PRD_000772
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.49Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.57Å | |
| C3 | C5 | sing | 1.53Å | 1.57Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.25Å | |
| C7 | O4 | sing | 1.34Å | 1.26Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | O5 | doub | 1.21Å | 1.24Å | |
| C10 | O6 | sing | 1.43Å | 1.41Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| O6 | H15 | sing | 0.97Å | 0.95Å | |
| N3 | C11 | sing | 1.47Å | 1.47Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | C13 | sing | 1.53Å | 1.58Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | O7 | doub | 1.21Å | 1.23Å | |
| C13 | O8 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| O8 | H19 | sing | 0.97Å | 0.95Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | C15 | sing | 1.46Å | 1.46Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | O9 | doub | 1.21Å | 1.25Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.48Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | O10 | sing | 1.43Å | 1.44Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| N5 | C22 | sing | 1.46Å | 1.47Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| O10 | H37 | sing | 0.97Å | 0.95Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| O11 | C24 | doub | 1.21Å | 1.20Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | N6 | sing | 1.35Å | 1.33Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| N6 | H44 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.31Å | |
| C4 | N2 | sing | 1.35Å | 1.34Å | |
| C9 | N3 | sing | 1.35Å | 1.34Å | |
| C12 | N4 | sing | 1.35Å | 1.33Å | |
| C16 | N5 | sing | 1.35Å | 1.28Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.1° | 120.0° |
| O1 | C1 | N1 | 122.6° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 114.6° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| C3 | N1 | H4 | 116.1° | 120.1° |
| N1 | C3 | C4 | 113.0° | 109.5° |
| N1 | C3 | C5 | 110.9° | 109.4° |
| N1 | C3 | H5 | 107.6° | 109.4° |
| C3 | N1 | C1 | 127.7° | 120.0° |
| H4 | N1 | C1 | 116.1° | 120.0° |
| C4 | C3 | C5 | 111.4° | 109.5° |
| C4 | C3 | H5 | 106.7° | 109.5° |
| C3 | C4 | O2 | 120.9° | 120.0° |
| C3 | C4 | N2 | 116.9° | 120.0° |
| C5 | C3 | H5 | 106.8° | 109.5° |
| C3 | C5 | C6 | 116.8° | 109.5° |
| C3 | C5 | H6 | 107.6° | 109.5° |
| C3 | C5 | H7 | 107.6° | 109.5° |
| O2 | C4 | N2 | 122.2° | 120.0° |
| C6 | C5 | H6 | 107.6° | 109.5° |
| C6 | C5 | H7 | 107.6° | 109.4° |
