PRD_002162
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | N1 | sing | 1.47Å | 1.43Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | C5 | sing | 1.37Å | 1.43Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C5 | N2 | doub | 1.30Å | 1.41Å | |
| C5 | N3 | sing | 1.38Å | 1.31Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C6 | O1 | doub | 1.22Å | 1.20Å | |
| C6 | N4 | sing | 1.35Å | 1.41Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N5 | C7 | sing | 1.46Å | 1.46Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.20Å | |
| C9 | O3 | sing | 1.43Å | 1.41Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| N6 | C10 | sing | 1.46Å | 1.45Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.19Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| N7 | C15 | sing | 1.46Å | 1.46Å | |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | O5 | doub | 1.21Å | 1.20Å | |
| C16 | H28 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | N8 | sing | 1.47Å | 1.45Å | |
| N8 | C20 | sing | 1.37Å | 1.32Å | |
| C20 | N9 | sing | 1.33Å | 1.33Å | |
| C20 | N10 | doub | 1.33Å | 1.31Å | |
| N7 | H29 | sing | 0.97Å | 1.00Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| N8 | H37 | sing | 0.97Å | 1.00Å | |
| N9 | H38 | sing | 0.97Å | 1.00Å | |
| N9 | H39 | sing | 0.97Å | 1.00Å | |
| N10 | H40 | sing | 0.97Å | 1.00Å | |
| N10 | H41 | sing | 0.97Å | 1.00Å | |
| C1 | N4 | sing | 1.47Å | 1.44Å | |
| C6 | N5 | sing | 1.35Å | 1.45Å | |
| C8 | N6 | sing | 1.35Å | 1.32Å | |
| C11 | N7 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 100.1° | 109.5° |
| C2 | C1 | H2 | 100.2° | 109.5° |
| C1 | C2 | C3 | 112.4° | 109.5° |
| C1 | C2 | H3 | 108.7° | 109.5° |
| C1 | C2 | H4 | 108.8° | 109.5° |
| C2 | C1 | N4 | 144.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | N4 | 100.2° | 109.5° |
| H2 | C1 | N4 | 100.1° | 109.4° |
| C3 | C2 | H3 | 108.8° | 109.5° |
| C3 | C2 | H4 | 108.7° | 109.5° |
| C2 | C3 | C4 | 108.8° | 109.5° |
| C2 | C3 | H5 | 109.7° | 109.5° |
| C2 | C3 | H6 | 109.6° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| C4 | C3 | H5 | 109.6° | 109.5° |
| C4 | C3 | H6 | 109.6° | 109.5° |
| C3 | C4 | N1 | 103.5° | 109.5° |
| C3 | C4 | H7 | 111.0° | 109.5° |
| C3 | C4 | H8 | 110.9° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| N1 | C4 | H7 | 110.9° | 109.5° |
| N1 | C4 | H8 | 110.9° | 109.5° |
| C4 | N1 | C5 | 116.6° | 120.0° |
