@MOLECULE FDBD02232 42 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.2866 1.5098 -3.0414 C.ar 1 UNK -0.0586 2 C1 1.2977 2.1531 -2.3126 C.ar 1 UNK -0.0436 3 C2 0.2951 1.4022 -1.7290 C.ar 1 UNK 0.0279 4 N 0.2725 0.0900 -1.8588 N.ar 1 UNK -0.2583 5 C3 1.1960 -0.5550 -2.5443 C.ar 1 UNK 0.0584 6 C4 2.2293 0.1294 -3.1562 C.ar 1 UNK -0.0388 7 C5 1.1242 -2.0557 -2.6616 C.3 1 UNK 0.0567 8 N1 1.7523 -2.6695 -1.4840 N.pl3 1 UNK -0.2829 9 C6 1.5372 -4.0498 -1.4642 C.ar 1 UNK 0.3176 10 C7 1.3155 -4.8442 -2.5490 C.ar 1 UNK 0.1421 11 C8 1.1494 -6.1689 -2.0846 C.ar 1 UNK 0.1943 12 C9 0.8968 -7.3198 -2.8983 C.1 1 UNK 0.1238 13 N2 0.6964 -8.2329 -3.5438 N.1 1 UNK -0.1891 14 N3 1.2687 -6.1598 -0.7679 N.ar 1 UNK -0.1443 15 N4 1.5173 -4.8445 -0.3565 N.ar 1 UNK -0.0509 16 C10 1.7047 -4.4179 0.9650 C.ar 1 UNK 0.2760 17 C11 0.8893 -3.4279 1.4994 C.ar 1 UNK 0.1168 18 C12 1.0771 -3.0095 2.8034 C.ar 1 UNK -0.0252 19 C13 2.0753 -3.5745 3.5756 C.ar 1 UNK 0.0580 20 C14 2.8890 -4.5596 3.0470 C.ar 1 UNK -0.0252 21 C15 2.7027 -4.9877 1.7459 C.ar 1 UNK 0.1168 22 Cl 3.7249 -6.2245 1.0832 Cl 1 UNK -0.0766 23 C16 2.2772 -3.1153 4.9967 C.3 1 UNK 0.4175 24 F 1.4943 -3.8953 5.8545 F 1 UNK -0.1659 25 F1 3.6257 -3.2510 5.3435 F 1 UNK -0.1659 26 F2 1.8990 -1.7733 5.1112 F 1 UNK -0.1659 27 Cl1 -0.3635 -2.7170 0.5305 Cl 1 UNK -0.0766 28 S 1.2476 -4.3151 -4.2283 S.3 1 UNK -0.0447 29 C17 2.9712 -4.4648 -4.7733 C.3 1 UNK 0.2898 30 F3 3.7831 -3.6438 -3.9834 F 1 UNK -0.1966 31 F4 3.3872 -5.7943 -4.6449 F 1 UNK -0.1966 32 H 3.0471 2.0459 -3.4877 H 1 UNK 0.0619 33 H1 1.3103 3.1796 -2.2074 H 1 UNK 0.0633 34 H2 -0.4445 1.8737 -1.1853 H 1 UNK 0.0829 35 H3 2.9490 -0.3807 -3.6917 H 1 UNK 0.0636 36 H4 1.6398 -2.3695 -3.5451 H 1 UNK 0.0528 37 H5 0.1001 -2.3604 -2.7191 H 1 UNK 0.0528 38 H6 2.2577 -2.1740 -0.7997 H 1 UNK 0.1520 39 H7 1.1953 -6.9441 -0.1773 H 1 UNK 0.2380 40 H8 0.4716 -2.2745 3.2011 H 1 UNK 0.0640 41 H9 3.6362 -4.9757 3.6245 H 1 UNK 0.0640 42 H10 3.0488 -4.1641 -5.7973 H 1 UNK 0.1146 @BOND 1 1 6 ar 2 1 2 ar 3 2 3 ar 4 3 4 ar 5 4 5 ar 6 5 6 ar 7 5 7 1 8 7 8 1 9 8 9 1 10 9 15 ar 11 9 10 ar 12 10 11 ar 13 10 28 1 14 11 12 1 15 11 14 ar 16 12 13 3 17 14 15 ar 18 15 16 1 19 16 21 ar 20 16 17 ar 21 17 18 ar 22 17 27 1 23 18 19 ar 24 19 20 ar 25 19 23 1 26 20 21 ar 27 21 22 1 28 23 24 1 29 23 25 1 30 23 26 1 31 28 29 1 32 29 30 1 33 29 31 1 34 1 32 1 35 2 33 1 36 3 34 1 37 6 35 1 38 7 36 1 39 7 37 1 40 8 38 1 41 14 39 1 42 18 40 1 43 20 41 1 44 29 42 1