PRD_002156
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| 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 | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C14 | sing | 1.46Å | 1.46Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.55Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.24Å | |
| C16 | O5 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| O5 | H27 | sing | 0.97Å | 0.95Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| O6 | C19 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C24 | N5 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | N4 | sing | 1.46Å | 1.48Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| N5 | H43 | sing | 1.01Å | 1.00Å | |
| N5 | H44 | sing | 1.01Å | 1.00Å | |
| C18 | H45 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.33Å | |
| C15 | N4 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.0° | 120.0° |
| O1 | C1 | N1 | 120.4° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 115.2° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 119.5° | 120.0° |
| N1 | C3 | C4 | 110.4° | 109.5° |
| N1 | C3 | C5 | 110.5° | 109.4° |
| N1 | C3 | H5 | 109.2° | 109.5° |
| C3 | N1 | C1 | 120.9° | 120.0° |
| H4 | N1 | C1 | 119.6° | 120.0° |
| C4 | C3 | C5 | 110.3° | 109.5° |
| C4 | C3 | H5 | 108.3° | 109.5° |
| C3 | C4 | O2 | 120.7° | 120.0° |
| C3 | C4 | N2 | 116.3° | 120.0° |
| C5 | C3 | H5 | 108.1° | 109.5° |
| C3 | C5 | C6 | 109.3° | 109.5° |
| C3 | C5 | C7 | 111.8° | 109.5° |
| C3 | C5 | H6 | 107.8° | 109.5° |
| O2 | C4 | N2 | 123.0° | 120.0° |
| C6 | C5 | C7 | 111.6° | 109.4° |
| C6 | C5 | H6 | 108.2° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C7 | C5 | H6 | 108.0° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.4° |
| C5 | C7 | H11 | 109.5° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H9 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H12 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C8 | N2 | H13 | 119.0° | 120.0° |
| N2 | C8 | C9 | 111.4° | 109.5° |
| N2 | C8 | C10 | 110.5° | 109.5° |
| N2 | C8 | H14 | 108.9° | 109.5° |
| C8 | N2 | C4 | 122.0° | 120.0° |
| H13 | N2 | C4 | 119.0° | 120.0° |
| C9 | C8 | C10 | 109.8° | 109.5° |
| C9 | C8 | H14 | 108.1° | 109.4° |
| C8 | C9 | O3 | 121.4° | 120.0° |
| C8 | C9 | N3 | 115.4° | 120.0° |
| C10 | C8 | H14 | 108.0° | 109.5° |
| C8 | C10 | C11 | 119.8° | 109.5° |
| C8 | C10 | H15 | 106.8° | 109.5° |
| C8 | C10 | H16 | 106.8° | 109.5° |
| O3 | C9 | N3 | 123.2° | 120.0° |
| C11 | C10 | H15 | 106.8° | 109.5° |
| C11 | C10 | H16 | 106.8° | 109.5° |