| C4 | N1 | H9 | 121.7° | 120.0° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| C5 | N1 | H9 | 121.7° | 120.0° |
| N1 | C5 | N2 | 117.5° | 120.0° |
| N1 | C5 | N3 | 119.9° | 120.0° |
| N2 | C5 | N3 | 122.6° | 120.0° |
| C5 | N2 | H10 | 112.0° | 120.0° |
| C5 | N3 | H11 | 120.0° | 120.0° |
| C5 | N3 | H12 | 120.0° | 120.0° |
| H11 | N3 | H12 | 120.0° | 120.0° |
| O1 | C6 | N4 | 122.4° | 120.0° |
| O1 | C6 | N5 | 119.4° | 120.0° |
| C6 | N4 | H13 | 116.1° | 120.1° |
| C6 | N4 | C1 | 127.9° | 120.0° |
| N4 | C6 | N5 | 112.4° | 120.0° |
| H13 | N4 | C1 | 116.1° | 119.9° |
| C7 | N5 | H14 | 120.7° | 120.0° |
| N5 | C7 | C8 | 108.3° | 109.5° |
| N5 | C7 | C9 | 111.8° | 109.5° |
| N5 | C7 | H15 | 109.2° | 109.5° |
| C7 | N5 | C6 | 118.6° | 120.0° |
| H14 | N5 | C6 | 120.7° | 120.0° |
| C8 | C7 | C9 | 110.5° | 109.5° |
| C8 | C7 | H15 | 108.5° | 109.5° |
| C7 | C8 | O2 | 119.6° | 120.0° |
| C7 | C8 | N6 | 116.3° | 120.0° |
| C9 | C7 | H15 | 108.4° | 109.4° |
| C7 | C9 | O3 | 111.0° | 109.5° |
| C7 | C9 | H16 | 109.1° | 109.5° |
| C7 | C9 | H17 | 109.1° | 109.5° |
| O2 | C8 | N6 | 124.1° | 120.0° |
| O3 | C9 | H16 | 109.1° | 109.5° |
| O3 | C9 | H17 | 109.1° | 109.4° |
| C9 | O3 | H18 | 109.5° | 114.0° |
| H16 | C9 | H17 | 109.4° | 109.5° |
| C10 | N6 | H19 | 117.2° | 120.0° |
| N6 | C10 | C11 | 113.5° | 109.5° |
| N6 | C10 | C12 | 110.5° | 109.5° |
| N6 | C10 | H20 | 108.7° | 109.5° |
| C10 | N6 | C8 | 125.6° | 120.0° |
| H19 | N6 | C8 | 117.2° | 120.0° |
| C11 | C10 | C12 | 108.6° | 109.5° |
| C11 | C10 | H20 | 107.8° | 109.4° |
| C10 | C11 | O4 | 121.6° | 120.0° |
| C10 | C11 | N7 | 114.7° | 120.0° |
| C12 | C10 | H20 | 107.6° | 109.4° |
| C10 | C12 | C13 | 111.5° | 109.5° |
| C10 | C12 | C14 | 111.3° | 109.5° |
| C10 | C12 | H21 | 107.6° | 109.5° |
| O4 | C11 | N7 | 123.7° | 119.9° |
| C13 | C12 | C14 | 110.3° | 109.5° |
| C13 | C12 | H21 | 108.1° | 109.5° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C12 | C13 | H23 | 109.4° | 109.5° |
| C12 | C13 | H24 | 109.5° | 109.5° |
| C14 | C12 | H21 | 108.0° | 109.4° |
| C12 | C14 | H25 | 109.5° | 109.5° |
| C12 | C14 | H26 | 109.5° | 109.5° |
| C12 | C14 | H27 | 109.4° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.4° |
| H22 | C13 | H24 | 109.5° | 109.5° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.4° | 109.4° |
| H25 | C14 | H27 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.5° | 109.5° |
| N7 | C15 | C16 | 116.5° | 109.5° |
