17I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N15 | sing | 1.46Å | 1.47Å | |
| N15 | C14 | sing | 1.37Å | 1.38Å | |
| C14 | N18 | doub | 1.30Å | 1.33Å | |
| C14 | N13 | sing | 1.38Å | 1.36Å | |
| N13 | C12 | sing | 1.35Å | 1.40Å | |
| C12 | O19 | doub | 1.22Å | 1.21Å | |
| C12 | N11 | sing | 1.35Å | 1.40Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| N11 | C10 | sing | 1.40Å | 1.40Å | |
| C08 | C07 | sing | 1.51Å | 1.54Å | |
| C10 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C07 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| N11 | H17 | sing | 0.97Å | 1.00Å | |
| N13 | H18 | sing | 0.97Å | 1.00Å | |
| N15 | H19 | sing | 0.97Å | 1.00Å | |
| N18 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N15 | C14 | 121.8° | 120.0° |
| N15 | C16 | H1 | 109.5° | 109.5° |
| N15 | C16 | H2 | 109.5° | 109.5° |
| N15 | C16 | H3 | 109.5° | 109.5° |
| C16 | N15 | H19 | 119.1° | 120.0° |
| N15 | C14 | N18 | 122.3° | 120.0° |
| N15 | C14 | N13 | 117.6° | 120.0° |
| C14 | N15 | H19 | 119.1° | 120.0° |
| N18 | C14 | N13 | 120.2° | 120.0° |
| C14 | N18 | H20 | 112.0° | 120.0° |
| C14 | N13 | C12 | 127.9° | 120.0° |
| C14 | N13 | H18 | 116.0° | 120.0° |
| N13 | C12 | O19 | 121.1° | 120.0° |
| N13 | C12 | N11 | 113.9° | 120.1° |
| C12 | N13 | H18 | 116.0° | 120.0° |
| O19 | C12 | N11 | 125.0° | 120.0° |
| C12 | N11 | C10 | 123.3° | 120.0° |
| C12 | N11 | H17 | 118.4° | 119.9° |
| C09 | C08 | C07 | 119.9° | 109.5° |
| C09 | C08 | H12 | 106.8° | 109.5° |
| C09 | C08 | H13 | 106.8° | 109.5° |
| C08 | C09 | H14 | 109.5° | 109.4° |
| C08 | C09 | H15 | 109.5° | 109.4° |
| C08 | C09 | H16 | 109.5° | 109.4° |
| N11 | C10 | C07 | 124.8° | 120.1° |
| N11 | C10 | C03 | 114.0° | 120.1° |
| C10 | N11 | H17 | 118.4° | 120.1° |
| C08 | C07 | C10 | 124.2° | 120.0° |
| C08 | C07 | C06 | 116.7° | 120.0° |
| C07 | C08 | H12 | 106.8° | 109.5° |
| C07 | C08 | H13 | 106.8° | 109.5° |
| C07 | C10 | C03 | 121.2° | 119.9° |
| C10 | C07 | C06 | 119.1° | 120.0° |
| C10 | C03 | C02 | 122.8° | 120.1° |
| C10 | C03 | C04 | 119.6° | 119.9° |
| C03 | C02 | C01 | 119.0° | 109.4° |
| C02 | C03 | C04 | 117.5° | 120.0° |
| C03 | C02 | H7 | 107.0° | 109.5° |
| C03 | C02 | H8 | 107.1° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C01 | C02 | H7 | 107.0° | 109.4° |
| C01 | C02 | H8 | 107.0° | 109.5° |
| C07 | C06 | C05 | 120.3° | 120.1° |
| C07 | C06 | H11 | 119.9° | 120.0° |
| C03 | C04 | C05 | 120.3° | 120.1° |
| C03 | C04 | H9 | 119.9° | 120.0° |
| C06 | C05 | C04 | 119.5° | 120.1° |
| C06 | C05 | H10 | 120.2° | 119.9° |
| C05 | C06 | H11 | 119.9° | 119.9° |
