PRD_000781
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | H1 | sing | 1.09Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 0.00Å | |
| C2 | H3 | sing | 1.09Å | 0.00Å | |
| N1 | C3 | sing | 1.46Å | 0.00Å | |
| N1 | H4 | sing | 0.97Å | 0.00Å | |
| C3 | C4 | sing | 1.51Å | 0.00Å | |
| C3 | C5 | sing | 1.53Å | 0.00Å | |
| C3 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | O2 | doub | 1.21Å | 0.00Å | |
| C5 | O3 | sing | 1.43Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C5 | H6 | sing | 1.09Å | 0.00Å | |
| O3 | H7 | sing | 0.97Å | 0.00Å | |
| C6 | H8 | sing | 1.09Å | 0.00Å | |
| C6 | H9 | sing | 1.09Å | 0.00Å | |
| C6 | H10 | sing | 1.09Å | 0.00Å | |
| N2 | C7 | sing | 1.46Å | 1.45Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | O5 | doub | 1.21Å | 1.25Å | |
| C10 | O6 | sing | 1.34Å | 1.25Å | |
| O6 | H15 | sing | 0.97Å | 0.95Å | |
| N3 | C11 | sing | 1.46Å | 1.45Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | O7 | doub | 1.21Å | 1.22Å | |
| C13 | C11 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | N4 | sing | 1.47Å | 1.45Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| C16 | N4 | sing | 1.37Å | 1.33Å | |
| C16 | N5 | doub | 1.29Å | 1.26Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C17 | F1 | sing | 1.40Å | 34.63Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| N6 | H28 | sing | 0.97Å | 1.00Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 0.00Å | |
| C4 | N2 | sing | 1.35Å | 39.61Å | |
| C8 | N3 | sing | 1.35Å | 1.33Å | |
| C12 | N6 | sing | 1.35Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 90.0° | 120.0° |
| O1 | C1 | N1 | 90.0° | 120.0° |
| C1 | C2 | H1 | 90.0° | 109.5° |
| C1 | C2 | H2 | 90.0° | 109.5° |
| C1 | C2 | H3 | 90.0° | 109.5° |
| C2 | C1 | N1 | 90.0° | 120.0° |
| H1 | C2 | H2 | 90.0° | 109.4° |
| H1 | C2 | H3 | 90.0° | 109.5° |
| H2 | C2 | H3 | 90.0° | 109.4° |
| C3 | N1 | H4 | 90.0° | 120.0° |
| N1 | C3 | C4 | 90.0° | 109.5° |
| N1 | C3 | C5 | 90.0° | 109.5° |
| N1 | C3 | H5 | 90.0° | 109.5° |
| C3 | N1 | C1 | 90.0° | 120.0° |
| H4 | N1 | C1 | 90.0° | 120.0° |
| C4 | C3 | C5 | 90.0° | 109.5° |
| C4 | C3 | H5 | 90.0° | 109.5° |
| C3 | C4 | O2 | 90.0° | 120.0° |
| C3 | C4 | N2 | 90.0° | 120.0° |
| C5 | C3 | H5 | 90.0° | 109.4° |
| C3 | C5 | O3 | 90.0° | 109.5° |
| C3 | C5 | C6 | 90.0° | 109.4° |
| C3 | C5 | H6 | 90.0° | 109.5° |
| O2 | C4 | N2 | 90.0° | 120.0° |
| O3 | C5 | C6 | 90.0° | 109.5° |
| O3 | C5 | H6 | 90.0° | 109.5° |
| C5 | O3 | H7 | 90.0° | 113.9° |
| C6 | C5 | H6 | 90.0° | 109.5° |
| C5 | C6 | H8 | 90.0° | 109.5° |
| C5 | C6 | H9 | 90.0° | 109.4° |
| C5 | C6 | H10 | 90.0° | 109.5° |