| C10 | C11 | C12 | 111.4° | 109.5° |
| C10 | C11 | C13 | 110.6° | 109.5° |
| C10 | C11 | H17 | 108.1° | 109.4° |
| H15 | C10 | H16 | 109.4° | 109.4° |
| C12 | C11 | C13 | 110.3° | 109.5° |
| C12 | C11 | H17 | 108.2° | 109.5° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C11 | C12 | H19 | 109.5° | 109.5° |
| C11 | C12 | H20 | 109.5° | 109.5° |
| C13 | C11 | H17 | 108.2° | 109.5° |
| C11 | C13 | H21 | 109.5° | 109.5° |
| C11 | C13 | H22 | 109.5° | 109.5° |
| C11 | C13 | H23 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H20 | 109.4° | 109.4° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H21 | C13 | H22 | 109.5° | 109.4° |
| H21 | C13 | H23 | 109.4° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| C14 | N3 | H24 | 119.2° | 120.0° |
| N3 | C14 | C15 | 108.6° | 109.5° |
| N3 | C14 | C16 | 113.4° | 109.5° |
| N3 | C14 | H25 | 109.3° | 109.5° |
| C14 | N3 | C9 | 121.6° | 120.0° |
| H24 | N3 | C9 | 119.2° | 120.0° |
| C15 | C14 | C16 | 108.8° | 109.5° |
| C15 | C14 | H25 | 108.5° | 109.4° |
| C14 | C15 | O4 | 119.9° | 120.0° |
| C14 | C15 | N4 | 119.3° | 120.0° |
| C16 | C14 | H25 | 108.1° | 109.5° |
| C14 | C16 | O5 | 109.8° | 109.5° |
| C14 | C16 | C17 | 111.9° | 109.5° |
| C14 | C16 | H26 | 107.6° | 109.5° |
| O4 | C15 | N4 | 119.7° | 120.0° |
| O5 | C16 | C17 | 110.5° | 109.5° |
| O5 | C16 | H26 | 109.2° | 109.5° |
| C16 | O5 | H27 | 109.5° | 114.0° |
| C17 | C16 | H26 | 107.7° | 109.5° |
| C16 | C17 | H28 | 109.5° | 109.5° |
| C16 | C17 | H29 | 109.5° | 109.5° |
| C16 | C17 | H30 | 109.5° | 109.5° |
| H28 | C17 | H29 | 109.4° | 109.4° |
| H28 | C17 | H30 | 109.5° | 109.5° |
| H29 | C17 | H30 | 109.5° | 109.4° |
| O6 | C19 | C18 | 121.7° | 120.0° |
| O6 | C19 | C20 | 119.0° | 120.0° |
| C18 | C19 | C20 | 118.6° | 120.0° |
| C19 | C18 | H31 | 109.5° | 109.5° |
| C19 | C18 | H32 | 109.5° | 109.5° |
| C19 | C18 | H45 | 109.5° | 109.5° |
| C19 | C20 | C21 | 110.0° | 109.5° |
| C19 | C20 | N4 | 110.9° | 109.5° |
| C19 | C20 | H33 | 108.7° | 109.5° |
| N5 | C24 | C23 | 105.5° | 109.5° |
| N5 | C24 | H41 | 110.4° | 109.5° |
| N5 | C24 | H42 | 110.5° | 109.5° |
| C24 | N5 | H43 | 109.5° | 111.0° |
| C24 | N5 | H44 | 109.5° | 111.0° |
| C24 | C23 | C22 | 110.1° | 109.5° |
| C24 | C23 | H39 | 109.3° | 109.4° |
| C24 | C23 | H40 | 109.3° | 109.5° |
| C23 | C24 | H41 | 110.4° | 109.4° |
| C23 | C24 | H42 | 110.4° | 109.5° |
| C23 | C22 | C21 | 113.0° | 109.5° |
| C23 | C22 | H37 | 108.6° | 109.5° |
| C23 | C22 | H38 | 108.6° | 109.4° |
