 1.0° | 0.0° |
| H27 | C20 | C21 | N8 | 32.2° | 34.6° |
| H27 | C20 | C21 | C22 | 146.7° | 145.0° |
| H28 | C20 | C21 | N8 | 86.8° | 154.6° |
| H28 | C20 | C21 | C22 | 94.3° | 25.1° |
| C21 | N8 | C23 | H29 | 180.0° | 179.9° |
| N8 | C21 | C22 | N9 | 0.1° | 0.3° |
| N8 | C21 | C22 | H30 | 179.9° | 179.7° |
| C21 | N8 | C23 | N9 | 0.2° | 0.2° |
| C21 | N8 | C23 | H31 | 179.8° | 180.0° |
| C22 | C21 | N8 | C23 | 0.2° | 0.3° |
| C22 | C21 | N8 | H29 | 179.8° | 179.8° |
| C21 | C22 | N9 | H30 | 180.0° | 180.0° |
| C21 | C22 | N9 | C23 | 0.0° | 0.2° |
| C21 | C22 | N9 | H32 | 180.0° | 179.9° |
| N8 | C23 | N9 | C22 | 0.1° | 0.0° |
| N8 | C23 | N9 | H31 | 180.0° | 179.8° |
| N8 | C23 | N9 | H32 | 179.9° | 179.7° |
| H29 | N8 | C23 | N9 | 179.8° | 179.9° |
| H29 | N8 | C23 | H31 | 0.2° | 0.1° |
| C22 | N9 | C23 | H32 | 180.0° | 179.7° |
| C22 | N9 | C23 | H31 | 179.9° | 179.8° |
| H30 | C22 | N9 | C23 | 180.0° | 179.8° |
| H30 | C22 | N9 | H32 | 0.0° | 0.1° |
| H31 | C23 | N9 | H32 | 0.1° | 0.1° |
| O7 | C24 | O8 | C25 | 179.3° | 179.9° |
| O7 | C24 | O8 | H33 | 0.0° | 0.1° |
| O7 | C24 | C25 | C29 | 4.1° | 0.0° |
| O7 | C24 | C25 | H34 | 116.4° | 119.9° |
| O7 | C24 | C25 | H35 | 124.6° | 120.0° |
| O8 | C24 | C25 | C29 | 176.5° | 180.0° |
| O8 | C24 | C25 | H34 | 63.0° | 60.0° |
| O8 | C24 | C25 | H35 | 56.1° | 60.1° |
| C25 | C24 | O8 | H33 | 179.3° | 180.0° |
| C24 | C25 | C29 | H34 | 120.5° | 120.0° |
| C24 | C25 | C29 | H35 | 120.4° | 120.0° |
| C24 | C25 | H34 | H35 | 118.6° | 120.1° |
| C24 | C25 | C29 | C28 | 73.0° | 180.0° |
| C24 | C25 | C29 | H39 | 47.4° | 60.0° |
| C24 | C25 | C29 | H40 | 166.7° | 60.0° |
| O9 | C26 | C27 | N1 | 178.0° | 179.7° |
| O9 | C26 | C27 | C28 | 168.9° | 162.8° |
| O9 | C26 | C27 | N10 | 45.0° | 43.2° |
| O9 | C26 | C27 | H36 | 70.9° | 76.5° |
| C29 | C25 | H34 | H35 | 118.6° | 120.0° |
| C25 | C29 | C28 | C27 | 168.9° | 176.3° |
| C25 | C29 | C28 | H39 | 120.3° | 120.0° |
| C25 | C29 | C28 | H40 | 120.3° | 120.0° |
| C25 | C29 | C28 | H37 | 48.2° | 63.7° |
| C25 | C29 | C28 | H38 | 70.4° | 56.3° |
| C25 | C29 | H39 | H40 | 119.0° | 120.0° |
| H34 | C25 | C29 | C28 | 166.6° | 60.0° |
| H34 | C25 | C29 | H39 | 73.1° | 180.0° |
| H34 | C25 | C29 | H40 | 46.3° | 60.0° |
| H35 | C25 | C29 | C28 | 47.5° | 60.0° |
| H35 | C25 | C29 | H39 | 167.8° | 60.0° |
| H35 | C25 | C29 | H40 | 72.8° | 180.0° |
| C26 | C27 | C28 | N10 | 118.1° | 118.7° |
| C26 | C27 | C28 | H36 | 120.3° | 120.7° |
| C26 | C27 | N10 | H36 | 115.3° | 119.7° |
| C26 | C27 | C28 | C29 | 65.0° | 179.4° |
| C26 | C27 | C28 | H37 | 55.7° | 59.4° |
| C26 | C27 | C28 | H38 | 174.3° | 60.5° |
| C26 | C27 | N10 | H41 | 64.2° | 78.1° |
| C26 | C27 | N10 | C19 | 115.8° | 101.9° |
| C28 | C27 | N10 | H36 | 121.2° | 120.6° |
| C27 | C28 | C29 | H37 | 120.7° | 120.0° |
| C27 | C28 | C29 | H38 | 120.7° | 120.1° |
| C27 | C28 | H37 | H38 | 117.9° | 120.0° |
| C27 | C28 | C29 | H39 | 48.6° | 63.7° |
| C27 | C28 | C29 | H40 | 70.8° | 56.3° |
| C28 | C27 | N10 | H41 | 59.3° | 162.2° |
| C28 | C27 | N10 | C19 | 120.7° | 17.8° |
| C28 | C27 | C26 | N1 | 9.2° | 17.0° |
| N10 | C27 | C28 | C29 | 53.1° | 60.7° |
| N10 | C27 | C28 | H37 | 173.8° | 59.3° |
| N10 | C27 | C28 | H38 | 67.6° | 179.2° |
| C27 | N10 | H41 | C19 | 180.0° | 180.0° |
| N10 | C27 | C26 | N1 | 133.0° | 136.6° |
| H36 | C27 | C28 | C29 | 174.7° | 59.9° |
| H36 | C27 | C28 | H37 | 64.6° | 179.9° |
| H36 | C27 | C28 | H38 | 54.0° | 60.2° |
| H36 | C27 | N10 | H41 | 179.5° | 41.5° |
| H36 | C27 | N10 | C19 | 0.5° | 138.5° |
| H36 | C27 | C26 | N1 | 111.1° | 103.8° |
| C29 | C28 | H37 | H38 | 117.9° | 120.0° |
| C28 | C29 | H39 | H40 | 119.0° | 120.0° |
| H37 | C28 | C29 | H39 | 72.1° | 56.3° |
| H37 | C28 | C29 | H40 | 168.6° | 176.3° |
| H38 | C28 | C29 | H39 | 169.3° | 176.2° |
| H38 | C28 | C29 | H40 | 49.9° | 63.7° |