| C5 | C6 | C7 | 113.6° | 109.5° |
| C5 | C6 | H8 | 108.4° | 109.5° |
| C5 | C6 | H9 | 108.5° | 109.4° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | H8 | 108.5° | 109.5° |
| C7 | C6 | H9 | 108.4° | 109.5° |
| C6 | C7 | O3 | 118.4° | 120.0° |
| C6 | C7 | O4 | 119.1° | 120.0° |
| H8 | C6 | H9 | 109.4° | 109.5° |
| O3 | C7 | O4 | 122.5° | 120.0° |
| C7 | O4 | H10 | 109.5° | 117.0° |
| C8 | N2 | H11 | 118.1° | 120.0° |
| N2 | C8 | C9 | 110.0° | 109.4° |
| N2 | C8 | C10 | 111.2° | 109.5° |
| N2 | C8 | H12 | 108.9° | 109.4° |
| C8 | N2 | C4 | 123.8° | 120.0° |
| H11 | N2 | C4 | 118.1° | 120.0° |
| C9 | C8 | C10 | 110.4° | 109.5° |
| C9 | C8 | H12 | 108.1° | 109.5° |
| C8 | C9 | O5 | 120.2° | 120.0° |
| C8 | C9 | N3 | 116.5° | 120.0° |
| C10 | C8 | H12 | 108.2° | 109.5° |
| C8 | C10 | O6 | 109.9° | 109.5° |
| C8 | C10 | H13 | 109.3° | 109.4° |
| C8 | C10 | H14 | 109.4° | 109.4° |
| O5 | C9 | N3 | 123.2° | 120.0° |
| O6 | C10 | H13 | 109.3° | 109.5° |
| O6 | C10 | H14 | 109.4° | 109.5° |
| C10 | O6 | H15 | 109.5° | 114.0° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| C11 | N3 | H16 | 118.6° | 120.0° |
| N3 | C11 | C12 | 112.9° | 109.4° |
| N3 | C11 | C13 | 111.5° | 109.5° |
| N3 | C11 | H17 | 107.9° | 109.5° |
| C11 | N3 | C9 | 122.7° | 120.0° |
| H16 | N3 | C9 | 118.7° | 120.0° |
| C12 | C11 | C13 | 110.4° | 109.5° |
| C12 | C11 | H17 | 107.1° | 109.4° |
| C11 | C12 | O7 | 120.6° | 120.0° |
| C11 | C12 | N4 | 116.2° | 120.0° |
| C13 | C11 | H17 | 106.6° | 109.5° |
| C11 | C13 | O8 | 109.8° | 109.5° |
| C11 | C13 | C14 | 112.7° | 109.5° |
| C11 | C13 | H18 | 107.3° | 109.5° |
| O7 | C12 | N4 | 123.2° | 119.9° |
| O8 | C13 | C14 | 110.1° | 109.4° |
| O8 | C13 | H18 | 109.2° | 109.5° |
| C13 | O8 | H19 | 109.5° | 114.0° |
| C14 | C13 | H18 | 107.6° | 109.5° |
| C13 | C14 | H20 | 109.5° | 109.5° |
| C13 | C14 | H21 | 109.5° | 109.5° |
| C13 | C14 | H22 | 109.5° | 109.4° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H22 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| C15 | N4 | H23 | 118.8° | 120.0° |
| N4 | C15 | C16 | 109.9° | 109.5° |
| N4 | C15 | C17 | 110.8° | 109.4° |
| N4 | C15 | H24 | 109.6° | 109.5° |
| C15 | N4 | C12 | 122.3° | 120.0° |
| H23 | N4 | C12 | 118.9° | 120.0° |
| C16 | C15 | C17 | 109.4° | 109.4° |
| C16 | C15 | H24 | 108.6° | 109.5° |
| C15 | C16 | O9 | 120.3° | 120.0° |
| C15 | C16 | N5 | 123.1° | 120.0° |
| C17 | C15 | H24 | 108.5° | 109.4° |