| C22 | C23 | H39 | 109.3° | 109.5° |
| C22 | C23 | H40 | 109.3° | 109.5° |
| C22 | C21 | C20 | 107.7° | 109.5° |
| C22 | C21 | H35 | 109.9° | 109.5° |
| C22 | C21 | H36 | 109.9° | 109.5° |
| C21 | C22 | H37 | 108.6° | 109.5° |
| C21 | C22 | H38 | 108.6° | 109.5° |
| C21 | C20 | N4 | 109.8° | 109.4° |
| C21 | C20 | H33 | 108.4° | 109.4° |
| C20 | C21 | H35 | 109.9° | 109.5° |
| C20 | C21 | H36 | 109.9° | 109.5° |
| N4 | C20 | H33 | 109.0° | 109.5° |
| C20 | N4 | H34 | 117.6° | 120.0° |
| C20 | N4 | C15 | 124.8° | 120.0° |
| H31 | C18 | H32 | 109.4° | 109.5° |
| H31 | C18 | H45 | 109.5° | 109.5° |
| H32 | C18 | H45 | 109.5° | 109.5° |
| H34 | N4 | C15 | 117.6° | 120.0° |
| H35 | C21 | H36 | 109.4° | 109.4° |
| H37 | C22 | H38 | 109.5° | 109.5° |
| H39 | C23 | H40 | 109.5° | 109.5° |
| H41 | C24 | H42 | 109.5° | 109.5° |
| H43 | N5 | H44 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 158.9° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 89.9° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 25.5° | 0.0° |
| O1 | C1 | N1 | H4 | 154.5° | 179.9° |
| C1 | C2 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 175.5° | 179.7° |
| C2 | C1 | N1 | H4 | 4.6° | 0.2° |
| H1 | C2 | H2 | H3 | 120.0° | 119.9° |
| H1 | C2 | C1 | N1 | 158.9° | 89.7° |
| H2 | C2 | C1 | N1 | 39.0° | 30.3° |
| H3 | C2 | C1 | N1 | 81.0° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 122.4° | 120.0° |
| N1 | C3 | C4 | H5 | 119.5° | 120.0° |
| N1 | C3 | C5 | H5 | 119.4° | 120.0° |
| N1 | C3 | C4 | O2 | 32.1° | 21.0° |
| N1 | C3 | C5 | C6 | 57.5° | 176.5° |
| N1 | C3 | C5 | C7 | 178.4° | 56.5° |
| N1 | C3 | C5 | H6 | 59.9° | 63.5° |
| N1 | C3 | C4 | N2 | 147.3° | 159.1° |
| H4 | N1 | C3 | C4 | 37.5° | 24.9° |
| H4 | N1 | C3 | C5 | 84.7° | 95.0° |
| H4 | N1 | C3 | H5 | 156.5° | 144.9° |
| C4 | C3 | C5 | H5 | 118.3° | 120.0° |
| C3 | C4 | O2 | N2 | 179.4° | 179.9° |
| C4 | C3 | C5 | C6 | 64.8° | 63.5° |
| C4 | C3 | C5 | C7 | 59.3° | 176.5° |
| C4 | C3 | C5 | H6 | 177.8° | 56.5° |
| C3 | C4 | N2 | C8 | 177.4° | 174.8° |
| C3 | C4 | N2 | H13 | 2.6° | 5.1° |
| C4 | C3 | N1 | C1 | 142.5° | 155.0° |
| C5 | C3 | C4 | O2 | 90.3° | 99.0° |
| C3 | C5 | C6 | C7 | 124.2° | 120.0° |
| C3 | C5 | C6 | H6 | 117.2° | 120.1° |
| C3 | C5 | C7 | H6 | 118.4° | 120.1° |
| C3 | C5 | C6 | H7 | 180.0° | 56.0° |
| C3 | C5 | C6 | H8 | 60.0° | 176.0° |
| C3 | C5 | C6 | H9 | 60.0° | 63.9° |
| C3 | C5 | C7 | H10 | 180.0° | 60.0° |
| C3 | C5 | C7 | H11 | 60.0° | 180.0° |
| C3 | C5 | C7 | H12 | 60.0° | 59.9° |
| C5 | C3 | N1 | C1 | 95.3° | 85.0° |
