@MOLECULE FDBD02310 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6793 1.2717 0.0390 C.3 1 UNK -0.0388 2 C1 -0.9996 -0.1954 -0.0884 C.ar 1 UNK -0.0363 3 C2 -0.9129 -0.8179 -1.3174 C.ar 1 UNK -0.0044 4 C3 -1.2065 -2.1642 -1.4357 C.ar 1 UNK -0.0550 5 C4 -1.5880 -2.8944 -0.3244 C.ar 1 UNK -0.0608 6 C5 -1.6776 -2.2823 0.9092 C.ar 1 UNK -0.0538 7 C6 -1.3782 -0.9271 1.0350 C.ar 1 UNK -0.0146 8 C7 -1.4727 -0.2634 2.3589 C.ar 1 UNK -0.0176 9 C8 -0.4155 0.5132 2.8287 C.ar 1 UNK -0.0540 10 C9 -0.5089 1.1286 4.0606 C.ar 1 UNK -0.0612 11 C10 -1.6493 0.9755 4.8283 C.ar 1 UNK -0.0617 12 C11 -2.7015 0.2053 4.3670 C.ar 1 UNK -0.0612 13 C12 -2.6211 -0.4099 3.1341 C.ar 1 UNK -0.0540 14 C13 -0.4980 -0.0290 -2.5325 C.3 1 UNK 0.1432 15 O -0.3361 -0.9141 -3.6427 O.2 1 UNK -0.3887 16 N -0.0882 -0.2567 -4.8720 N.2 1 UNK -0.0879 17 C14 0.1877 -0.9470 -5.9305 C.2 1 UNK 0.0970 18 C15 0.4230 -2.4316 -5.8217 C.3 1 UNK 0.0394 19 S 1.1047 -2.8174 -4.1855 S.3 1 UNK -0.1578 20 C16 1.3161 -4.6180 -4.2457 C.3 1 UNK -0.0177 21 C17 0.2719 -0.2808 -7.2451 C.ar 1 UNK 0.0030 22 C18 0.5638 -1.0246 -8.3904 C.ar 1 UNK -0.0512 23 C19 0.6410 -0.3977 -9.6164 C.ar 1 UNK -0.0400 24 C20 0.4298 0.9672 -9.7144 C.ar 1 UNK 0.0761 25 C21 0.1394 1.7124 -8.5814 C.ar 1 UNK 0.1422 26 C22 0.0544 1.0942 -7.3489 C.ar 1 UNK -0.0160 27 F -0.0656 3.0438 -8.6839 F 1 UNK -0.2039 28 Cl 0.5293 1.7487 -11.2613 Cl 1 UNK -0.0806 29 H -0.8008 1.5762 1.0576 H 1 UNK 0.0278 30 H1 -1.3413 1.8367 -0.5835 H 1 UNK 0.0278 31 H2 0.3316 1.4439 -0.2666 H 1 UNK 0.0278 32 H3 -1.1407 -2.6258 -2.3564 H 1 UNK 0.0621 33 H4 -1.8060 -3.8988 -0.4180 H 1 UNK 0.0618 34 H5 -1.9658 -2.8271 1.7370 H 1 UNK 0.0624 35 H6 0.4357 0.6280 2.2566 H 1 UNK 0.0624 36 H7 0.2735 1.7040 4.4096 H 1 UNK 0.0618 37 H8 -1.7153 1.4377 5.7487 H 1 UNK 0.0618 38 H9 -3.5482 0.0904 4.9457 H 1 UNK 0.0618 39 H10 -3.4101 -0.9774 2.7871 H 1 UNK 0.0624 40 H11 0.4283 0.4689 -2.3353 H 1 UNK 0.0775 41 H12 -1.2510 0.6960 -2.7612 H 1 UNK 0.0775 42 H13 1.1146 -2.7395 -6.5779 H 1 UNK 0.0441 43 H14 -0.5036 -2.9502 -5.9534 H 1 UNK 0.0441 44 H15 1.7196 -4.9610 -3.3160 H 1 UNK 0.0341 45 H16 1.9858 -4.8721 -5.0406 H 1 UNK 0.0341 46 H17 0.3676 -5.0830 -4.4161 H 1 UNK 0.0341 47 H18 0.7215 -2.0420 -8.3195 H 1 UNK 0.0624 48 H19 0.8567 -0.9473 -10.4628 H 1 UNK 0.0633 49 H20 -0.1693 1.6475 -6.5070 H 1 UNK 0.0653 @BOND 1 1 2 1 2 2 7 ar 3 2 3 ar 4 3 4 ar 5 3 14 1 6 4 5 ar 7 5 6 ar 8 6 7 ar 9 7 8 1 10 8 13 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 12 13 ar 16 14 15 1 17 15 16 1 18 16 17 2 19 17 18 1 20 17 21 1 21 18 19 1 22 19 20 1 23 21 26 ar 24 21 22 ar 25 22 23 ar 26 23 24 ar 27 24 25 ar 28 24 28 1 29 25 26 ar 30 25 27 1 31 1 29 1 32 1 30 1 33 1 31 1 34 4 32 1 35 5 33 1 36 6 34 1 37 9 35 1 38 10 36 1 39 11 37 1 40 12 38 1 41 13 39 1 42 14 40 1 43 14 41 1 44 18 42 1 45 18 43 1 46 20 44 1 47 20 45 1 48 20 46 1 49 22 47 1 50 23 48 1 51 26 49 1