DA0OZ2 -OEChem-06062108552D 58 61 0 1 0 0 0 0 0999 V2000 4.6660 1.5053 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 1.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.4947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5282 0.0461 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0641 0.0328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 0.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 0.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5320 -0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2602 0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2641 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1243 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1320 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9923 0.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9961 -0.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 0.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 -0.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 -0.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 -1.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 1.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 1.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 -2.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 -1.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 1.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0569 1.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2599 1.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3995 -0.4371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1965 -0.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -2.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3249 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5278 1.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -1.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7890 1.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9919 1.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0665 -0.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9120 -0.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5344 -1.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1520 -0.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7283 -1.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1219 1.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1344 -2.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5280 0.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5342 -1.2485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 23 2 0 0 0 0 3 11 2 0 0 0 0 3 14 1 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 4 24 1 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 15 18 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 M END $$$$