| N7 | C15 | C17 | 107.2° | 109.4° |
| C15 | N7 | H29 | 117.3° | 120.0° |
| N7 | C15 | H30 | 107.7° | 109.5° |
| C15 | N7 | C11 | 125.3° | 120.0° |
| C16 | C15 | C17 | 111.5° | 109.4° |
| C15 | C16 | O5 | 118.6° | 120.0° |
| C15 | C16 | H28 | 120.7° | 120.0° |
| C16 | C15 | H30 | 106.5° | 109.5° |
| C15 | C17 | C18 | 110.4° | 109.5° |
| C17 | C15 | H30 | 107.0° | 109.5° |
| C15 | C17 | H31 | 109.2° | 109.5° |
| C15 | C17 | H32 | 109.2° | 109.5° |
| O5 | C16 | H28 | 120.7° | 119.9° |
| C17 | C18 | C19 | 114.2° | 109.5° |
| C18 | C17 | H31 | 109.2° | 109.5° |
| C18 | C17 | H32 | 109.3° | 109.4° |
| C17 | C18 | H33 | 108.3° | 109.5° |
| C17 | C18 | H34 | 108.3° | 109.5° |
| C18 | C19 | N8 | 112.6° | 109.5° |
| C19 | C18 | H33 | 108.2° | 109.5° |
| C19 | C18 | H34 | 108.3° | 109.5° |
| C18 | C19 | H35 | 108.7° | 109.5° |
| C18 | C19 | H36 | 108.7° | 109.5° |
| C19 | N8 | C20 | 124.2° | 120.0° |
| N8 | C19 | H35 | 108.7° | 109.4° |
| N8 | C19 | H36 | 108.7° | 109.5° |
| C19 | N8 | H37 | 117.9° | 120.0° |
| N8 | C20 | N9 | 120.4° | 120.0° |
| N8 | C20 | N10 | 119.4° | 120.0° |
| C20 | N8 | H37 | 117.9° | 120.0° |
| N9 | C20 | N10 | 120.2° | 120.0° |
| C20 | N9 | H38 | 120.0° | 120.0° |
| C20 | N9 | H39 | 120.0° | 120.0° |
| C20 | N10 | H40 | 120.0° | 120.0° |
| C20 | N10 | H41 | 120.0° | 120.0° |
| H29 | N7 | C11 | 117.4° | 120.0° |
| H31 | C17 | H32 | 109.5° | 109.4° |
| H33 | C18 | H34 | 109.5° | 109.5° |
| H35 | C19 | H36 | 109.5° | 109.5° |
| H38 | N9 | H39 | 120.0° | 120.0° |
| H40 | N10 | H41 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H2 | 104.7° | 120.0° |
| C2 | C1 | H1 | N4 | 150.7° | 120.1° |
| C2 | C1 | H2 | N4 | 150.7° | 120.0° |
| C1 | C2 | C3 | H3 | 120.4° | 120.0° |
| C1 | C2 | C3 | H4 | 120.4° | 120.0° |
| C1 | C2 | H3 | H4 | 118.7° | 120.0° |
| C1 | C2 | C3 | C4 | 108.8° | 180.0° |
| C1 | C2 | C3 | H5 | 11.1° | 60.0° |
| C1 | C2 | C3 | H6 | 131.3° | 60.0° |
| C2 | C1 | N4 | C6 | 165.3° | 180.0° |
| C2 | C1 | N4 | H13 | 14.7° | 0.1° |
| H1 | C1 | H2 | N4 | 104.7° | 120.0° |
| H1 | C1 | C2 | C3 | 50.1° | 60.0° |
| H1 | C1 | C2 | H3 | 70.3° | 60.0° |
| H1 | C1 | C2 | H4 | 170.6° | 180.0° |
| H1 | C1 | N4 | C6 | 41.3° | 59.9° |
| H1 | C1 | N4 | H13 | 138.7° | 120.0° |
| H2 | C1 | C2 | C3 | 62.0° | 60.0° |
| H2 | C1 | C2 | H3 | 177.6° | 180.0° |
| H2 | C1 | C2 | H4 | 58.5° | 60.0° |
| H2 | C1 | N4 | C6 | 70.8° | 60.0° |
| H2 | C1 | N4 | H13 | 109.2° | 120.1° |