| C5 | C3 | C4 | N2 | 90.3° | 81.0° |
| H5 | C3 | C4 | O2 | 151.6° | 141.0° |
| H5 | C3 | C5 | C6 | 177.0° | 56.5° |
| H5 | C3 | C5 | C7 | 58.9° | 63.5° |
| H5 | C3 | C5 | H6 | 59.6° | 176.5° |
| H5 | C3 | N1 | C1 | 23.5° | 35.0° |
| H5 | C3 | C4 | N2 | 27.8° | 39.1° |
| O2 | C4 | N2 | C8 | 2.0° | 5.2° |
| O2 | C4 | N2 | H13 | 178.0° | 174.8° |
| C6 | C5 | C7 | H6 | 118.8° | 120.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C6 | C5 | C7 | H10 | 57.2° | 180.0° |
| C6 | C5 | C7 | H11 | 62.8° | 60.0° |
| C6 | C5 | C7 | H12 | 177.2° | 60.0° |
| C7 | C5 | C6 | H7 | 55.8° | 63.9° |
| C7 | C5 | C6 | H8 | 175.8° | 56.1° |
| C7 | C5 | C6 | H9 | 64.2° | 176.1° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H12 | 120.0° | 120.0° |
| C5 | C7 | H11 | H12 | 120.0° | 120.0° |
| H6 | C5 | C6 | H7 | 62.8° | 176.1° |
| H6 | C5 | C6 | H8 | 57.2° | 63.9° |
| H6 | C5 | C6 | H9 | 177.2° | 56.1° |
| H6 | C5 | C7 | H10 | 61.6° | 60.0° |
| H6 | C5 | C7 | H11 | 178.4° | 60.0° |
| H6 | C5 | C7 | H12 | 58.4° | 180.0° |
| H7 | C6 | H8 | H9 | 120.0° | 120.0° |
| H10 | C7 | H11 | H12 | 119.9° | 120.0° |
| C8 | N2 | H13 | C4 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 122.7° | 120.0° |
| N2 | C8 | C9 | H14 | 119.7° | 120.0° |
| N2 | C8 | C10 | H14 | 119.0° | 120.0° |
| N2 | C8 | C9 | O3 | 29.7° | 22.2° |
| N2 | C8 | C10 | C11 | 130.7° | 178.3° |
| N2 | C8 | C10 | H15 | 9.2° | 58.3° |
| N2 | C8 | C10 | H16 | 107.8° | 61.7° |
| N2 | C8 | C9 | N3 | 149.2° | 157.7° |
| H13 | N2 | C8 | C9 | 104.2° | 27.6° |
| H13 | N2 | C8 | C10 | 18.2° | 92.4° |
| H13 | N2 | C8 | H14 | 136.7° | 147.6° |
| C9 | C8 | C10 | H14 | 117.7° | 119.9° |
| C8 | C9 | O3 | N3 | 178.8° | 179.9° |
| C9 | C8 | C10 | C11 | 106.0° | 61.7° |
| C9 | C8 | C10 | H15 | 132.5° | 178.3° |
| C9 | C8 | C10 | H16 | 15.4° | 58.3° |
| C8 | C9 | N3 | C14 | 170.2° | 175.9° |
| C8 | C9 | N3 | H24 | 9.8° | 4.1° |
| C9 | C8 | N2 | C4 | 75.8° | 152.4° |
| C10 | C8 | C9 | O3 | 93.1° | 97.8° |
| C8 | C10 | C11 | H15 | 121.5° | 120.0° |
| C8 | C10 | C11 | H16 | 121.5° | 120.0° |
| C8 | C10 | H15 | H16 | 115.3° | 120.0° |
| C8 | C10 | C11 | C12 | 71.3° | 67.4° |
| C8 | C10 | C11 | C13 | 165.7° | 172.6° |
| C8 | C10 | C11 | H17 | 47.5° | 52.6° |
| C10 | C8 | N2 | C4 | 161.8° | 87.6° |
| C10 | C8 | C9 | N3 | 88.1° | 82.3° |
| H14 | C8 | C9 | O3 | 149.3° | 142.2° |
| H14 | C8 | C10 | C11 | 11.6° | 58.2° |
| H14 | C8 | C10 | H15 | 109.8° | 61.8° |
| H14 | C8 | C10 | H16 | 133.1° | 178.3° |
| H14 | C8 | N2 | C4 | 43.3° | 32.4° |
