RDKit 3D 49 52 0 0 0 0 0 0 0 0999 V2000 -7.1949 -1.1240 -1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8338 -1.2079 -1.9415 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -0.6951 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 -0.7706 -1.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5315 -0.2806 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7576 0.3040 0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 0.3636 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1537 -0.1253 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 0.7984 1.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 1.8583 2.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9498 2.5289 2.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7294 2.1710 3.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4575 0.8602 2.8497 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2877 0.3562 1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 -1.1761 1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 -1.5847 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 -0.7972 -0.1239 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9122 0.6583 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 1.1458 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1727 -1.4257 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -2.5785 -1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4435 -0.6679 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 -0.1364 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2123 0.5553 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8645 0.6963 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3236 0.1448 -1.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -0.5473 -1.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5045 1.6331 -0.8872 Br 0 0 0 0 0 0 0 0 0 0 0 0 -7.8073 -1.5603 -2.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5062 -0.0818 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3713 -1.7034 -0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 -1.2103 -2.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5464 -0.3526 -1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3508 0.7670 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1573 -0.0448 0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 3.1332 2.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 2.2048 4.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 -1.7126 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 -1.5871 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 -2.6493 0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2947 -1.4731 -1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 1.0005 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 1.0979 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0311 1.0500 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 2.2249 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 -0.2723 1.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6434 0.9691 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8392 0.2398 -2.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6938 -0.9962 -2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 25 28 1 0 8 3 1 0 14 9 1 0 19 14 1 0 27 22 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 5 33 1 0 7 34 1 0 8 35 1 0 12 36 1 0 12 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 23 46 1 0 24 47 1 0 26 48 1 0 27 49 1 0 M END