0TF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C8 | doub | 1.21Å | 1.27Å | |
| O10 | C8 | sing | 1.34Å | 1.26Å | |
| C8 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | N7 | sing | 1.47Å | 1.47Å | |
| N13 | C12 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| N6 | C5 | sing | 1.47Å | 1.49Å | |
| N6 | C11 | sing | 1.35Å | 1.38Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | O18 | doub | 1.21Å | 1.24Å | |
| C12 | C14 | sing | 1.53Å | 1.57Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | N17 | sing | 1.47Å | 1.48Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| N17 | H8 | sing | 1.01Å | 1.00Å | |
| N17 | H9 | sing | 1.01Å | 1.00Å | |
| N13 | H11 | sing | 1.01Å | 1.00Å | |
| N13 | H12 | sing | 1.01Å | 1.00Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| N7 | H24 | sing | 1.01Å | 1.00Å | |
| N7 | H25 | sing | 1.01Å | 1.00Å | |
| O10 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C8 | O10 | 122.0° | 120.0° |
| O9 | C8 | C1 | 120.1° | 120.0° |
| O10 | C8 | C1 | 117.9° | 120.0° |
| C8 | O10 | H27 | 109.5° | 117.0° |
| C8 | C1 | C2 | 111.8° | 109.5° |
| C8 | C1 | N7 | 110.7° | 109.5° |
| C8 | C1 | H23 | 108.6° | 109.5° |
| C2 | C1 | N7 | 108.2° | 109.5° |
| C1 | C2 | C3 | 115.0° | 109.5° |
| C1 | C2 | H21 | 108.0° | 109.5° |
| C1 | C2 | H22 | 108.0° | 109.5° |
| C2 | C1 | H23 | 108.2° | 109.4° |
| N7 | C1 | H23 | 109.3° | 109.5° |
| C1 | N7 | H24 | 109.5° | 111.0° |
| C1 | N7 | H25 | 109.5° | 111.0° |
| N13 | C12 | C11 | 103.8° | 109.4° |
| N13 | C12 | C14 | 109.6° | 109.5° |
| N13 | C12 | H1 | 108.2° | 109.5° |
| C12 | N13 | H11 | 109.5° | 111.0° |
| C12 | N13 | H12 | 109.5° | 111.0° |
| C2 | C3 | C4 | 113.1° | 109.5° |
| C2 | C3 | H19 | 108.6° | 109.5° |
| C2 | C3 | H20 | 108.6° | 109.5° |
| C3 | C2 | H21 | 108.1° | 109.5° |
| C3 | C2 | H22 | 108.1° | 109.5° |
| C3 | C4 | C5 | 114.2° | 109.5° |
| C3 | C4 | H17 | 108.3° | 109.5° |
| C3 | C4 | H18 | 108.3° | 109.5° |
| C4 | C3 | H19 | 108.5° | 109.4° |
| C4 | C3 | H20 | 108.6° | 109.5° |
| C4 | C5 | N6 | 113.4° | 109.5° |
| C4 | C5 | H15 | 108.5° | 109.5° |
| C4 | C5 | H16 | 108.5° | 109.5° |
| C5 | C4 | H17 | 108.3° | 109.4° |
| C5 | C4 | H18 | 108.3° | 109.5° |
| C5 | N6 | C11 | 126.5° | 120.0° |
| C5 | N6 | H14 | 116.8° | 119.9° |
| N6 | C5 | H15 | 108.5° | 109.5° |
| N6 | C5 | H16 | 108.5° | 109.5° |
| N6 | C11 | C12 | 115.2° | 120.0° |
| N6 | C11 | O18 | 124.7° | 120.0° |