| H14 | C8 | C9 | N3 | 29.5° | 37.7° |
| O3 | C9 | N3 | C14 | 11.0° | 4.1° |
| O3 | C9 | N3 | H24 | 169.1° | 175.9° |
| C11 | C10 | H15 | H16 | 115.3° | 120.0° |
| C10 | C11 | C12 | C13 | 123.2° | 120.0° |
| C10 | C11 | C12 | H17 | 118.7° | 120.0° |
| C10 | C11 | C13 | H17 | 118.2° | 120.0° |
| C10 | C11 | C12 | H18 | 180.0° | 176.6° |
| C10 | C11 | C12 | H19 | 60.0° | 56.5° |
| C10 | C11 | C12 | H20 | 60.0° | 63.5° |
| C10 | C11 | C13 | H21 | 180.0° | 60.0° |
| C10 | C11 | C13 | H22 | 60.0° | 180.0° |
| C10 | C11 | C13 | H23 | 60.0° | 60.0° |
| H15 | C10 | C11 | C12 | 50.2° | 52.6° |
| H15 | C10 | C11 | C13 | 72.8° | 67.4° |
| H15 | C10 | C11 | H17 | 168.9° | 172.6° |
| H16 | C10 | C11 | C12 | 167.3° | 172.6° |
| H16 | C10 | C11 | C13 | 44.2° | 52.6° |
| H16 | C10 | C11 | H17 | 74.0° | 67.5° |
| C12 | C11 | C13 | H17 | 118.1° | 120.0° |
| C11 | C12 | H18 | H19 | 120.0° | 120.1° |
| C11 | C12 | H18 | H20 | 120.0° | 120.0° |
| C11 | C12 | H19 | H20 | 120.0° | 120.0° |
| C12 | C11 | C13 | H21 | 56.3° | 180.0° |
| C12 | C11 | C13 | H22 | 63.7° | 60.0° |
| C12 | C11 | C13 | H23 | 176.3° | 60.0° |
| C13 | C11 | C12 | H18 | 56.7° | 63.4° |
| C13 | C11 | C12 | H19 | 176.7° | 176.5° |
| C13 | C11 | C12 | H20 | 63.2° | 56.5° |
| C11 | C13 | H21 | H22 | 120.0° | 120.0° |
| C11 | C13 | H21 | H23 | 120.0° | 120.0° |
| C11 | C13 | H22 | H23 | 120.0° | 120.0° |
| H17 | C11 | C12 | H18 | 61.4° | 56.6° |
| H17 | C11 | C12 | H19 | 58.6° | 63.5° |
| H17 | C11 | C12 | H20 | 178.7° | 176.6° |
| H17 | C11 | C13 | H21 | 61.8° | 60.0° |
| H17 | C11 | C13 | H22 | 178.2° | 60.0° |
| H17 | C11 | C13 | H23 | 58.2° | 180.0° |
| H18 | C12 | H19 | H20 | 120.0° | 119.9° |
| H21 | C13 | H22 | H23 | 120.0° | 120.0° |
| C14 | N3 | H24 | C9 | 180.0° | 180.0° |
| N3 | C14 | C15 | C16 | 123.8° | 120.0° |
| N3 | C14 | C15 | H25 | 118.7° | 120.0° |
| N3 | C14 | C16 | H25 | 121.4° | 120.0° |
| N3 | C14 | C15 | O4 | 17.7° | 6.6° |
| N3 | C14 | C16 | O5 | 62.5° | 59.5° |
| N3 | C14 | C16 | C17 | 60.6° | 60.5° |
| N3 | C14 | C16 | H26 | 178.8° | 179.5° |
| N3 | C14 | C15 | N4 | 174.4° | 173.4° |
| H24 | N3 | C14 | C15 | 57.3° | 25.0° |
| H24 | N3 | C14 | C16 | 63.8° | 95.0° |
| H24 | N3 | C14 | H25 | 175.5° | 145.0° |
| C15 | C14 | C16 | H25 | 117.7° | 119.9° |
| C14 | C15 | O4 | N4 | 167.9° | 180.0° |
| C15 | C14 | C16 | O5 | 58.4° | 60.5° |
| C15 | C14 | C16 | C17 | 178.5° | 179.5° |
| C15 | C14 | C16 | H26 | 60.3° | 59.5° |
| C14 | C15 | N4 | C20 | 179.5° | 175.1° |
| C14 | C15 | N4 | H34 | 0.5° | 5.0° |
| C15 | C14 | N3 | C9 | 122.7° | 155.0° |
