@MOLECULE 8-quinolyl phosphate 49 54 0 0 0 SMALL USER_CHARGES @ATOM 1 P 0.0219 -0.0207 0.7569 P.3 1 UNL111111 0.3708 2 O -0.1524 1.3670 -0.0375 O.3 1 UNL111111 -0.1208 3 O -1.0518 -0.8505 -0.0999 O.3 1 UNL111111 -0.0999 4 O 1.3137 -0.5115 -0.0687 O.3 1 UNL111111 -0.1227 5 O 0.0205 -0.0394 2.2036 O.2 1 UNL111111 -0.2992 6 N 0.4581 3.6975 -1.0951 N.ar 1 UNL111111 -0.2596 7 N -3.4368 -1.4043 -1.0592 N.ar 1 UNL111111 -0.2786 8 N 2.8408 -2.3082 -1.0665 N.ar 1 UNL111111 -0.2337 9 C -1.0100 2.3531 0.3809 C.ar 1 UNL111111 0.2452 10 C -1.4934 -2.0918 0.3069 C.ar 1 UNL111111 0.2291 11 C 2.6032 -0.3293 0.3577 C.ar 1 UNL111111 0.2660 12 C -0.6578 3.5863 -0.2483 C.ar 1 UNL111111 0.0685 13 C -2.7734 -2.3559 -0.2698 C.ar 1 UNL111111 0.0712 14 C 3.4618 -1.2863 -0.2892 C.ar 1 UNL111111 0.0298 15 C -1.4367 4.7521 -0.0346 C.ar 1 UNL111111 -0.0534 16 C -3.4040 -3.6090 -0.0603 C.ar 1 UNL111111 -0.0599 17 C 4.8798 -1.1659 -0.1312 C.ar 1 UNL111111 -0.0420 18 C -2.1127 2.3108 1.2137 C.ar 1 UNL111111 -0.2307 19 C -0.8737 -3.0601 1.0719 C.ar 1 UNL111111 -0.2196 20 C 3.1457 0.6278 1.1911 C.ar 1 UNL111111 -0.2517 21 C -2.5428 4.6760 0.8423 C.ar 1 UNL111111 -0.2071 22 C -2.7560 -4.5660 0.7560 C.ar 1 UNL111111 -0.2006 23 C 5.3941 -0.1647 0.7215 C.ar 1 UNL111111 -0.2205 24 C -2.8642 3.4808 1.4439 C.ar 1 UNL111111 -0.0927 25 C -1.5233 -4.2904 1.3022 C.ar 1 UNL111111 -0.1009 26 C 4.5417 0.6873 1.3831 C.ar 1 UNL111111 -0.0783 27 C -1.0854 5.9773 -0.7025 C.ar 1 UNL111111 -0.1152 28 C -4.6746 -3.8737 -0.6797 C.ar 1 UNL111111 -0.1166 29 C 5.8071 -2.0738 -0.8134 C.ar 1 UNL111111 -0.0405 30 C 0.0036 6.0458 -1.5382 C.ar 1 UNL111111 -0.1658 31 C -5.2839 -2.9299 -1.4706 C.ar 1 UNL111111 -0.1730 32 C 5.0978 -2.9602 -1.5232 C.ar 1 UNL111111 -0.1666 33 C 0.6605 4.8094 -1.6166 C.ar 1 UNL111111 0.0876 34 C -4.5335 -1.7462 -1.5530 C.ar 1 UNL111111 0.0626 35 C 3.8127 -2.9807 -1.5732 C.ar 1 UNL111111 0.1414 36 H -2.4423 1.3938 1.7091 H 1 UNL111111 0.1907 37 H 0.1174 -2.9214 1.5104 H 1 UNL111111 0.1895 38 H 2.5295 1.3618 1.7156 H 1 UNL111111 0.1895 39 H -3.1284 5.5721 1.0333 H 1 UNL111111 0.1579 40 H -3.2453 -5.5193 0.9391 H 1 UNL111111 0.1571 41 H 6.4717 -0.0877 0.8479 H 1 UNL111111 0.1598 42 H -3.7227 3.4201 2.1157 H 1 UNL111111 0.1558 43 H -1.0240 -5.0298 1.9289 H 1 UNL111111 0.1554 44 H 4.9454 1.4341 2.0696 H 1 UNL111111 0.1533 45 H -1.7173 6.8499 -0.5385 H 1 UNL111111 0.1680 46 H -5.1366 -4.8458 -0.5113 H 1 UNL111111 0.1661 47 H 6.8766 -1.9893 -0.7077 H 1 UNL111111 0.1742 48 H 0.3222 6.9263 -2.0784 H 1 UNL111111 0.1811 49 H -6.2271 -3.0634 -1.9814 H 1 UNL111111 0.1788 @BOND 1 48 30 1 2 49 31 1 3 33 30 ar 4 33 6 ar 5 34 31 ar 6 34 7 ar 7 35 32 ar 8 35 8 ar 9 30 27 ar 10 32 29 ar 11 31 28 ar 12 6 12 ar 13 7 13 ar 14 8 14 ar 15 29 47 1 16 29 17 ar 17 27 45 1 18 27 15 ar 19 28 46 1 20 28 16 ar 21 14 17 ar 22 14 11 ar 23 13 16 ar 24 13 10 ar 25 12 15 ar 26 12 9 ar 27 17 23 ar 28 3 10 1 29 3 1 1 30 16 22 ar 31 4 11 1 32 4 1 1 33 15 21 ar 34 2 9 1 35 2 1 1 36 10 19 ar 37 11 20 ar 38 9 18 ar 39 23 41 1 40 23 26 ar 41 22 40 1 42 22 25 ar 43 1 5 2 44 21 39 1 45 21 24 ar 46 19 25 ar 47 19 37 1 48 20 26 ar 49 20 38 1 50 18 24 ar 51 18 36 1 52 25 43 1 53 26 44 1 54 24 42 1