| C3 | C2 | H3 | H4 | 118.7° | 120.0° |
| C2 | C3 | C4 | H5 | 119.9° | 120.0° |
| C2 | C3 | C4 | H6 | 119.9° | 120.0° |
| C2 | C3 | H5 | H6 | 120.3° | 120.0° |
| C2 | C3 | C4 | N1 | 90.7° | 180.0° |
| C2 | C3 | C4 | H7 | 28.4° | 60.0° |
| C2 | C3 | C4 | H8 | 150.3° | 60.0° |
| C3 | C2 | C1 | N4 | 174.1° | 180.0° |
| H3 | C2 | C3 | C4 | 130.8° | 60.0° |
| H3 | C2 | C3 | H5 | 109.3° | 180.0° |
| H3 | C2 | C3 | H6 | 10.9° | 60.0° |
| H3 | C2 | C1 | N4 | 53.7° | 60.0° |
| H4 | C2 | C3 | C4 | 11.7° | 60.0° |
| H4 | C2 | C3 | H5 | 131.6° | 60.0° |
| H4 | C2 | C3 | H6 | 108.3° | 180.0° |
| H4 | C2 | C1 | N4 | 65.5° | 60.0° |
| C4 | C3 | H5 | H6 | 120.3° | 120.0° |
| C3 | C4 | N1 | H7 | 119.1° | 120.0° |
| C3 | C4 | N1 | H8 | 119.0° | 120.0° |
| C3 | C4 | H7 | H8 | 122.8° | 120.0° |
| C3 | C4 | N1 | C5 | 83.7° | 180.0° |
| C3 | C4 | N1 | H9 | 96.3° | 0.1° |
| H5 | C3 | C4 | N1 | 149.4° | 60.0° |
| H5 | C3 | C4 | H7 | 91.5° | 180.0° |
| H5 | C3 | C4 | H8 | 30.4° | 60.0° |
| H6 | C3 | C4 | N1 | 29.2° | 60.0° |
| H6 | C3 | C4 | H7 | 148.3° | 60.0° |
| H6 | C3 | C4 | H8 | 89.8° | NaN° |
| N1 | C4 | H7 | H8 | 122.7° | 120.0° |
| C4 | N1 | C5 | H9 | 180.0° | 179.9° |
| C4 | N1 | C5 | N2 | 177.8° | 180.0° |
| C4 | N1 | C5 | N3 | 0.2° | 0.0° |
| H7 | C4 | N1 | C5 | 157.2° | 60.0° |
| H7 | C4 | N1 | H9 | 22.8° | 119.9° |
| H8 | C4 | N1 | C5 | 35.4° | 60.1° |
| H8 | C4 | N1 | H9 | 144.7° | 120.0° |
| N1 | C5 | N2 | N3 | 177.9° | 180.0° |
| N1 | C5 | N2 | H10 | 177.9° | 180.0° |
| N1 | C5 | N3 | H11 | 177.9° | 0.0° |
| N1 | C5 | N3 | H12 | 2.2° | 180.0° |
| H9 | N1 | C5 | N2 | 2.2° | 0.1° |
| H9 | N1 | C5 | N3 | 179.8° | 179.9° |
| N2 | C5 | N3 | H11 | 0.0° | 180.0° |
| N2 | C5 | N3 | H12 | 180.0° | 0.0° |
| N3 | C5 | N2 | H10 | 0.0° | 0.0° |
| C5 | N3 | H11 | H12 | 180.0° | 180.0° |
| O1 | C6 | N4 | N5 | 152.8° | 180.0° |
| O1 | C6 | N4 | H13 | 163.6° | 180.0° |
| O1 | C6 | N5 | C7 | 3.9° | 0.0° |
| O1 | C6 | N5 | H14 | 176.1° | 180.0° |
| O1 | C6 | N4 | C1 | 16.4° | 0.1° |
| C6 | N4 | H13 | C1 | 180.0° | 179.9° |
| N4 | C6 | N5 | C7 | 157.6° | 180.0° |
| N4 | C6 | N5 | H14 | 22.4° | 0.0° |
| H13 | N4 | C6 | N5 | 10.7° | 0.1° |
| C7 | N5 | H14 | C6 | 180.0° | 180.0° |
| N5 | C7 | C8 | C9 | 122.8° | 120.0° |
| N5 | C7 | C8 | H15 | 118.5° | 120.0° |
| N5 | C7 | C9 | H15 | 120.5° | 120.0° |
| N5 | C7 | C8 | O2 | 83.8° | 0.0° |
| N5 | C7 | C9 | O3 | 64.0° | 65.0° |