| C15 | C17 | C18 | 121.7° | 109.5° |
| C15 | C17 | H25 | 106.3° | 109.5° |
| C15 | C17 | H26 | 106.3° | 109.5° |
| O9 | C16 | N5 | 114.9° | 120.0° |
| C18 | C17 | H25 | 106.4° | 109.4° |
| C18 | C17 | H26 | 106.4° | 109.5° |
| C17 | C18 | C19 | 107.5° | 109.5° |
| C17 | C18 | C20 | 114.9° | 109.4° |
| C17 | C18 | H27 | 108.1° | 109.5° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| C19 | C18 | C20 | 109.4° | 109.5° |
| C19 | C18 | H27 | 108.7° | 109.5° |
| C18 | C19 | H28 | 109.5° | 109.5° |
| C18 | C19 | H29 | 109.5° | 109.5° |
| C18 | C19 | H30 | 109.4° | 109.5° |
| C20 | C18 | H27 | 108.0° | 109.5° |
| C18 | C20 | H31 | 109.5° | 109.4° |
| C18 | C20 | H32 | 109.4° | 109.4° |
| C18 | C20 | H33 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H30 | 109.5° | 109.4° |
| H29 | C19 | H30 | 109.5° | 109.4° |
| H31 | C20 | H32 | 109.4° | 109.5° |
| H31 | C20 | H33 | 109.5° | 109.5° |
| H32 | C20 | H33 | 109.5° | 109.5° |
| C22 | C21 | O10 | 110.7° | 109.5° |
| C22 | C21 | H34 | 109.2° | 109.4° |
| C22 | C21 | H35 | 109.1° | 109.4° |
| C21 | C22 | N5 | 108.9° | 109.5° |
| C21 | C22 | C23 | 110.9° | 109.4° |
| C21 | C22 | H38 | 107.8° | 109.5° |
| O10 | C21 | H34 | 109.2° | 109.5° |
| O10 | C21 | H35 | 109.2° | 109.5° |
| C21 | O10 | H37 | 109.5° | 114.0° |
| H34 | C21 | H35 | 109.5° | 109.4° |
| C22 | N5 | H36 | 107.3° | 120.0° |
| N5 | C22 | C23 | 112.7° | 109.5° |
| N5 | C22 | H38 | 108.6° | 109.5° |
| C22 | N5 | C16 | 145.4° | 120.0° |
| H36 | N5 | C16 | 107.3° | 120.0° |
| C23 | C22 | H38 | 107.7° | 109.5° |
| C22 | C23 | C25 | 115.5° | 109.5° |
| C22 | C23 | H39 | 108.0° | 109.5° |
| C22 | C23 | H40 | 107.9° | 109.5° |
| C25 | C23 | H39 | 107.9° | 109.4° |
| C25 | C23 | H40 | 108.0° | 109.5° |
| C23 | C25 | C24 | 109.3° | 109.5° |
| C23 | C25 | H41 | 109.5° | 109.4° |
| C23 | C25 | H42 | 109.5° | 109.5° |
| H39 | C23 | H40 | 109.5° | 109.4° |
| O11 | C24 | C25 | 119.3° | 120.0° |
| O11 | C24 | N6 | 121.9° | 120.0° |
| C25 | C24 | N6 | 118.8° | 120.0° |
| C24 | C25 | H41 | 109.5° | 109.5° |
| C24 | C25 | H42 | 109.5° | 109.5° |
| C24 | N6 | H43 | 120.0° | 120.1° |
| C24 | N6 | H44 | 120.0° | 120.0° |
| H41 | C25 | H42 | 109.5° | 109.4° |
| H43 | N6 | H44 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 165.3° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 0.1° |
| O1 | C1 | C2 | H2 | 120.0° | 120.1° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 56.5° | 0.0° |
