FNX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | CP1 | doub | 1.21Å | 1.24Å | |
| O4 | C4 | doub | 1.22Å | 1.26Å | |
| CP1 | N5 | sing | 1.35Å | 1.30Å | |
| C4 | N3 | sing | 1.32Å | 1.35Å | |
| C4 | C4A | sing | 1.50Å | 1.49Å | |
| N3 | C2 | doub | 1.32Å | 1.37Å | |
| N5 | C4A | sing | 1.47Å | 1.41Å | |
| N5 | C6 | sing | 1.47Å | 1.48Å | |
| C4A | C8A | sing | 1.51Å | 1.49Å | |
| C2 | NA2 | sing | 1.37Å | 1.36Å | |
| C2 | N1 | sing | 1.33Å | 1.36Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | C9 | sing | 1.51Å | 1.54Å | |
| C8A | N1 | doub | 1.30Å | 1.33Å | |
| C8A | N8 | sing | 1.36Å | 1.36Å | |
| C7 | N8 | sing | 1.47Å | 1.47Å | |
| N10 | C9 | doub | 1.29Å | 1.47Å | |
| N10 | C14 | sing | 1.37Å | 1.39Å | |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C | sing | 1.51Å | 1.53Å | |
| CP1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| N8 | H5 | sing | 0.97Å | 1.00Å | |
| C4A | H6 | sing | 1.09Å | 1.10Å | |
| NA2 | H7 | sing | 0.97Å | 1.00Å | |
| NA2 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | CP1 | N5 | 124.7° | 120.0° |
| O3 | CP1 | H1 | 117.7° | 120.1° |
| O4 | C4 | N3 | 120.1° | 119.4° |
| O4 | C4 | C4A | 121.9° | 119.3° |
| CP1 | N5 | C4A | 120.7° | 120.8° |
| CP1 | N5 | C6 | 121.8° | 120.7° |
| N5 | CP1 | H1 | 117.6° | 119.9° |
| N3 | C4 | C4A | 117.9° | 121.3° |
| C4 | N3 | C2 | 122.0° | 122.1° |
| C4 | C4A | N5 | 125.8° | 111.0° |
| C4 | C4A | C8A | 116.8° | 110.2° |
| C4 | C4A | H6 | 90.6° | 109.3° |
| N3 | C2 | NA2 | 118.2° | 119.0° |
| N3 | C2 | N1 | 122.0° | 121.8° |
| C4A | N5 | C6 | 117.3° | 118.5° |
| N5 | C4A | C8A | 117.4° | 107.6° |
| N5 | C4A | H6 | 90.6° | 109.5° |
| N5 | C6 | C7 | 105.1° | 109.8° |
| N5 | C6 | C9 | 112.9° | 109.4° |
| N5 | C6 | H2 | 110.1° | 109.4° |
| C4A | C8A | N1 | 119.2° | 121.6° |
| C4A | C8A | N8 | 120.0° | 116.7° |
| C8A | C4A | H6 | 90.5° | 109.3° |
| NA2 | C2 | N1 | 119.7° | 119.2° |
| C2 | NA2 | H7 | 120.0° | 120.0° |
| C2 | NA2 | H8 | 120.0° | 120.0° |
| C2 | N1 | C8A | 122.0° | 122.4° |
| C7 | C6 | C9 | 110.1° | 109.4° |
| C6 | C7 | N8 | 116.6° | 109.4° |
| C7 | C6 | H2 | 109.2° | 109.4° |
| C6 | C7 | H3 | 107.6° | 109.5° |
| C6 | C7 | H4 | 107.6° | 109.4° |
| C6 | C9 | N10 | 117.5° | 119.9° |
| C9 | C6 | H2 | 109.3° | 109.4° |
| C6 | C9 | H9 | 121.2° | 120.0° |
| N1 | C8A | N8 | 120.8° | 121.7° |
| C8A | N8 | C7 | 120.0° | 116.5° |
| C8A | N8 | H5 | 120.0° | 121.8° |
| N8 | C7 | H3 | 107.7° | 109.5° |
| N8 | C7 | H4 | 107.7° | 109.5° |
| C7 | N8 | H5 | 120.0° | 121.7° |
| C9 | N10 | C14 | 125.4° | 119.9° |
| N10 | C9 | H9 | 121.2° | 120.1° |
| N10 | C14 | C15 | 118.4° | 120.1° |
| N10 | C14 | C13 | 124.6° | 120.1° |
| C14 | C15 | C16 | 122.4° | 119.9° |
| C15 | C14 | C13 | 116.9° | 119.7° |
| C14 | C15 | H12 | 118.8° | 120.1° |
| C15 | C16 | C11 | 121.3° | 120.1° |
| C16 | C15 | H12 | 118.8° | 120.1° |
| C15 | C16 | H13 | 119.4° | 119.9° |
| C14 | C13 | C12 | 121.0° | 119.9° |