| N5 | C7 | C9 | H16 | 175.8° | 175.0° |
| N5 | C7 | C9 | H17 | 56.3° | 54.9° |
| N5 | C7 | C8 | N6 | 97.6° | 180.0° |
| H14 | N5 | C7 | C8 | 59.2° | 25.0° |
| H14 | N5 | C7 | C9 | 62.8° | 95.0° |
| H14 | N5 | C7 | H15 | 177.2° | 145.0° |
| C8 | C7 | C9 | H15 | 118.8° | 120.0° |
| C7 | C8 | O2 | N6 | 178.5° | 179.9° |
| C8 | C7 | C9 | O3 | 56.8° | 55.0° |
| C8 | C7 | C9 | H16 | 63.5° | 65.0° |
| C8 | C7 | C9 | H17 | 177.0° | 175.0° |
| C7 | C8 | N6 | C10 | 156.8° | 180.0° |
| C7 | C8 | N6 | H19 | 23.2° | 0.0° |
| C8 | C7 | N5 | C6 | 120.8° | 155.0° |
| C9 | C7 | C8 | O2 | 39.0° | 120.0° |
| C7 | C9 | O3 | H16 | 120.2° | 120.0° |
| C7 | C9 | O3 | H17 | 120.2° | 120.0° |
| C7 | C9 | H16 | H17 | 119.3° | 120.0° |
| C7 | C9 | O3 | H18 | 36.8° | 180.0° |
| C9 | C7 | N5 | C6 | 117.2° | 85.0° |
| C9 | C7 | C8 | N6 | 139.6° | 59.9° |
| H15 | C7 | C8 | O2 | 157.7° | 120.0° |
| H15 | C7 | C9 | O3 | 175.6° | 175.0° |
| H15 | C7 | C9 | H16 | 55.3° | 55.0° |
| H15 | C7 | C9 | H17 | 64.2° | 65.0° |
| H15 | C7 | N5 | C6 | 2.8° | 35.0° |
| H15 | C7 | C8 | N6 | 20.9° | 60.0° |
| O2 | C8 | N6 | C10 | 24.6° | 0.0° |
| O2 | C8 | N6 | H19 | 155.4° | 180.0° |
| O3 | C9 | H16 | H17 | 119.3° | 119.9° |
| H16 | C9 | O3 | H18 | 83.5° | 59.9° |
| H17 | C9 | O3 | H18 | 157.0° | 60.1° |
| C10 | N6 | H19 | C8 | 180.0° | 180.0° |
| N6 | C10 | C11 | C12 | 123.2° | 120.0° |
| N6 | C10 | C11 | H20 | 120.5° | 120.0° |
| N6 | C10 | C12 | H20 | 118.5° | 120.0° |
| N6 | C10 | C11 | O4 | 83.6° | 10.0° |
| N6 | C10 | C12 | C13 | 176.7° | 66.1° |
| N6 | C10 | C12 | C14 | 53.2° | 53.9° |
| N6 | C10 | C12 | H21 | 64.9° | 173.8° |
| N6 | C10 | C11 | N7 | 96.9° | 170.0° |
| H19 | N6 | C10 | C11 | 74.8° | 25.0° |
| H19 | N6 | C10 | C12 | 47.4° | 95.0° |
| H19 | N6 | C10 | H20 | 165.3° | 145.0° |
| C11 | C10 | C12 | H20 | 116.5° | 120.0° |
| C10 | C11 | O4 | N7 | 179.5° | 180.0° |
| C11 | C10 | C12 | C13 | 58.3° | 173.9° |
| C11 | C10 | C12 | C14 | 178.2° | 66.1° |
| C11 | C10 | C12 | H21 | 60.1° | 53.8° |
| C10 | C11 | N7 | C15 | 175.5° | 175.3° |
| C10 | C11 | N7 | H29 | 4.5° | 4.7° |
| C11 | C10 | N6 | C8 | 105.3° | 155.0° |
| C12 | C10 | C11 | O4 | 39.7° | 110.0° |
| C10 | C12 | C13 | C14 | 124.1° | 120.0° |
| C10 | C12 | C13 | H21 | 118.1° | 120.0° |
| C10 | C12 | C14 | H21 | 117.9° | 120.0° |
| C10 | C12 | C13 | H22 | 180.0° | 58.5° |
| C10 | C12 | C13 | H23 | 60.0° | 178.4° |
| C10 | C12 | C13 | H24 | 60.0° | 61.6° |