| H8 | C6 | H9 | 90.0° | 109.5° |
| H8 | C6 | H10 | 90.0° | 109.5° |
| H9 | C6 | H10 | 90.0° | 109.4° |
| C7 | N2 | H11 | 143.9° | 120.1° |
| N2 | C7 | C8 | 111.6° | 109.4° |
| N2 | C7 | C9 | 110.0° | 109.5° |
| N2 | C7 | H12 | 109.1° | 109.5° |
| C7 | N2 | C4 | 72.2° | 120.0° |
| H11 | N2 | C4 | 143.9° | 119.9° |
| C8 | C7 | C9 | 109.5° | 109.5° |
| C8 | C7 | H12 | 108.5° | 109.4° |
| C7 | C8 | O4 | 120.5° | 120.0° |
| C7 | C8 | N3 | 116.6° | 120.0° |
| C9 | C7 | H12 | 108.1° | 109.5° |
| C7 | C9 | C10 | 109.5° | 109.5° |
| C7 | C9 | H13 | 109.5° | 109.5° |
| C7 | C9 | H14 | 109.5° | 109.4° |
| O4 | C8 | N3 | 123.0° | 120.0° |
| C10 | C9 | H13 | 109.5° | 109.5° |
| C10 | C9 | H14 | 109.5° | 109.4° |
| C9 | C10 | O5 | 118.5° | 120.0° |
| C9 | C10 | O6 | 118.5° | 120.0° |
| H13 | C9 | H14 | 109.4° | 109.5° |
| O5 | C10 | O6 | 123.0° | 120.0° |
| C10 | O6 | H15 | 109.5° | 117.0° |
| C11 | N3 | H16 | 119.2° | 120.0° |
| N3 | C11 | C12 | 111.6° | 109.5° |
| N3 | C11 | H17 | 109.1° | 109.5° |
| N3 | C11 | C13 | 110.1° | 109.5° |
| C11 | N3 | C8 | 121.6° | 119.9° |
| H16 | N3 | C8 | 119.2° | 120.0° |
| C12 | C11 | H17 | 108.4° | 109.5° |
| C11 | C12 | O7 | 119.7° | 120.0° |
| C12 | C11 | C13 | 109.5° | 109.5° |
| C11 | C12 | N6 | 119.2° | 120.0° |
| H17 | C11 | C13 | 108.1° | 109.5° |
| O7 | C12 | N6 | 121.2° | 120.0° |
| C11 | C13 | C14 | 111.0° | 109.5° |
| C11 | C13 | H18 | 109.0° | 109.5° |
| C11 | C13 | H19 | 109.1° | 109.5° |
| C14 | C13 | H18 | 109.1° | 109.5° |
| C14 | C13 | H19 | 109.0° | 109.5° |
| C13 | C14 | C15 | 111.0° | 109.5° |
| C13 | C14 | H20 | 109.1° | 109.5° |
| C13 | C14 | H21 | 109.1° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| C15 | C14 | H20 | 109.1° | 109.5° |
| C15 | C14 | H21 | 109.1° | 109.4° |
| C14 | C15 | N4 | 112.0° | 109.5° |
| C14 | C15 | H22 | 108.8° | 109.5° |
| C14 | C15 | H23 | 108.8° | 109.4° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| N4 | C15 | H22 | 108.8° | 109.4° |
| N4 | C15 | H23 | 108.8° | 109.4° |
| C15 | N4 | H24 | 119.3° | 120.0° |
| C15 | N4 | C16 | 121.5° | 120.0° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | N4 | C16 | 119.2° | 120.0° |
| N4 | C16 | N5 | 122.3° | 120.0° |
| N4 | C16 | C17 | 118.8° | 120.0° |
| N5 | C16 | C17 | 118.9° | 120.0° |
| C16 | N5 | H27 | 112.0° | 120.0° |
| C16 | C17 | F1 | 23.0° | 109.5° |
| C16 | C17 | H25 | 124.5° | 109.4° |
| C16 | C17 | H26 | 124.4° | 109.5° |
| F1 | C17 | H25 | 124.5° | 109.5° |
| F1 | C17 | H26 | 124.4° | 109.5° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| H28 | N6 | H29 | 120.0° | 120.0° |
| H28 | N6 | C12 | 120.0° | 120.0° |
| H29 | N6 | C12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 90.0° | 179.6° |