| C05 | C04 | H9 | 119.9° | 119.9° |
| C04 | C05 | H10 | 120.3° | 120.0° |
| H1 | C16 | H2 | 109.5° | 109.5° |
| H1 | C16 | H3 | 109.4° | 109.4° |
| H2 | C16 | H3 | 109.5° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.4° | 109.5° |
| H7 | C02 | H8 | 109.5° | 109.5° |
| H12 | C08 | H13 | 109.5° | 109.5° |
| H14 | C09 | H15 | 109.5° | 109.5° |
| H14 | C09 | H16 | 109.5° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N15 | C14 | H19 | 180.0° | 180.0° |
| C16 | N15 | C14 | N18 | 1.1° | 0.0° |
| C16 | N15 | C14 | N13 | 178.3° | 180.0° |
| N15 | C16 | H1 | H2 | 120.0° | 120.1° |
| N15 | C16 | H1 | H3 | 120.0° | 120.0° |
| N15 | C16 | H2 | H3 | 120.0° | 120.0° |
| N15 | C14 | N18 | N13 | 179.4° | 180.0° |
| N15 | C14 | N13 | C12 | 180.0° | 172.5° |
| C14 | N15 | C16 | H1 | 180.0° | 180.0° |
| C14 | N15 | C16 | H2 | 60.0° | 60.0° |
| C14 | N15 | C16 | H3 | 60.0° | 60.0° |
| N15 | C14 | N13 | H18 | 0.0° | 7.5° |
| N15 | C14 | N18 | H20 | 179.4° | 172.9° |
| N18 | C14 | N13 | C12 | 0.6° | 7.6° |
| N18 | C14 | N13 | H18 | 179.5° | 172.5° |
| N18 | C14 | N15 | H19 | 178.9° | 180.0° |
| C14 | N13 | C12 | H18 | 180.0° | 180.0° |
| C14 | N13 | C12 | O19 | 1.3° | 6.9° |
| C14 | N13 | C12 | N11 | 179.8° | 173.1° |
| N13 | C14 | N15 | H19 | 1.7° | 0.0° |
| N13 | C14 | N18 | H20 | 0.0° | 7.1° |
| N13 | C12 | O19 | N11 | 178.7° | 180.0° |
| N13 | C12 | N11 | C10 | 179.3° | 174.9° |
| N13 | C12 | N11 | H17 | 0.7° | 5.0° |
| O19 | C12 | N11 | C10 | 0.5° | 5.1° |
| O19 | C12 | N11 | H17 | 179.4° | 175.0° |
| O19 | C12 | N13 | H18 | 178.7° | 173.1° |
| C12 | N11 | C10 | H17 | 180.0° | 179.9° |
| C12 | N11 | C10 | C07 | 97.2° | 62.3° |
| C12 | N11 | C10 | C03 | 82.0° | 118.1° |
| N11 | C12 | N13 | H18 | 0.1° | 6.9° |
| C09 | C08 | C07 | H12 | 121.5° | 120.0° |
| C09 | C08 | C07 | H13 | 121.5° | 120.0° |
| C09 | C08 | C07 | C10 | 57.1° | 113.6° |
| C09 | C08 | C07 | C06 | 123.7° | 66.4° |
| C09 | C08 | H12 | H13 | 115.3° | 120.0° |
| C08 | C09 | H14 | H15 | 120.0° | 120.0° |
| C08 | C09 | H14 | H16 | 120.0° | 120.0° |
| C08 | C09 | H15 | H16 | 120.0° | 119.9° |
| N11 | C10 | C07 | C08 | 0.7° | 0.3° |
| N11 | C10 | C07 | C03 | 179.1° | 179.6° |
| N11 | C10 | C03 | C02 | 1.2° | 0.4° |
| N11 | C10 | C07 | C06 | 179.8° | 179.7° |
| N11 | C10 | C03 | C04 | 180.0° | 179.7° |
| C08 | C07 | C10 | C06 | 179.1° | 180.0° |
| C08 | C07 | C10 | C03 | 178.5° | 179.9° |
| C08 | C07 | C06 | C05 | 179.1° | 180.0° |
| C08 | C07 | C06 | H11 | 0.9° | 0.0° |
| C07 | C08 | H12 | H13 | 115.3° | 120.0° |
| C07 | C08 | C09 | H14 | 180.0° | 173.0° |