| C10 | C12 | C14 | H25 | 180.0° | 60.0° |
| C10 | C12 | C14 | H26 | 60.0° | 180.0° |
| C10 | C12 | C14 | H27 | 60.0° | 60.0° |
| C12 | C10 | N6 | C8 | 132.5° | 85.0° |
| C12 | C10 | C11 | N7 | 139.9° | 70.0° |
| H20 | C10 | C11 | O4 | 156.0° | 130.0° |
| H20 | C10 | C12 | C13 | 58.2° | 53.9° |
| H20 | C10 | C12 | C14 | 65.3° | 173.9° |
| H20 | C10 | C12 | H21 | 176.5° | 66.1° |
| H20 | C10 | N6 | C8 | 14.7° | 35.0° |
| H20 | C10 | C11 | N7 | 23.6° | 50.0° |
| O4 | C11 | N7 | C15 | 4.9° | 4.7° |
| O4 | C11 | N7 | H29 | 175.1° | 175.3° |
| C13 | C12 | C14 | H21 | 117.9° | 120.0° |
| C12 | C13 | H22 | H23 | 120.0° | 120.0° |
| C12 | C13 | H22 | H24 | 120.0° | 120.1° |
| C12 | C13 | H23 | H24 | 120.0° | 120.1° |
| C13 | C12 | C14 | H25 | 55.8° | 180.0° |
| C13 | C12 | C14 | H26 | 64.2° | 60.0° |
| C13 | C12 | C14 | H27 | 175.8° | 60.0° |
| C14 | C12 | C13 | H22 | 55.9° | 61.5° |
| C14 | C12 | C13 | H23 | 175.9° | 58.4° |
| C14 | C12 | C13 | H24 | 64.1° | 178.4° |
| C12 | C14 | H25 | H26 | 120.0° | 120.0° |
| C12 | C14 | H25 | H27 | 120.0° | 120.0° |
| C12 | C14 | H26 | H27 | 120.0° | 120.0° |
| H21 | C12 | C13 | H22 | 61.9° | 178.5° |
| H21 | C12 | C13 | H23 | 58.0° | 61.6° |
| H21 | C12 | C13 | H24 | 178.1° | 58.5° |
| H21 | C12 | C14 | H25 | 62.1° | 60.0° |
| H21 | C12 | C14 | H26 | 177.9° | 60.0° |
| H21 | C12 | C14 | H27 | 57.9° | 180.0° |
| H22 | C13 | H23 | H24 | 120.0° | 120.0° |
| H25 | C14 | H26 | H27 | 120.0° | 120.0° |
| N7 | C15 | C16 | C17 | 123.5° | 119.9° |
| N7 | C15 | C16 | H30 | 120.1° | 120.1° |
| N7 | C15 | C17 | H30 | 115.3° | 120.0° |
| N7 | C15 | C16 | O5 | 162.6° | 0.1° |
| N7 | C15 | C16 | H28 | 17.4° | 180.0° |
| N7 | C15 | C17 | C18 | 63.8° | 65.1° |
| C15 | N7 | H29 | C11 | 180.0° | 180.0° |
| N7 | C15 | C17 | H31 | 56.3° | 55.0° |
| N7 | C15 | C17 | H32 | 176.1° | 175.0° |
| C16 | C15 | C17 | H30 | 116.1° | 120.0° |
| C15 | C16 | O5 | H28 | 180.0° | 179.9° |
| C16 | C15 | C17 | C18 | 167.6° | 175.0° |
| C16 | C15 | N7 | H29 | 72.6° | 94.9° |
| C16 | C15 | C17 | H31 | 72.3° | 64.9° |
| C16 | C15 | C17 | H32 | 47.5° | 55.0° |
| C16 | C15 | N7 | C11 | 107.4° | 85.0° |
| C17 | C15 | C16 | O5 | 39.2° | 120.1° |
| C17 | C15 | C16 | H28 | 140.8° | 60.1° |
| C15 | C17 | C18 | H31 | 120.1° | 120.1° |
| C15 | C17 | C18 | H32 | 120.1° | 120.0° |
| C15 | C17 | C18 | C19 | 173.7° | 180.0° |
| C17 | C15 | N7 | H29 | 53.0° | 25.0° |
| C15 | C17 | H31 | H32 | 119.6° | 120.0° |