| O1 | C1 | N1 | H4 | 123.5° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.1° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 138.4° | 179.8° |
| C2 | C1 | N1 | H4 | 41.6° | 0.2° |
| H1 | C2 | H2 | H3 | 119.9° | 119.9° |
| H1 | C2 | C1 | N1 | 165.4° | 179.7° |
| H2 | C2 | C1 | N1 | 45.3° | 59.7° |
| H3 | C2 | C1 | N1 | 74.7° | 60.2° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 125.7° | 120.0° |
| N1 | C3 | C4 | H5 | 118.1° | 120.0° |
| N1 | C3 | C5 | H5 | 117.0° | 120.0° |
| N1 | C3 | C4 | O2 | 52.8° | 20.0° |
| N1 | C3 | C5 | C6 | 73.7° | 65.0° |
| N1 | C3 | C5 | H6 | 47.3° | 55.0° |
| N1 | C3 | C5 | H7 | 165.2° | 175.1° |
| N1 | C3 | C4 | N2 | 128.5° | 160.0° |
| H4 | N1 | C3 | C4 | 67.9° | 120.0° |
| H4 | N1 | C3 | C5 | 58.0° | 120.0° |
| H4 | N1 | C3 | H5 | 174.5° | 0.0° |
| C4 | C3 | C5 | H5 | 116.2° | 120.1° |
| C3 | C4 | O2 | N2 | 178.7° | 180.0° |
| C4 | C3 | C5 | C6 | 159.4° | 175.0° |
| C4 | C3 | C5 | H6 | 79.5° | 65.0° |
| C4 | C3 | C5 | H7 | 38.4° | 55.1° |
| C3 | C4 | N2 | C8 | 175.1° | 180.0° |
| C3 | C4 | N2 | H11 | 4.9° | 0.0° |
| C4 | C3 | N1 | C1 | 112.1° | 60.0° |
| C5 | C3 | C4 | O2 | 178.4° | 100.0° |
| C3 | C5 | C6 | H6 | 121.1° | 120.1° |
| C3 | C5 | C6 | H7 | 121.1° | 119.9° |
| C3 | C5 | H6 | H7 | 116.7° | 120.0° |
| C3 | C5 | C6 | C7 | 92.7° | 180.0° |
| C3 | C5 | C6 | H8 | 28.0° | 60.0° |
| C3 | C5 | C6 | H9 | 146.7° | 60.1° |
| C5 | C3 | N1 | C1 | 121.9° | 60.0° |
| C5 | C3 | C4 | N2 | 2.9° | 80.0° |
| H5 | C3 | C4 | O2 | 65.4° | 140.0° |
| H5 | C3 | C5 | C6 | 43.3° | 54.9° |
| H5 | C3 | C5 | H6 | 164.3° | 175.0° |
| H5 | C3 | C5 | H7 | 77.8° | 65.0° |
| H5 | C3 | N1 | C1 | 5.5° | 179.9° |
| H5 | C3 | C4 | N2 | 113.3° | 40.0° |
| O2 | C4 | N2 | C8 | 6.2° | 0.0° |
| O2 | C4 | N2 | H11 | 173.8° | 180.0° |
| C6 | C5 | H6 | H7 | 116.6° | 119.9° |
| C5 | C6 | C7 | H8 | 120.6° | 120.0° |
| C5 | C6 | C7 | H9 | 120.6° | 119.9° |
| C5 | C6 | H8 | H9 | 118.2° | 120.0° |
| C5 | C6 | C7 | O3 | 105.9° | 0.0° |
| C5 | C6 | C7 | O4 | 73.8° | 180.0° |
| H6 | C5 | C6 | C7 | 146.3° | 59.9° |
| H6 | C5 | C6 | H8 | 93.1° | 180.0° |
| H6 | C5 | C6 | H9 | 25.7° | 60.0° |
| H7 | C5 | C6 | C7 | 28.4° | 60.0° |
| H7 | C5 | C6 | H8 | 149.0° | 60.0° |
| H7 | C5 | C6 | H9 | 92.2° | 180.0° |
| C7 | C6 | H8 | H9 | 118.1° | 120.0° |
| C6 | C7 | O3 | O4 | 179.7° | 180.0° |
| C6 | C7 | O4 | H10 | 179.7° | 180.0° |
| H8 | C6 | C7 | O3 | 133.4° | 120.0° |
| H8 | C6 | C7 | O4 | 46.8° | 60.0° |
