B8UJ6L -OEChem-04022107292D 48 50 0 0 0 0 0 0 0999 V2000 11.4813 -2.4576 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 -2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2751 -3.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6875 -1.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 0.3940 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.8385 -0.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.6313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.6822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -0.5565 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2619 2.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 -2.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 -2.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 -2.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 -2.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 2.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 2.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 3.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 3.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 0.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 1.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 -0.5633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 -1.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -0.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0210 -0.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 -3.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4424 -3.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3319 -3.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0665 -2.7916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5877 -2.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 23 1 0 0 0 0 1 29 1 0 0 0 0 2 15 2 0 0 0 0 3 24 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 19 1 0 0 0 0 9 24 1 0 0 0 0 9 42 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 26 2 0 0 0 0 22 28 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$