| C15 | C17 | C18 | H33 | 53.1° | 60.0° |
| C15 | C17 | C18 | H34 | 65.6° | 60.0° |
| C17 | C15 | N7 | C11 | 127.0° | 155.0° |
| O5 | C16 | C15 | H30 | 77.3° | 120.0° |
| H28 | C16 | C15 | H30 | 102.7° | 59.9° |
| C17 | C18 | C19 | H33 | 120.7° | 120.0° |
| C17 | C18 | C19 | H34 | 120.7° | 120.0° |
| C17 | C18 | C19 | N8 | 61.4° | 179.9° |
| C18 | C17 | C15 | H30 | 51.5° | 55.0° |
| C18 | C17 | H31 | H32 | 119.6° | 119.9° |
| C17 | C18 | H33 | H34 | 117.8° | 120.0° |
| C17 | C18 | C19 | H35 | 178.2° | 60.0° |
| C17 | C18 | C19 | H36 | 59.1° | 60.0° |
| C18 | C19 | N8 | H35 | 120.5° | 120.0° |
| C18 | C19 | N8 | H36 | 120.5° | 120.1° |
| C18 | C19 | N8 | C20 | 151.4° | 180.0° |
| C19 | C18 | C17 | H31 | 66.1° | 59.9° |
| C19 | C18 | C17 | H32 | 53.6° | 60.0° |
| C19 | C18 | H33 | H34 | 117.8° | 120.0° |
| C18 | C19 | H35 | H36 | 118.6° | 120.0° |
| C18 | C19 | N8 | H37 | 28.6° | 0.1° |
| C19 | N8 | C20 | H37 | 180.0° | 179.9° |
| C19 | N8 | C20 | N9 | 0.3° | 0.0° |
| C19 | N8 | C20 | N10 | 178.4° | 179.9° |
| N8 | C19 | C18 | H33 | 59.3° | 60.1° |
| N8 | C19 | C18 | H34 | 177.9° | 59.9° |
| N8 | C19 | H35 | H36 | 118.6° | 120.0° |
| N8 | C20 | N9 | N10 | 178.7° | 179.9° |
| C20 | N8 | C19 | H35 | 31.0° | 60.0° |
| C20 | N8 | C19 | H36 | 88.1° | 60.0° |
| N8 | C20 | N9 | H38 | 178.7° | 0.1° |
| N8 | C20 | N9 | H39 | 1.3° | 180.0° |
| N8 | C20 | N10 | H40 | 178.7° | 0.1° |
| N8 | C20 | N10 | H41 | 1.3° | 180.0° |
| N9 | C20 | N8 | H37 | 179.7° | 179.9° |
| C20 | N9 | H38 | H39 | 179.9° | 179.9° |
| N9 | C20 | N10 | H40 | 0.0° | 180.0° |
| N9 | C20 | N10 | H41 | 180.0° | 0.1° |
| N10 | C20 | N8 | H37 | 1.6° | 0.0° |
| N10 | C20 | N9 | H38 | 0.0° | 180.0° |
| N10 | C20 | N9 | H39 | 180.0° | 0.1° |
| C20 | N10 | H40 | H41 | 180.0° | 179.9° |
| H29 | N7 | C15 | H30 | 167.8° | 145.0° |
| H30 | C15 | C17 | H31 | 171.6° | 175.0° |
| H30 | C15 | C17 | H32 | 68.7° | 65.0° |
| H30 | C15 | N7 | C11 | 12.1° | 35.0° |
| H31 | C17 | C18 | H33 | 173.2° | 179.9° |
| H31 | C17 | C18 | H34 | 54.6° | 60.0° |
| H32 | C17 | C18 | H33 | 67.1° | 60.0° |
| H32 | C17 | C18 | H34 | 174.3° | 180.0° |
| H33 | C18 | C19 | H35 | 61.1° | 180.0° |
| H33 | C18 | C19 | H36 | 179.8° | 60.0° |
| H34 | C18 | C19 | H35 | 57.5° | 60.0° |
| H34 | C18 | C19 | H36 | 61.6° | 180.0° |
| H35 | C19 | N8 | H37 | 149.0° | 120.0° |
| H36 | C19 | N8 | H37 | 91.9° | 120.0° |
| C1 | N4 | C6 | N5 | 169.3° | 180.0° |