| H9 | C6 | C7 | O3 | 14.7° | 120.0° |
| H9 | C6 | C7 | O4 | 165.6° | 60.0° |
| O3 | C7 | O4 | H10 | 0.0° | 0.0° |
| C8 | N2 | H11 | C4 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 123.1° | 120.0° |
| N2 | C8 | C9 | H12 | 118.8° | 120.0° |
| N2 | C8 | C10 | H12 | 119.6° | 120.0° |
| N2 | C8 | C9 | O5 | 37.6° | 0.0° |
| N2 | C8 | C10 | O6 | 172.6° | 65.0° |
| N2 | C8 | C10 | H13 | 52.6° | 175.0° |
| N2 | C8 | C10 | H14 | 67.3° | 55.0° |
| N2 | C8 | C9 | N3 | 142.7° | 180.0° |
| H11 | N2 | C8 | C9 | 21.9° | 25.0° |
| H11 | N2 | C8 | C10 | 100.7° | 95.0° |
| H11 | N2 | C8 | H12 | 140.2° | 145.0° |
| C9 | C8 | C10 | H12 | 118.1° | 120.0° |
| C8 | C9 | O5 | N3 | 179.7° | 180.0° |
| C9 | C8 | C10 | O6 | 65.0° | 55.0° |
| C9 | C8 | C10 | H13 | 174.9° | 65.0° |
| C9 | C8 | C10 | H14 | 55.1° | 175.0° |
| C8 | C9 | N3 | C11 | 167.3° | 180.0° |
| C8 | C9 | N3 | H16 | 12.7° | 0.0° |
| C9 | C8 | N2 | C4 | 158.1° | 155.0° |
| C10 | C8 | C9 | O5 | 85.5° | 120.0° |
| C8 | C10 | O6 | H13 | 120.1° | 120.0° |
| C8 | C10 | O6 | H14 | 120.1° | 120.0° |
| C8 | C10 | H13 | H14 | 119.8° | 119.9° |
| C8 | C10 | O6 | H15 | 180.0° | 180.0° |
| C10 | C8 | N2 | C4 | 79.3° | 85.0° |
| C10 | C8 | C9 | N3 | 94.2° | 60.0° |
| H12 | C8 | C9 | O5 | 156.3° | 120.0° |
| H12 | C8 | C10 | O6 | 53.1° | 175.0° |
| H12 | C8 | C10 | H13 | 67.0° | 55.0° |
| H12 | C8 | C10 | H14 | 173.1° | 65.0° |
| H12 | C8 | N2 | C4 | 39.8° | 35.0° |
| H12 | C8 | C9 | N3 | 23.9° | 60.0° |
| O5 | C9 | N3 | C11 | 13.0° | 0.0° |
| O5 | C9 | N3 | H16 | 167.0° | 180.0° |
| O6 | C10 | H13 | H14 | 119.8° | 120.0° |
| H13 | C10 | O6 | H15 | 59.9° | 60.0° |
| H14 | C10 | O6 | H15 | 59.9° | 60.0° |
| C11 | N3 | H16 | C9 | 180.0° | 180.0° |
| N3 | C11 | C12 | C13 | 125.6° | 120.0° |
| N3 | C11 | C12 | H17 | 118.6° | 120.0° |
| N3 | C11 | C13 | H17 | 117.6° | 120.0° |
| N3 | C11 | C12 | O7 | 77.7° | 0.0° |
| N3 | C11 | C13 | O8 | 49.8° | 65.0° |
| N3 | C11 | C13 | C14 | 173.0° | 55.0° |
| N3 | C11 | C13 | H18 | 68.7° | 175.0° |
| N3 | C11 | C12 | N4 | 103.4° | 180.0° |
| H16 | N3 | C11 | C12 | 57.4° | 25.0° |
| H16 | N3 | C11 | C13 | 67.6° | 95.0° |
| H16 | N3 | C11 | H17 | 175.6° | 145.0° |
| C12 | C11 | C13 | H17 | 116.1° | 120.0° |
| C11 | C12 | O7 | N4 | 178.9° | 179.9° |
| C12 | C11 | C13 | O8 | 176.2° | 55.0° |
| C12 | C11 | C13 | C14 | 60.6° | 175.0° |
| C12 | C11 | C13 | H18 | 57.7° | 65.0° |
| C11 | C12 | N4 | C15 | 173.2° | 174.9° |