| C14 | C13 | H10 | 119.5° | 120.0° |
| C16 | C11 | C12 | 116.5° | 120.2° |
| C16 | C11 | C | 120.3° | 119.9° |
| C11 | C16 | H13 | 119.3° | 119.9° |
| C13 | C12 | C11 | 121.8° | 120.2° |
| C12 | C13 | H10 | 119.5° | 120.1° |
| C13 | C12 | H11 | 119.1° | 120.0° |
| C12 | C11 | C | 123.1° | 119.9° |
| C11 | C12 | H11 | 119.1° | 119.9° |
| C11 | C | H14 | 109.5° | 109.5° |
| C11 | C | H15 | 109.5° | 109.5° |
| C11 | C | H16 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.4° | 109.5° |
| H7 | NA2 | H8 | 120.0° | 120.0° |
| H14 | C | H15 | 109.5° | 109.4° |
| H14 | C | H16 | 109.4° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | CP1 | N5 | H1 | 180.0° | 179.7° |
| O3 | CP1 | N5 | C4A | 168.7° | 175.0° |
| O3 | CP1 | N5 | C6 | 6.0° | 4.8° |
| O4 | C4 | N3 | C4A | 179.2° | 180.0° |
| O4 | C4 | N3 | C2 | 178.2° | 178.1° |
| O4 | C4 | C4A | N5 | 0.3° | 53.4° |
| O4 | C4 | C4A | C8A | 177.8° | 172.5° |
| O4 | C4 | C4A | H6 | 91.4° | 67.4° |
| CP1 | N5 | C4A | C4 | 37.6° | 14.5° |
| CP1 | N5 | C4A | C6 | 175.0° | 179.8° |
| CP1 | N5 | C4A | C8A | 140.4° | 135.2° |
| CP1 | N5 | C6 | C7 | 120.4° | 176.4° |
| CP1 | N5 | C6 | C9 | 119.5° | 56.3° |
| CP1 | N5 | C6 | H2 | 3.0° | 63.5° |
| CP1 | N5 | C4A | H6 | 128.7° | 106.2° |
| N3 | C4 | C4A | N5 | 179.5° | 126.6° |
| N3 | C4 | C4A | C8A | 1.5° | 7.5° |
| C4 | N3 | C2 | NA2 | 179.7° | 176.5° |
| C4 | N3 | C2 | N1 | 0.1° | 3.0° |
| N3 | C4 | C4A | H6 | 89.4° | 112.6° |
| C4A | C4 | N3 | C2 | 1.0° | 1.9° |
| C4 | C4A | N5 | C8A | 178.0° | 120.7° |
| C4 | C4A | N5 | H6 | 91.1° | 120.7° |
| C4 | C4A | N5 | C6 | 147.4° | 165.3° |
| C4 | C4A | C8A | H6 | 90.9° | 120.1° |
| C4 | C4A | C8A | N1 | 1.1° | 9.4° |
| C4 | C4A | C8A | N8 | 179.5° | 170.3° |
| N3 | C2 | NA2 | N1 | 179.8° | 179.5° |
| N3 | C2 | N1 | C8A | 0.4° | 1.0° |
| N3 | C2 | NA2 | H7 | 0.0° | 0.0° |
| N3 | C2 | NA2 | H8 | 180.0° | 180.0° |
| N5 | C4A | C8A | H6 | 90.9° | 118.8° |
| C4A | N5 | C6 | C7 | 54.5° | 3.8° |
| C4A | N5 | C6 | C9 | 65.6° | 123.9° |
| N5 | C4A | C8A | N1 | 179.3° | 130.6° |
| N5 | C4A | C8A | N8 | 2.3° | 49.1° |
| C4A | N5 | CP1 | H1 | 11.3° | 4.7° |
| C4A | N5 | C6 | H2 | 171.9° | 116.3° |
| C6 | N5 | C4A | C8A | 34.6° | 44.6° |
| N5 | C6 | C7 | C9 | 121.9° | 120.1° |
| N5 | C6 | C7 | H2 | 118.0° | 120.1° |
| N5 | C6 | C9 | H2 | 122.9° | 119.8° |
| N5 | C6 | C7 | N8 | 47.4° | 51.2° |
| N5 | C6 | C9 | N10 | 59.6° | 125.1° |
| C6 | N5 | CP1 | H1 | 174.0° | 175.5° |
| N5 | C6 | C7 | H3 | 168.4° | 68.9° |
| N5 | C6 | C7 | H4 | 73.7° | 171.1° |
| C6 | N5 | C4A | H6 | 56.3° | 74.0° |
| N5 | C6 | C9 | H9 | 120.4° | 55.0° |
| C4A | C8A | N1 | C2 | 0.1° | 5.8° |
| C4A | C8A | N1 | N8 | 178.4° | 179.7° |
| C4A | C8A | N8 | C7 | 3.5° | 2.2° |
| C4A | C8A | N8 | H5 | 176.5° | 177.7° |
| NA2 | C2 | N1 | C8A | 179.8° | 178.5° |
| C2 | NA2 | H7 | H8 | 180.0° | 180.0° |
| C2 | N1 | C8A | N8 | 178.6° | 173.9° |
| N1 | C2 | NA2 | H7 | 179.8° | 179.5° |
| N1 | C2 | NA2 | H8 | 0.2° | 0.5° |