| C11 | N6 | H14 | 116.7° | 120.1° |
| C12 | C11 | O18 | 119.9° | 120.0° |
| C11 | C12 | C14 | 120.2° | 109.5° |
| C11 | C12 | H1 | 107.5° | 109.5° |
| C12 | C14 | C15 | 113.2° | 109.5° |
| C14 | C12 | H1 | 107.0° | 109.5° |
| C12 | C14 | H2 | 108.5° | 109.5° |
| C12 | C14 | H3 | 108.5° | 109.5° |
| C14 | C15 | C16 | 113.6° | 109.5° |
| C15 | C14 | H2 | 108.5° | 109.5° |
| C15 | C14 | H3 | 108.5° | 109.5° |
| C14 | C15 | H4 | 108.4° | 109.5° |
| C14 | C15 | H5 | 108.4° | 109.5° |
| C15 | C16 | N17 | 107.5° | 109.5° |
| C16 | C15 | H4 | 108.5° | 109.4° |
| C16 | C15 | H5 | 108.4° | 109.5° |
| C15 | C16 | H6 | 109.9° | 109.5° |
| C15 | C16 | H7 | 110.0° | 109.5° |
| N17 | C16 | H6 | 110.0° | 109.4° |
| N17 | C16 | H7 | 109.9° | 109.5° |
| C16 | N17 | H8 | 109.5° | 111.0° |
| C16 | N17 | H9 | 109.5° | 111.0° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H8 | N17 | H9 | 109.5° | 111.0° |
| H11 | N13 | H12 | 109.5° | 111.0° |
| H15 | C5 | H16 | 109.5° | 109.4° |
| H17 | C4 | H18 | 109.5° | 109.5° |
| H19 | C3 | H20 | 109.5° | 109.4° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H24 | N7 | H25 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C8 | O10 | C1 | 178.4° | 180.0° |
| O9 | C8 | C1 | C2 | 68.9° | 100.0° |
| O9 | C8 | C1 | N7 | 170.4° | 20.0° |
| O9 | C8 | C1 | H23 | 50.4° | 140.0° |
| O9 | C8 | O10 | H27 | 0.0° | 0.0° |
| O10 | C8 | C1 | C2 | 109.6° | 80.0° |
| O10 | C8 | C1 | N7 | 11.2° | 160.0° |
| O10 | C8 | C1 | H23 | 131.1° | 40.0° |
| C8 | C1 | C2 | N7 | 122.2° | 120.0° |
| C8 | C1 | C2 | H23 | 119.6° | 120.0° |
| C8 | C1 | N7 | H23 | 119.6° | 120.0° |
| C8 | C1 | C2 | C3 | 51.3° | 175.0° |
| C8 | C1 | C2 | H21 | 69.5° | 55.0° |
| C8 | C1 | C2 | H22 | 172.1° | 65.0° |
| C8 | C1 | N7 | H24 | 180.0° | 60.0° |
| C8 | C1 | N7 | H25 | 60.0° | 176.1° |
| C1 | C8 | O10 | H27 | 178.4° | 180.0° |
| C2 | C1 | N7 | H23 | 117.6° | 120.0° |
| C1 | C2 | C3 | H21 | 120.8° | 120.0° |
| C1 | C2 | C3 | H22 | 120.8° | 120.0° |
| C1 | C2 | C3 | C4 | 178.3° | 180.0° |
| C1 | C2 | C3 | H19 | 57.7° | 60.0° |
| C1 | C2 | C3 | H20 | 61.2° | 60.0° |
| C1 | C2 | H21 | H22 | 117.4° | 120.0° |
| C2 | C1 | N7 | H24 | 57.2° | 60.0° |
| C2 | C1 | N7 | H25 | 177.2° | 63.9° |
| N7 | C1 | C2 | C3 | 70.9° | 65.0° |
| N7 | C1 | C2 | H21 | 168.3° | 175.0° |
| N7 | C1 | C2 | H22 | 49.9° | 55.0° |
| C1 | N7 | H24 | H25 | 120.0° | 124.0° |
| N13 | C12 | C11 | N6 | 85.2° | 159.8° |