| C11 | C12 | N4 | H23 | 6.7° | 5.1° |
| C12 | C11 | N3 | C9 | 122.6° | 155.0° |
| C13 | C11 | C12 | O7 | 47.9° | 120.0° |
| C11 | C13 | O8 | C14 | 124.7° | 120.0° |
| C11 | C13 | O8 | H18 | 117.4° | 120.0° |
| C11 | C13 | C14 | H18 | 118.1° | 120.0° |
| C11 | C13 | O8 | H19 | 180.0° | 180.0° |
| C11 | C13 | C14 | H20 | 180.0° | 60.0° |
| C11 | C13 | C14 | H21 | 60.0° | 180.0° |
| C11 | C13 | C14 | H22 | 60.0° | 60.0° |
| C13 | C11 | N3 | C9 | 112.4° | 85.0° |
| C13 | C11 | C12 | N4 | 131.0° | 60.0° |
| H17 | C11 | C12 | O7 | 163.7° | 120.0° |
| H17 | C11 | C13 | O8 | 67.7° | 175.0° |
| H17 | C11 | C13 | C14 | 55.4° | 65.1° |
| H17 | C11 | C13 | H18 | 173.7° | 55.0° |
| H17 | C11 | N3 | C9 | 4.4° | 35.0° |
| H17 | C11 | C12 | N4 | 15.3° | 60.0° |
| O7 | C12 | N4 | C15 | 5.7° | 5.1° |
| O7 | C12 | N4 | H23 | 174.3° | 175.0° |
| O8 | C13 | C14 | H18 | 118.9° | 120.0° |
| O8 | C13 | C14 | H20 | 57.0° | 60.0° |
| O8 | C13 | C14 | H21 | 177.0° | 60.0° |
| O8 | C13 | C14 | H22 | 63.0° | 180.0° |
| C14 | C13 | O8 | H19 | 55.3° | 60.0° |
| C13 | C14 | H20 | H21 | 120.0° | 120.0° |
| C13 | C14 | H20 | H22 | 120.0° | 119.9° |
| C13 | C14 | H21 | H22 | 120.0° | 119.9° |
| H18 | C13 | O8 | H19 | 62.6° | 60.0° |
| H18 | C13 | C14 | H20 | 61.9° | 180.0° |
| H18 | C13 | C14 | H21 | 58.1° | 60.0° |
| H18 | C13 | C14 | H22 | 178.1° | 60.0° |
| H20 | C14 | H21 | H22 | 120.1° | 120.1° |
| C15 | N4 | H23 | C12 | 180.0° | 180.0° |
| N4 | C15 | C16 | C17 | 121.8° | 119.9° |
| N4 | C15 | C16 | H24 | 119.9° | 120.1° |
| N4 | C15 | C17 | H24 | 120.4° | 120.0° |
| N4 | C15 | C16 | O9 | 71.9° | 13.5° |
| N4 | C15 | C17 | C18 | 43.3° | 174.0° |
| N4 | C15 | C17 | H25 | 78.4° | 54.0° |
| N4 | C15 | C17 | H26 | 165.0° | 66.1° |
| N4 | C15 | C16 | N5 | 123.9° | 166.5° |
| H23 | N4 | C15 | C16 | 96.7° | 28.4° |
| H23 | N4 | C15 | C17 | 24.2° | 91.5° |
| H23 | N4 | C15 | H24 | 143.9° | 148.5° |
| C16 | C15 | C17 | H24 | 118.4° | 120.0° |
| C15 | C16 | O9 | N5 | 165.4° | 180.0° |
| C16 | C15 | C17 | C18 | 164.5° | 66.1° |
| C16 | C15 | C17 | H25 | 42.8° | 174.0° |
| C16 | C15 | C17 | H26 | 73.7° | 53.9° |
| C15 | C16 | N5 | C22 | 153.4° | 175.0° |
| C15 | C16 | N5 | H36 | 26.6° | 5.0° |
| C16 | C15 | N4 | C12 | 83.2° | 151.5° |
| C17 | C15 | C16 | O9 | 49.9° | 106.5° |
| C15 | C17 | C18 | H25 | 121.7° | 119.9° |
| C15 | C17 | C18 | H26 | 121.7° | 120.0° |
| C15 | C17 | H25 | H26 | 114.5° | 120.1° |
| C15 | C17 | C18 | C19 | 162.9° | 66.3° |