| C16 | C14 | C15 | O4 | 106.1° | 113.4° |
| C14 | C16 | O5 | C17 | 123.9° | 120.0° |
| C14 | C16 | O5 | H26 | 117.7° | 120.0° |
| C14 | C16 | C17 | H26 | 118.1° | 120.0° |
| C14 | C16 | O5 | H27 | 180.0° | 60.0° |
| C14 | C16 | C17 | H28 | 180.0° | 59.8° |
| C14 | C16 | C17 | H29 | 60.0° | 179.7° |
| C14 | C16 | C17 | H30 | 60.0° | 60.3° |
| C16 | C14 | N3 | C9 | 116.2° | 85.0° |
| C16 | C14 | C15 | N4 | 61.8° | 66.6° |
| H25 | C14 | C15 | O4 | 136.4° | 126.6° |
| H25 | C14 | C16 | O5 | 176.1° | 179.5° |
| H25 | C14 | C16 | C17 | 60.8° | 59.5° |
| H25 | C14 | C16 | H26 | 57.4° | 60.5° |
| H25 | C14 | N3 | C9 | 4.5° | 35.0° |
| H25 | C14 | C15 | N4 | 55.6° | 53.4° |
| O4 | C15 | N4 | C20 | 11.6° | 4.9° |
| O4 | C15 | N4 | H34 | 168.4° | 175.0° |
| O5 | C16 | C17 | H26 | 119.2° | 120.0° |
| O5 | C16 | C17 | H28 | 57.3° | 60.2° |
| O5 | C16 | C17 | H29 | 177.3° | 59.7° |
| O5 | C16 | C17 | H30 | 62.7° | 179.7° |
| C17 | C16 | O5 | H27 | 56.1° | 180.0° |
| C16 | C17 | H28 | H29 | 120.0° | 120.0° |
| C16 | C17 | H28 | H30 | 120.0° | 120.1° |
| C16 | C17 | H29 | H30 | 120.0° | 120.0° |
| H26 | C16 | O5 | H27 | 62.2° | 60.0° |
| H26 | C16 | C17 | H28 | 61.9° | 179.8° |
| H26 | C16 | C17 | H29 | 58.1° | 60.3° |
| H26 | C16 | C17 | H30 | 178.1° | 59.7° |
| H28 | C17 | H29 | H30 | 120.0° | 120.0° |
| O6 | C19 | C18 | C20 | 170.3° | 180.0° |
| O6 | C19 | C20 | C21 | 46.2° | 105.0° |
| O6 | C19 | C20 | N4 | 167.9° | 15.0° |
| O6 | C19 | C18 | H31 | 0.0° | 180.0° |
| O6 | C19 | C18 | H32 | 120.0° | 60.0° |
| O6 | C19 | C20 | H33 | 72.3° | 135.0° |
| O6 | C19 | C18 | H45 | 120.0° | 60.0° |
| C18 | C19 | C20 | C21 | 143.2° | 75.0° |
| C18 | C19 | C20 | N4 | 21.6° | 165.0° |
| C19 | C18 | H31 | H32 | 120.0° | 120.0° |
| C19 | C18 | H31 | H45 | 120.0° | 120.0° |
| C19 | C18 | H32 | H45 | 120.0° | 120.0° |
| C18 | C19 | C20 | H33 | 98.2° | 45.0° |
| C19 | C20 | C21 | C22 | 105.4° | 175.0° |
| C19 | C20 | C21 | N4 | 122.3° | 120.0° |
| C19 | C20 | C21 | H33 | 118.7° | 120.0° |
| C19 | C20 | N4 | H33 | 119.6° | 120.1° |
| C20 | C19 | C18 | H31 | 170.3° | 0.0° |
| C20 | C19 | C18 | H32 | 69.7° | 120.0° |
| C19 | C20 | N4 | H34 | 79.3° | 95.0° |
| C19 | C20 | C21 | H35 | 14.3° | 65.0° |
| C19 | C20 | C21 | H36 | 134.8° | 55.0° |
| C20 | C19 | C18 | H45 | 50.3° | 120.0° |
| C19 | C20 | N4 | C15 | 100.7° | 85.0° |
| N5 | C24 | C23 | H41 | 119.4° | 120.0° |
| N5 | C24 | C23 | H42 | 119.4° | 120.1° |
| N5 | C24 | C23 | C22 | 165.1° | 180.0° |
| N5 | C24 | C23 | H39 | 45.0° | 60.0° |