| O1 | C1 | C2 | H1 | 90.0° | 0.0° |
| O1 | C1 | C2 | H2 | 90.0° | 120.0° |
| O1 | C1 | C2 | H3 | 90.0° | 120.0° |
| O1 | C1 | N1 | C3 | 90.0° | 0.1° |
| O1 | C1 | N1 | H4 | 90.0° | 180.0° |
| C1 | C2 | H1 | H2 | 90.0° | 120.0° |
| C1 | C2 | H1 | H3 | 90.0° | 120.0° |
| C1 | C2 | H2 | H3 | 90.0° | 120.0° |
| C2 | C1 | N1 | C3 | 90.0° | 179.7° |
| C2 | C1 | N1 | H4 | 90.0° | 0.4° |
| H1 | C2 | H2 | H3 | 90.0° | 119.9° |
| H1 | C2 | C1 | N1 | 90.0° | 179.7° |
| H2 | C2 | C1 | N1 | 90.0° | 59.7° |
| H3 | C2 | C1 | N1 | 90.0° | 60.3° |
| C3 | N1 | H4 | C1 | 90.0° | 179.9° |
| N1 | C3 | C4 | C5 | 90.0° | 120.0° |
| N1 | C3 | C4 | H5 | 90.0° | 120.0° |
| N1 | C3 | C5 | H5 | 90.0° | 120.0° |
| N1 | C3 | C4 | O2 | 90.0° | 13.3° |
| N1 | C3 | C5 | O3 | 90.0° | 60.8° |
| N1 | C3 | C5 | C6 | 90.0° | 59.1° |
| N1 | C3 | C5 | H6 | 90.0° | 179.1° |
| N1 | C3 | C4 | N2 | 90.0° | 166.7° |
| H4 | N1 | C3 | C4 | 90.0° | 24.9° |
| H4 | N1 | C3 | C5 | 90.0° | 95.1° |
| H4 | N1 | C3 | H5 | 90.0° | 145.0° |
| C4 | C3 | C5 | H5 | 90.0° | 120.0° |
| C3 | C4 | O2 | N2 | 90.0° | 180.0° |
| C4 | C3 | C5 | O3 | 90.0° | 59.2° |
| C4 | C3 | C5 | C6 | 90.0° | 179.1° |
| C4 | C3 | C5 | H6 | 90.0° | 60.9° |
| C3 | C4 | N2 | C7 | 90.0° | 177.4° |
| C3 | C4 | N2 | H11 | 90.0° | 2.7° |
| C4 | C3 | N1 | C1 | 90.0° | 155.0° |
| C5 | C3 | C4 | O2 | 90.0° | 106.7° |
| C3 | C5 | O3 | C6 | 90.0° | 120.0° |
| C3 | C5 | O3 | H6 | 90.0° | 120.0° |
| C3 | C5 | C6 | H6 | 90.0° | 120.0° |
| C3 | C5 | O3 | H7 | 90.0° | 60.1° |
| C3 | C5 | C6 | H8 | 90.0° | 52.9° |
| C3 | C5 | C6 | H9 | 90.0° | 172.9° |
| C3 | C5 | C6 | H10 | 90.0° | 67.2° |
| C5 | C3 | N1 | C1 | 90.0° | 85.0° |
| C5 | C3 | C4 | N2 | 90.0° | 73.3° |
| H5 | C3 | C4 | O2 | 90.0° | 133.3° |
| H5 | C3 | C5 | O3 | 90.0° | 179.2° |
| H5 | C3 | C5 | C6 | 90.0° | 60.9° |
| H5 | C3 | C5 | H6 | 90.0° | 59.2° |
| H5 | C3 | N1 | C1 | 90.0° | 34.9° |
| H5 | C3 | C4 | N2 | 90.0° | 46.7° |
| O2 | C4 | N2 | C7 | 90.0° | 2.6° |
| O2 | C4 | N2 | H11 | 90.0° | 177.3° |
| O3 | C5 | C6 | H6 | 90.0° | 120.0° |
| O3 | C5 | C6 | H8 | 90.0° | 172.9° |
| O3 | C5 | C6 | H9 | 90.0° | 67.1° |
| O3 | C5 | C6 | H10 | 90.0° | 52.8° |
| C6 | C5 | O3 | H7 | 90.0° | 180.0° |
| C5 | C6 | H8 | H9 | 90.0° | 119.9° |
| C5 | C6 | H8 | H10 | 90.0° | 120.0° |
| C5 | C6 | H9 | H10 | 90.0° | 120.0° |
| H6 | C5 | O3 | H7 | 90.0° | 59.9° |
| H6 | C5 | C6 | H8 | 90.0° | 67.1° |
| H6 | C5 | C6 | H9 | 90.0° | 52.9° |
| H6 | C5 | C6 | H10 | 90.0° | 172.8° |
| H8 | C6 | H9 | H10 | 90.0° | 120.1° |
| C7 | N2 | H11 | C4 | 179.9° | 180.0° |
| N2 | C7 | C8 | C9 | 122.0° | 120.0° |
| N2 | C7 | C8 | H12 | 120.2° | 120.0° |
