B90GPU -OEChem-04012114192D 54 56 0 1 0 0 0 0 0999 V2000 6.2021 9.2814 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7236 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 8.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 10.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 8.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2546 12.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6082 12.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5896 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8576 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2236 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2236 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 6.8454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5518 10.3651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 5.2359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.0407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.5407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.0407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 9.1033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5287 9.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9395 8.6059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5259 7.7959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0121 9.8677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2892 9.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0138 10.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9626 9.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 11.1751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 6.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2761 12.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 8.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 9.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 8.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9133 7.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4602 10.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6368 10.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 10.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8860 11.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3971 10.8040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7095 8.9911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4990 9.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5780 11.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1718 10.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 10.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 9.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 6.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4472 12.9212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 3.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1266 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22 1 1 6 0 0 0 1 23 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 19 4 1 6 0 0 0 4 46 1 0 0 0 0 20 5 1 6 0 0 0 5 47 1 0 0 0 0 6 29 1 0 0 0 0 6 49 1 0 0 0 0 7 29 2 0 0 0 0 8 53 1 0 0 0 0 9 54 1 0 0 0 0 21 12 1 1 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 45 1 0 0 0 0 14 28 2 0 0 0 0 14 30 1 0 0 0 0 15 27 2 0 0 0 0 15 32 1 0 0 0 0 16 31 1 0 0 0 0 16 32 2 0 0 0 0 17 31 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 1 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 1 0 0 0 26 44 1 0 0 0 0 27 30 1 0 0 0 0 28 48 1 0 0 0 0 30 31 2 0 0 0 0 32 50 1 0 0 0 0 M END $$$$