| N5 | C24 | C23 | H40 | 74.8° | 59.9° |
| N5 | C24 | H41 | H42 | 121.9° | 120.0° |
| C24 | N5 | H43 | H44 | 120.0° | 124.0° |
| C24 | C23 | C22 | H39 | 120.1° | 119.9° |
| C24 | C23 | C22 | H40 | 120.1° | 120.0° |
| C24 | C23 | C22 | C21 | 69.8° | 180.0° |
| C24 | C23 | C22 | H37 | 50.7° | 60.0° |
| C24 | C23 | C22 | H38 | 169.6° | 60.0° |
| C24 | C23 | H39 | H40 | 119.7° | 120.0° |
| C23 | C24 | H41 | H42 | 121.8° | 120.0° |
| C23 | C24 | N5 | H43 | 180.0° | 56.0° |
| C23 | C24 | N5 | H44 | 60.0° | 180.0° |
| C23 | C22 | C21 | H37 | 120.5° | 120.0° |
| C23 | C22 | C21 | H38 | 120.5° | 120.0° |
| C23 | C22 | C21 | C20 | 170.5° | 180.0° |
| C23 | C22 | C21 | H35 | 69.7° | 60.0° |
| C23 | C22 | C21 | H36 | 50.8° | 60.0° |
| C23 | C22 | H37 | H38 | 118.4° | 119.9° |
| C22 | C23 | H39 | H40 | 119.7° | 120.0° |
| C22 | C23 | C24 | H41 | 75.5° | 60.0° |
| C22 | C23 | C24 | H42 | 45.7° | 60.0° |
| C22 | C21 | C20 | H35 | 119.8° | 120.0° |
| C22 | C21 | C20 | H36 | 119.7° | 120.0° |
| C22 | C21 | C20 | N4 | 132.3° | 65.0° |
| C22 | C21 | C20 | H33 | 13.3° | 55.0° |
| C22 | C21 | H35 | H36 | 120.8° | 120.0° |
| C21 | C22 | H37 | H38 | 118.4° | 120.0° |
| C21 | C22 | C23 | H39 | 170.1° | 60.0° |
| C21 | C22 | C23 | H40 | 50.3° | 60.0° |
| C21 | C20 | N4 | H33 | 118.6° | 119.9° |
| C21 | C20 | N4 | H34 | 42.5° | 25.0° |
| C20 | C21 | H35 | H36 | 120.8° | 120.0° |
| C20 | C21 | C22 | H37 | 50.0° | 60.0° |
| C20 | C21 | C22 | H38 | 68.9° | 60.0° |
| C21 | C20 | N4 | C15 | 137.5° | 155.0° |
| C20 | N4 | H34 | C15 | 180.0° | 180.0° |
| N4 | C20 | C21 | H35 | 108.0° | 55.0° |
| N4 | C20 | C21 | H36 | 12.5° | 175.0° |
| H31 | C18 | H32 | H45 | 120.0° | 120.0° |
| H33 | C20 | N4 | H34 | 161.1° | 145.0° |
| H33 | C20 | C21 | H35 | 133.0° | 175.0° |
| H33 | C20 | C21 | H36 | 106.5° | 65.0° |
| H33 | C20 | N4 | C15 | 18.9° | 35.1° |
| H35 | C21 | C22 | H37 | 169.8° | 180.0° |
| H35 | C21 | C22 | H38 | 50.8° | 60.0° |
| H36 | C21 | C22 | H37 | 69.7° | 60.0° |
| H36 | C21 | C22 | H38 | 171.3° | 179.9° |
| H37 | C22 | C23 | H39 | 69.4° | 180.0° |
| H37 | C22 | C23 | H40 | 170.8° | 60.0° |
| H38 | C22 | C23 | H39 | 49.5° | 60.0° |
| H38 | C22 | C23 | H40 | 70.3° | 180.0° |
| H39 | C23 | C24 | H41 | 164.4° | NaN° |
| H39 | C23 | C24 | H42 | 74.4° | 60.1° |
| H40 | C23 | C24 | H41 | 44.6° | 60.1° |
| H40 | C23 | C24 | H42 | 165.8° | 180.0° |
| H41 | C24 | N5 | H43 | 60.7° | 63.9° |
| H41 | C24 | N5 | H44 | 59.4° | 60.1° |
| H42 | C24 | N5 | H43 | 60.6° | 176.1° |
| H42 | C24 | N5 | H44 | 179.3° | 60.0° |