| N2 | C7 | C9 | H12 | 119.1° | 120.1° |
| N2 | C7 | C8 | O4 | 147.3° | 0.0° |
| N2 | C7 | C9 | C10 | 147.4° | 65.8° |
| N2 | C7 | C9 | H13 | 27.4° | 54.2° |
| N2 | C7 | C9 | H14 | 92.5° | 174.3° |
| N2 | C7 | C8 | N3 | 32.7° | 180.0° |
| H11 | N2 | C7 | C8 | 162.7° | 42.7° |
| H11 | N2 | C7 | C9 | 41.0° | 77.3° |
| H11 | N2 | C7 | H12 | 77.4° | 162.7° |
| C8 | C7 | C9 | H12 | 118.0° | 120.0° |
| C7 | C8 | O4 | N3 | 180.0° | 179.9° |
| C8 | C7 | C9 | C10 | 89.6° | 174.2° |
| C8 | C7 | C9 | H13 | 150.4° | 65.7° |
| C8 | C7 | C9 | H14 | 30.4° | 54.3° |
| C7 | C8 | N3 | C11 | 178.7° | 179.9° |
| C7 | C8 | N3 | H16 | 1.3° | 0.0° |
| C8 | C7 | N2 | C4 | 17.2° | 137.2° |
| C9 | C7 | C8 | O4 | 90.7° | 119.9° |
| C7 | C9 | C10 | H13 | 120.0° | 120.1° |
| C7 | C9 | C10 | H14 | 120.0° | 120.0° |
| C7 | C9 | H13 | H14 | 120.0° | 120.0° |
| C7 | C9 | C10 | O5 | 32.2° | 9.7° |
| C7 | C9 | C10 | O6 | 147.8° | 170.3° |
| C9 | C7 | N2 | C4 | 138.9° | 102.8° |
| C9 | C7 | C8 | N3 | 89.4° | 60.0° |
| H12 | C7 | C8 | O4 | 27.1° | 120.0° |
| H12 | C7 | C9 | C10 | 28.3° | 54.3° |
| H12 | C7 | C9 | H13 | 91.7° | 174.3° |
| H12 | C7 | C9 | H14 | 148.4° | 65.7° |
| H12 | C7 | N2 | C4 | 102.6° | 17.3° |
| H12 | C7 | C8 | N3 | 152.9° | 60.0° |
| O4 | C8 | N3 | C11 | 1.2° | 0.0° |
| O4 | C8 | N3 | H16 | 178.8° | 179.9° |
| C10 | C9 | H13 | H14 | 120.0° | 120.0° |
| C9 | C10 | O5 | O6 | 180.0° | 180.0° |
| C9 | C10 | O6 | H15 | 180.0° | 180.0° |
| H13 | C9 | C10 | O5 | 87.8° | 129.7° |
| H13 | C9 | C10 | O6 | 92.2° | 50.2° |
| H14 | C9 | C10 | O5 | 152.3° | 110.3° |
| H14 | C9 | C10 | O6 | 27.7° | 69.8° |
| O5 | C10 | O6 | H15 | 0.0° | 0.0° |
| C11 | N3 | H16 | C8 | 180.0° | 179.9° |
| N3 | C11 | C12 | H17 | 120.2° | 120.0° |
| N3 | C11 | C12 | C13 | 122.1° | 120.0° |
| N3 | C11 | H17 | C13 | 119.7° | 120.0° |
| N3 | C11 | C12 | O7 | 129.1° | 0.0° |
| N3 | C11 | C13 | C14 | 168.8° | 65.0° |
| N3 | C11 | C13 | H18 | 71.0° | 55.0° |
| N3 | C11 | C13 | H19 | 48.5° | 175.0° |
| N3 | C11 | C12 | N6 | 50.9° | 180.0° |
| H16 | N3 | C11 | C12 | 110.8° | 94.9° |
| H16 | N3 | C11 | H17 | 129.4° | 145.0° |
| H16 | N3 | C11 | C13 | 10.9° | 25.1° |
| C12 | C11 | H17 | C13 | 118.6° | 120.0° |
| C11 | C12 | O7 | N6 | 180.0° | 179.9° |
| C12 | C11 | C13 | C14 | 45.8° | 175.0° |
| C12 | C11 | C13 | H18 | 166.0° | 65.0° |
| C12 | C11 | C13 | H19 | 74.4° | 55.0° |
| C11 | C12 | N6 | H28 | 180.0° | 0.0° |
| C11 | C12 | N6 | H29 | 0.0° | 179.9° |
| C12 | C11 | N3 | C8 | 69.2° | 85.0° |
| H17 | C11 | C12 | O7 | 8.9° | 120.0° |
| H17 | C11 | C13 | C14 | 72.2° | 55.0° |
| H17 | C11 | C13 | H18 | 48.1° | 175.0° |
