B9MUR7 -OEChem-04022107302D 51 53 0 1 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 3 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 6.2619 2.4361 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 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 5.9674 0.4746 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 6.2781 -0.4759 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 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 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 8.8564 -2.7894 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 12.4598 -2.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 1.8838 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 6.2619 1.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 2.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.0561 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 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 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 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 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 8.4424 -3.2509 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 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 25 1 0 0 0 0 1 30 1 0 0 0 0 2 16 2 0 0 0 0 3 23 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 16 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 45 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 15 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 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 1 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$