| C07 | C08 | C09 | H15 | 60.0° | 52.9° |
| C07 | C08 | C09 | H16 | 60.0° | 67.0° |
| C07 | C10 | C03 | C02 | 179.5° | 180.0° |
| C07 | C10 | C03 | C04 | 0.7° | 0.1° |
| C10 | C07 | C06 | C05 | 0.1° | 0.0° |
| C10 | C07 | C06 | H11 | 179.9° | 180.0° |
| C10 | C07 | C08 | H12 | 178.6° | 126.4° |
| C10 | C07 | C08 | H13 | 64.3° | 6.4° |
| C07 | C10 | N11 | H17 | 82.8° | 117.8° |
| C10 | C03 | C02 | C04 | 178.8° | 180.0° |
| C10 | C03 | C02 | C01 | 149.1° | 81.0° |
| C03 | C10 | C07 | C06 | 0.7° | 0.1° |
| C10 | C03 | C04 | C05 | 0.2° | 0.0° |
| C10 | C03 | C02 | H7 | 27.8° | 39.0° |
| C10 | C03 | C02 | H8 | 89.5° | 159.0° |
| C10 | C03 | C04 | H9 | 179.8° | 179.9° |
| C03 | C10 | N11 | H17 | 98.0° | 61.9° |
| C03 | C02 | C01 | H7 | 121.3° | 120.0° |
| C03 | C02 | C01 | H8 | 121.4° | 120.0° |
| C02 | C03 | C04 | C05 | 179.1° | 180.0° |
| C03 | C02 | C01 | H4 | 180.0° | 55.0° |
| C03 | C02 | C01 | H5 | 60.0° | 65.0° |
| C03 | C02 | C01 | H6 | 60.0° | 175.0° |
| C03 | C02 | H7 | H8 | 115.7° | 120.1° |
| C02 | C03 | C04 | H9 | 0.9° | 0.0° |
| C01 | C02 | C03 | C04 | 32.1° | 99.1° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | H7 | H8 | 115.7° | 120.0° |
| C07 | C06 | C05 | H11 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.4° | 0.0° |
| C07 | C06 | C05 | H10 | 179.6° | 180.0° |
| C06 | C07 | C08 | H12 | 2.3° | 53.6° |
| C06 | C07 | C08 | H13 | 114.8° | 173.6° |
| C03 | C04 | C05 | C06 | 0.4° | 0.0° |
| C03 | C04 | C05 | H9 | 180.0° | 180.0° |
| C04 | C03 | C02 | H7 | 153.4° | 141.0° |
| C04 | C03 | C02 | H8 | 89.3° | 20.9° |
| C03 | C04 | C05 | H10 | 179.7° | 180.0° |
| C06 | C05 | C04 | H10 | 180.0° | 180.0° |
| C06 | C05 | C04 | H9 | 179.7° | 180.0° |
| C04 | C05 | C06 | H11 | 179.6° | 180.0° |
| H1 | C16 | H2 | H3 | 120.0° | 119.9° |
| H1 | C16 | N15 | H19 | 0.0° | 0.1° |
| H2 | C16 | N15 | H19 | 120.0° | 120.0° |
| H3 | C16 | N15 | H19 | 120.0° | 120.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H4 | C01 | C02 | H7 | 58.7° | 65.0° |
| H4 | C01 | C02 | H8 | 58.6° | 175.1° |
| H5 | C01 | C02 | H7 | 178.7° | 175.0° |
| H5 | C01 | C02 | H8 | 61.4° | 55.1° |
| H6 | C01 | C02 | H7 | 61.4° | 55.1° |
| H6 | C01 | C02 | H8 | 178.7° | 64.9° |
| H9 | C04 | C05 | H10 | 0.3° | 0.0° |
| H10 | C05 | C06 | H11 | 0.4° | 0.0° |
| H12 | C08 | C09 | H14 | 58.5° | 67.0° |
| H12 | C08 | C09 | H15 | 61.5° | 173.0° |
| H12 | C08 | C09 | H16 | 178.6° | 53.0° |
| H13 | C08 | C09 | H14 | 58.5° | 53.0° |
| H13 | C08 | C09 | H15 | 178.5° | 67.0° |
| H13 | C08 | C09 | H16 | 61.5° | 173.0° |
| H14 | C09 | H15 | H16 | 120.0° | 120.1° |