| C7 | C6 | C9 | H2 | 120.0° | 119.8° |
| C6 | C7 | N8 | C8A | 21.2° | 49.5° |
| C6 | C7 | N8 | H3 | 121.0° | 120.0° |
| C6 | C7 | N8 | H4 | 121.0° | 119.9° |
| C7 | C6 | C9 | N10 | 176.8° | 114.6° |
| C6 | C7 | H3 | H4 | 116.7° | 120.0° |
| C6 | C7 | N8 | H5 | 158.8° | 130.6° |
| C7 | C6 | C9 | H9 | 3.3° | 65.3° |
| C9 | C6 | C7 | N8 | 74.5° | 171.3° |
| C6 | C9 | N10 | H9 | 180.0° | 179.9° |
| C6 | C9 | N10 | C14 | 172.0° | 180.0° |
| C9 | C6 | C7 | H3 | 46.5° | 51.2° |
| C9 | C6 | C7 | H4 | 164.4° | 68.8° |
| N1 | C8A | N8 | C7 | 174.9° | 177.6° |
| N1 | C8A | N8 | H5 | 5.1° | 2.5° |
| N1 | C8A | C4A | H6 | 89.8° | 110.7° |
| C8A | N8 | C7 | H5 | 180.0° | 179.9° |
| C8A | N8 | C7 | H3 | 142.2° | 70.5° |
| C8A | N8 | C7 | H4 | 99.9° | 169.4° |
| N8 | C8A | C4A | H6 | 88.6° | 69.6° |
| N8 | C7 | C6 | H2 | 165.4° | 68.9° |
| N8 | C7 | H3 | H4 | 116.8° | 120.1° |
| C9 | N10 | C14 | C15 | 173.5° | 45.3° |
| C9 | N10 | C14 | C13 | 4.2° | 135.0° |
| N10 | C9 | C6 | H2 | 63.3° | 5.2° |
| N10 | C14 | C15 | C13 | 177.9° | 179.7° |
| N10 | C14 | C15 | C16 | 178.5° | 179.9° |
| N10 | C14 | C13 | C12 | 177.9° | 179.9° |
| C14 | N10 | C9 | H9 | 8.0° | 0.1° |
| N10 | C14 | C13 | H10 | 2.0° | 0.0° |
| N10 | C14 | C15 | H12 | 1.5° | 0.0° |
| C14 | C15 | C16 | H12 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.8° | 0.1° |
| C15 | C14 | C13 | C12 | 0.2° | 0.2° |
| C15 | C14 | C13 | H10 | 179.8° | 179.7° |
| C14 | C15 | C16 | H13 | 179.2° | 180.0° |
| C16 | C15 | C14 | C13 | 0.6° | 0.2° |
| C15 | C16 | C11 | H13 | 180.0° | 179.9° |
| C15 | C16 | C11 | C12 | 0.6° | 0.4° |
| C15 | C16 | C11 | C | 179.7° | 179.9° |
| C14 | C13 | C12 | H10 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.0° | 0.1° |
| C14 | C13 | C12 | H11 | 180.0° | 179.9° |
| C13 | C14 | C15 | H12 | 179.4° | 179.7° |
| C16 | C11 | C12 | C13 | 0.2° | 0.4° |
| C16 | C11 | C12 | C | 179.6° | 179.7° |
| C16 | C11 | C12 | H11 | 179.8° | 179.8° |
| C11 | C16 | C15 | H12 | 179.2° | 180.0° |
| C16 | C11 | C | H14 | 90.2° | 90.0° |
| C16 | C11 | C | H15 | 149.8° | 150.0° |
| C16 | C11 | C | H16 | 29.8° | 30.0° |
| C13 | C12 | C11 | H11 | 180.0° | 179.9° |
| C13 | C12 | C11 | C | 179.9° | 180.0° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C12 | C11 | C16 | H13 | 179.4° | 179.7° |
| C12 | C11 | C | H14 | 90.2° | 90.3° |
| C12 | C11 | C | H15 | 29.8° | 29.7° |
| C12 | C11 | C | H16 | 149.8° | 149.7° |
| C | C11 | C12 | H11 | 0.2° | 0.1° |
| C | C11 | C16 | H13 | 0.3° | 0.1° |
| C11 | C | H14 | H15 | 120.0° | 120.0° |
| C11 | C | H14 | H16 | 120.0° | 120.0° |
| C11 | C | H15 | H16 | 120.0° | 120.0° |
| H2 | C6 | C7 | H3 | 73.5° | 171.0° |
| H2 | C6 | C7 | H4 | 44.4° | 51.0° |
| H2 | C6 | C9 | H9 | 116.7° | 174.8° |
| H3 | C7 | N8 | H5 | 37.8° | 109.4° |
| H4 | C7 | N8 | H5 | 80.1° | 10.7° |
| H10 | C13 | C12 | H11 | 0.0° | 0.1° |
| H12 | C15 | C16 | H13 | 0.8° | 0.1° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