| C15 | C17 | C18 | C20 | 75.0° | 173.7° |
| C15 | C17 | C18 | H27 | 45.7° | 53.7° |
| C17 | C15 | N4 | C12 | 155.8° | 88.5° |
| C17 | C15 | C16 | N5 | 114.3° | 73.6° |
| H24 | C15 | C16 | O9 | 168.2° | 133.6° |
| H24 | C15 | C17 | C18 | 77.1° | 54.0° |
| H24 | C15 | C17 | H25 | 161.2° | 66.0° |
| H24 | C15 | C17 | H26 | 44.6° | 173.9° |
| H24 | C15 | N4 | C12 | 36.1° | 31.4° |
| H24 | C15 | C16 | N5 | 4.0° | 46.4° |
| O9 | C16 | N5 | C22 | 41.6° | 5.0° |
| O9 | C16 | N5 | H36 | 138.4° | 175.1° |
| C18 | C17 | H25 | H26 | 114.5° | 120.0° |
| C17 | C18 | C19 | C20 | 125.4° | 120.0° |
| C17 | C18 | C19 | H27 | 116.8° | 120.0° |
| C17 | C18 | C20 | H27 | 120.7° | 120.0° |
| C17 | C18 | C19 | H28 | 180.0° | 175.9° |
| C17 | C18 | C19 | H29 | 60.0° | 55.8° |
| C17 | C18 | C19 | H30 | 60.0° | 64.2° |
| C17 | C18 | C20 | H31 | 180.0° | 60.1° |
| C17 | C18 | C20 | H32 | 60.0° | 180.0° |
| C17 | C18 | C20 | H33 | 60.0° | 60.0° |
| H25 | C17 | C18 | C19 | 41.2° | 53.7° |
| H25 | C17 | C18 | C20 | 163.3° | 66.3° |
| H25 | C17 | C18 | H27 | 76.0° | 173.7° |
| H26 | C17 | C18 | C19 | 75.4° | 173.7° |
| H26 | C17 | C18 | C20 | 46.7° | 53.7° |
| H26 | C17 | C18 | H27 | 167.4° | 66.3° |
| C19 | C18 | C20 | H27 | 118.2° | 120.0° |
| C18 | C19 | H28 | H29 | 120.1° | 120.1° |
| C18 | C19 | H28 | H30 | 120.0° | 120.0° |
| C18 | C19 | H29 | H30 | 120.0° | 120.0° |
| C19 | C18 | C20 | H31 | 58.9° | 180.0° |
| C19 | C18 | C20 | H32 | 61.1° | 60.0° |
| C19 | C18 | C20 | H33 | 178.9° | 60.0° |
| C20 | C18 | C19 | H28 | 54.6° | 64.2° |
| C20 | C18 | C19 | H29 | 174.6° | 175.8° |
| C20 | C18 | C19 | H30 | 65.4° | 55.8° |
| C18 | C20 | H31 | H32 | 120.0° | 119.9° |
| C18 | C20 | H31 | H33 | 120.0° | 120.0° |
| C18 | C20 | H32 | H33 | 120.0° | 120.0° |
| H27 | C18 | C19 | H28 | 63.2° | 55.9° |
| H27 | C18 | C19 | H29 | 56.8° | 64.2° |
| H27 | C18 | C19 | H30 | 176.8° | 175.8° |
| H27 | C18 | C20 | H31 | 59.3° | 60.0° |
| H27 | C18 | C20 | H32 | 179.3° | 60.0° |
| H27 | C18 | C20 | H33 | 60.7° | 180.0° |
| H28 | C19 | H29 | H30 | 120.0° | 119.9° |
| H31 | C20 | H32 | H33 | 120.0° | 120.1° |
| C22 | C21 | O10 | H34 | 120.2° | 120.0° |
| C22 | C21 | O10 | H35 | 120.2° | 120.0° |
| C22 | C21 | H34 | H35 | 119.4° | 119.9° |
| C21 | C22 | N5 | C23 | 123.5° | 120.0° |
| C21 | C22 | N5 | H38 | 117.2° | 120.1° |
| C21 | C22 | N5 | H36 | 54.5° | 95.0° |
| C22 | C21 | O10 | H37 | 180.0° | 180.0° |
| C21 | C22 | C23 | H38 | 117.8° | 120.0° |