| N13 | C12 | C11 | C14 | 122.9° | 120.0° |
| N13 | C12 | C11 | H1 | 114.5° | 120.0° |
| N13 | C12 | C11 | O18 | 90.2° | 20.0° |
| N13 | C12 | C14 | H1 | 117.1° | 120.0° |
| N13 | C12 | C14 | C15 | 90.1° | 65.0° |
| N13 | C12 | C14 | H2 | 30.4° | 175.0° |
| N13 | C12 | C14 | H3 | 149.3° | 55.0° |
| C12 | N13 | H11 | H12 | 120.0° | 123.9° |
| C2 | C3 | C4 | H19 | 120.6° | 120.0° |
| C2 | C3 | C4 | H20 | 120.5° | 120.0° |
| C2 | C3 | C4 | C5 | 153.2° | 180.0° |
| C2 | C3 | C4 | H17 | 86.1° | 60.0° |
| C2 | C3 | C4 | H18 | 32.6° | 60.0° |
| C2 | C3 | H19 | H20 | 118.4° | 120.0° |
| C3 | C2 | H21 | H22 | 117.5° | 120.0° |
| C3 | C2 | C1 | H23 | 170.9° | 55.0° |
| C3 | C4 | C5 | H17 | 120.7° | 120.0° |
| C3 | C4 | C5 | H18 | 120.7° | 120.0° |
| C3 | C4 | C5 | N6 | 157.4° | 180.0° |
| C3 | C4 | C5 | H15 | 82.0° | 60.0° |
| C3 | C4 | C5 | H16 | 36.8° | 60.0° |
| C3 | C4 | H17 | H18 | 117.9° | 120.0° |
| C4 | C3 | H19 | H20 | 118.3° | 120.0° |
| C4 | C3 | C2 | H21 | 60.9° | 60.0° |
| C4 | C3 | C2 | H22 | 57.5° | 60.0° |
| C4 | C5 | N6 | H15 | 120.6° | 120.0° |
| C4 | C5 | N6 | H16 | 120.6° | 120.0° |
| C4 | C5 | N6 | C11 | 173.6° | 180.0° |
| C4 | C5 | N6 | H14 | 6.4° | 0.0° |
| C4 | C5 | H15 | H16 | 118.2° | 120.0° |
| C5 | C4 | H17 | H18 | 117.9° | 120.0° |
| C5 | C4 | C3 | H19 | 32.7° | 60.0° |
| C5 | C4 | C3 | H20 | 86.2° | 60.0° |
| C5 | N6 | C11 | H14 | 180.0° | 180.0° |
| C5 | N6 | C11 | C12 | 173.1° | 180.0° |
| C5 | N6 | C11 | O18 | 11.7° | 0.2° |
| N6 | C5 | H15 | H16 | 118.2° | 120.0° |
| N6 | C5 | C4 | H17 | 36.7° | 60.0° |
| N6 | C5 | C4 | H18 | 82.0° | 60.0° |
| N6 | C11 | C12 | O18 | 175.4° | 179.8° |
| N6 | C11 | C12 | C14 | 151.9° | 80.3° |
| N6 | C11 | C12 | H1 | 29.3° | 39.7° |
| C11 | N6 | C5 | H15 | 65.8° | 59.9° |
| C11 | N6 | C5 | H16 | 53.1° | 60.0° |
| C11 | C12 | C14 | H1 | 122.8° | 120.0° |
| C11 | C12 | C14 | C15 | 30.0° | 175.0° |
| C11 | C12 | C14 | H2 | 150.5° | 55.0° |
| C11 | C12 | C14 | H3 | 90.6° | 65.0° |
| C11 | C12 | N13 | H11 | 180.0° | 60.0° |
| C11 | C12 | N13 | H12 | 60.0° | 64.0° |
| C12 | C11 | N6 | H14 | 6.9° | 0.0° |
| O18 | C11 | C12 | C14 | 32.7° | 100.0° |
| O18 | C11 | C12 | H1 | 155.3° | 140.0° |
| O18 | C11 | N6 | H14 | 168.2° | 179.7° |
| C12 | C14 | C15 | H2 | 120.5° | 120.0° |
| C12 | C14 | C15 | H3 | 120.5° | 120.0° |
| C12 | C14 | C15 | C16 | 160.3° | 180.0° |
| C12 | C14 | H2 | H3 | 118.3° | 120.0° |