| H17 | C11 | C13 | H19 | 167.6° | 65.0° |
| H17 | C11 | N3 | C8 | 50.6° | 35.0° |
| H17 | C11 | C12 | N6 | 171.1° | 60.0° |
| O7 | C12 | C11 | C13 | 108.8° | 120.0° |
| O7 | C12 | N6 | H28 | 0.0° | 179.9° |
| O7 | C12 | N6 | H29 | 180.0° | 0.0° |
| C11 | C13 | C14 | H18 | 120.2° | 120.0° |
| C11 | C13 | C14 | H19 | 120.2° | 120.0° |
| C11 | C13 | H18 | H19 | 119.3° | 120.0° |
| C11 | C13 | C14 | C15 | 123.8° | 180.0° |
| C11 | C13 | C14 | H20 | 116.0° | 60.0° |
| C11 | C13 | C14 | H21 | 3.6° | 60.0° |
| C13 | C11 | N3 | C8 | 169.1° | 155.0° |
| C13 | C11 | C12 | N6 | 71.2° | 60.0° |
| C14 | C13 | H18 | H19 | 119.3° | 120.0° |
| C13 | C14 | C15 | H20 | 120.2° | 120.0° |
| C13 | C14 | C15 | H21 | 120.2° | 120.0° |
| C13 | C14 | H20 | H21 | 119.3° | 120.0° |
| C13 | C14 | C15 | N4 | 163.6° | 180.0° |
| C13 | C14 | C15 | H22 | 76.0° | 60.0° |
| C13 | C14 | C15 | H23 | 43.2° | 60.0° |
| H18 | C13 | C14 | C15 | 3.6° | 60.0° |
| H18 | C13 | C14 | H20 | 123.8° | 180.0° |
| H18 | C13 | C14 | H21 | 116.6° | 59.9° |
| H19 | C13 | C14 | C15 | 115.9° | 60.0° |
| H19 | C13 | C14 | H20 | 4.3° | 60.0° |
| H19 | C13 | C14 | H21 | 123.8° | 179.9° |
| C15 | C14 | H20 | H21 | 119.3° | 119.9° |
| C14 | C15 | N4 | H22 | 120.4° | 120.0° |
| C14 | C15 | N4 | H23 | 120.4° | 120.0° |
| C14 | C15 | H22 | H23 | 118.9° | 120.0° |
| C14 | C15 | N4 | H24 | 51.5° | 0.0° |
| C14 | C15 | N4 | C16 | 128.5° | 180.0° |
| H20 | C14 | C15 | N4 | 43.4° | 60.0° |
| H20 | C14 | C15 | H22 | 163.8° | 180.0° |
| H20 | C14 | C15 | H23 | 77.0° | 60.0° |
| H21 | C14 | C15 | N4 | 76.2° | 60.0° |
| H21 | C14 | C15 | H22 | 44.2° | 60.0° |
| H21 | C14 | C15 | H23 | 163.5° | 180.0° |
| N4 | C15 | H22 | H23 | 118.9° | 120.0° |
| C15 | N4 | H24 | C16 | 180.0° | 180.0° |
| C15 | N4 | C16 | N5 | 177.4° | 0.0° |
| C15 | N4 | C16 | C17 | 2.6° | 180.0° |
| H22 | C15 | N4 | H24 | 68.9° | 120.0° |
| H22 | C15 | N4 | C16 | 111.1° | 60.0° |
| H23 | C15 | N4 | H24 | 171.9° | 120.0° |
| H23 | C15 | N4 | C16 | 8.1° | 60.0° |
| H24 | N4 | C16 | N5 | 2.6° | 180.0° |
| H24 | N4 | C16 | C17 | 177.4° | 0.0° |
| N4 | C16 | N5 | C17 | 180.0° | 180.0° |
| N4 | C16 | C17 | F1 | 155.0° | 180.0° |
| N4 | C16 | C17 | H25 | 57.0° | 60.0° |
| N4 | C16 | C17 | H26 | 106.9° | 59.9° |
| N4 | C16 | N5 | H27 | 179.9° | 180.0° |
| N5 | C16 | C17 | F1 | 25.0° | 0.0° |
| N5 | C16 | C17 | H25 | 123.1° | 120.0° |
| N5 | C16 | C17 | H26 | 73.0° | 120.0° |
| C16 | C17 | F1 | H25 | 98.0° | 120.0° |
| C16 | C17 | F1 | H26 | 98.0° | 120.0° |
| C16 | C17 | H25 | H26 | 166.0° | 120.0° |
| C17 | C16 | N5 | H27 | 0.0° | 0.0° |
| F1 | C17 | H25 | H26 | 166.0° | 120.0° |
| H28 | N6 | H29 | C12 | 180.0° | 179.9° |