| C21 | C22 | C23 | C25 | 177.7° | 175.0° |
| C21 | C22 | C23 | H39 | 56.8° | 65.0° |
| C21 | C22 | C23 | H40 | 61.4° | 55.0° |
| C21 | C22 | N5 | C16 | 125.5° | 85.1° |
| O10 | C21 | H34 | H35 | 119.5° | 120.1° |
| O10 | C21 | C22 | N5 | 121.9° | 64.9° |
| O10 | C21 | C22 | C23 | 113.5° | 55.0° |
| O10 | C21 | C22 | H38 | 4.2° | 175.0° |
| H34 | C21 | C22 | N5 | 117.9° | 175.0° |
| H34 | C21 | O10 | H37 | 59.8° | 60.0° |
| H34 | C21 | C22 | C23 | 6.7° | 65.1° |
| H34 | C21 | C22 | H38 | 124.3° | 54.9° |
| H35 | C21 | C22 | N5 | 1.7° | 55.1° |
| H35 | C21 | O10 | H37 | 59.9° | 60.0° |
| H35 | C21 | C22 | C23 | 126.3° | 175.0° |
| H35 | C21 | C22 | H38 | 116.0° | 65.0° |
| C22 | N5 | H36 | C16 | 180.0° | 180.0° |
| N5 | C22 | C23 | H38 | 119.8° | 120.0° |
| N5 | C22 | C23 | C25 | 55.3° | 65.0° |
| N5 | C22 | C23 | H39 | 65.6° | 55.0° |
| N5 | C22 | C23 | H40 | 176.2° | 175.0° |
| H36 | N5 | C22 | C23 | 69.1° | 25.0° |
| H36 | N5 | C22 | H38 | 171.7° | 145.0° |
| C22 | C23 | C25 | H39 | 120.9° | 120.0° |
| C22 | C23 | C25 | H40 | 120.8° | 120.1° |
| C22 | C23 | H39 | H40 | 117.3° | 120.0° |
| C22 | C23 | C25 | C24 | 178.7° | 180.0° |
| C22 | C23 | C25 | H41 | 58.7° | 60.0° |
| C22 | C23 | C25 | H42 | 61.3° | 59.9° |
| C23 | C22 | N5 | C16 | 110.9° | 155.0° |
| H38 | C22 | C23 | C25 | 64.5° | 55.0° |
| H38 | C22 | C23 | H39 | 174.6° | 175.0° |
| H38 | C22 | C23 | H40 | 56.3° | 65.0° |
| H38 | C22 | N5 | C16 | 8.3° | 35.0° |
| C25 | C23 | H39 | H40 | 117.3° | 120.0° |
| C23 | C25 | C24 | O11 | 65.4° | 0.1° |
| C23 | C25 | C24 | H41 | 120.0° | 120.0° |
| C23 | C25 | C24 | H42 | 120.0° | 120.1° |
| C23 | C25 | C24 | N6 | 116.2° | 180.0° |
| C23 | C25 | H41 | H42 | 120.1° | 120.0° |
| H39 | C23 | C25 | C24 | 60.4° | 60.0° |
| H39 | C23 | C25 | H41 | 179.7° | 180.0° |
| H39 | C23 | C25 | H42 | 59.6° | 60.1° |
| H40 | C23 | C25 | C24 | 57.9° | 59.9° |
| H40 | C23 | C25 | H41 | 62.1° | 60.1° |
| H40 | C23 | C25 | H42 | 177.8° | 180.0° |
| O11 | C24 | C25 | N6 | 178.4° | 179.9° |
| O11 | C24 | C25 | H41 | 174.6° | 120.1° |
| O11 | C24 | C25 | H42 | 54.6° | 120.0° |
| O11 | C24 | N6 | H43 | 0.0° | 179.9° |
| O11 | C24 | N6 | H44 | 180.0° | 0.1° |
| C24 | C25 | H41 | H42 | 120.0° | 120.0° |
| C25 | C24 | N6 | H43 | 178.3° | 0.0° |
| C25 | C24 | N6 | H44 | 1.6° | 180.0° |
| N6 | C24 | C25 | H41 | 3.8° | 60.0° |
| N6 | C24 | C25 | H42 | 123.8° | 60.0° |
| C24 | N6 | H43 | H44 | 179.9° | 180.0° |