| C12 | C14 | C15 | H4 | 79.1° | 60.0° |
| C12 | C14 | C15 | H5 | 39.7° | 60.0° |
| C14 | C12 | N13 | H11 | 50.4° | 60.0° |
| C14 | C12 | N13 | H12 | 69.6° | 176.0° |
| C14 | C15 | C16 | H4 | 120.6° | 120.0° |
| C14 | C15 | C16 | H5 | 120.6° | 120.0° |
| C14 | C15 | C16 | N17 | 179.5° | 180.0° |
| C15 | C14 | C12 | H1 | 152.8° | 55.0° |
| C15 | C14 | H2 | H3 | 118.3° | 120.0° |
| C14 | C15 | H4 | H5 | 118.1° | 120.0° |
| C14 | C15 | C16 | H6 | 60.8° | 60.0° |
| C14 | C15 | C16 | H7 | 59.8° | 60.0° |
| C15 | C16 | N17 | H6 | 119.7° | 120.0° |
| C15 | C16 | N17 | H7 | 119.7° | 120.1° |
| C16 | C15 | C14 | H2 | 39.7° | 60.0° |
| C16 | C15 | C14 | H3 | 79.2° | 60.0° |
| C16 | C15 | H4 | H5 | 118.1° | 120.0° |
| C15 | C16 | H6 | H7 | 120.9° | 120.0° |
| C15 | C16 | N17 | H8 | 180.0° | 180.0° |
| C15 | C16 | N17 | H9 | 60.0° | 56.1° |
| N17 | C16 | C15 | H4 | 58.9° | 60.0° |
| N17 | C16 | C15 | H5 | 59.9° | 60.0° |
| N17 | C16 | H6 | H7 | 120.9° | 120.0° |
| C16 | N17 | H8 | H9 | 120.0° | 123.9° |
| H1 | C12 | C14 | H2 | 86.7° | 65.0° |
| H1 | C12 | C14 | H3 | 32.2° | 175.0° |
| H1 | C12 | N13 | H11 | 66.0° | 180.0° |
| H1 | C12 | N13 | H12 | 174.0° | 56.0° |
| H2 | C14 | C15 | H4 | 160.4° | 180.0° |
| H2 | C14 | C15 | H5 | 80.8° | 60.0° |
| H3 | C14 | C15 | H4 | 41.4° | 60.0° |
| H3 | C14 | C15 | H5 | 160.2° | 180.0° |
| H4 | C15 | C16 | H6 | 178.6° | 180.0° |
| H4 | C15 | C16 | H7 | 60.8° | 60.0° |
| H5 | C15 | C16 | H6 | 59.8° | 60.0° |
| H5 | C15 | C16 | H7 | 179.6° | 180.0° |
| H6 | C16 | N17 | H8 | 60.3° | 60.0° |
| H6 | C16 | N17 | H9 | 179.6° | 176.0° |
| H7 | C16 | N17 | H8 | 60.3° | 59.9° |
| H7 | C16 | N17 | H9 | 59.7° | 64.0° |
| H14 | N6 | C5 | H15 | 114.2° | 120.0° |
| H14 | N6 | C5 | H16 | 126.9° | 120.0° |
| H15 | C5 | C4 | H17 | 157.3° | 180.0° |
| H15 | C5 | C4 | H18 | 38.6° | 60.0° |
| H16 | C5 | C4 | H17 | 83.8° | 60.0° |
| H16 | C5 | C4 | H18 | 157.5° | 180.0° |
| H17 | C4 | C3 | H19 | 153.3° | 179.9° |
| H17 | C4 | C3 | H20 | 34.5° | 60.0° |
| H18 | C4 | C3 | H19 | 88.0° | 60.0° |
| H18 | C4 | C3 | H20 | 153.1° | 180.0° |
| H19 | C3 | C2 | H21 | 178.6° | 180.0° |
| H19 | C3 | C2 | H22 | 63.1° | 60.0° |
| H20 | C3 | C2 | H21 | 59.6° | 60.0° |
| H20 | C3 | C2 | H22 | 178.0° | 180.0° |
| H21 | C2 | C1 | H23 | 50.0° | 65.0° |
| H22 | C2 | C1 | H23 | 68.3° | 175.0° |
| H23 | C1 | N7 | H24 | 60.4° | 180.0° |
| H23 | C1 | N7 | H25 | 59.6° | 56.0° |
