B1PCX9 -OEChem-04022105322D 56 59 0 1 0 0 0 0 0999 V2000 8.5991 -0.7624 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5904 -2.3922 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1791 1.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 0.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3296 -3.3576 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.5558 -2.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 -2.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.7376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1791 -0.9751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7376 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4734 -0.2665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4734 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1455 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8512 -1.4268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8176 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5233 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0784 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4897 -1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0449 0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7505 -0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6834 -1.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2344 -0.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -0.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0174 -1.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2887 -1.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3616 -2.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6409 0.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9272 -2.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2066 0.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3497 -0.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 24 2 1 1 0 0 0 3 17 2 0 0 0 0 4 23 1 0 0 0 0 4 47 1 0 0 0 0 5 22 2 0 0 0 0 6 23 2 0 0 0 0 10 36 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 16 12 1 1 0 0 0 12 22 1 0 0 0 0 12 41 1 0 0 0 0 13 21 1 0 0 0 0 13 26 2 0 0 0 0 13 27 1 0 0 0 0 14 36 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 6 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 45 1 0 0 0 0 27 31 2 0 0 0 0 27 46 1 0 0 0 0 28 33 1 0 0 0 0 28 48 1 0 0 0 0 29 34 2 0 0 0 0 29 49 1 0 0 0 0 30 32 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 36 1 0 0 0 0 33 35 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 M CHG 2 7 -1 13 1 M END $$$$