BS6DA3 -OEChem-04022101132D 83 89 0 1 0 0 0 0 0999 V2000 11.1959 1.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9078 -2.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5580 3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1675 -1.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7327 -0.6420 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9230 1.8415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3090 -1.3456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 0.8905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4230 0.3027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0347 0.3041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7267 -0.6411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9230 1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6140 0.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9863 0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1463 -1.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3145 -1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5986 0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 2.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8968 -2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7158 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1516 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2981 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8914 -2.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7103 -0.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8957 1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2175 2.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2926 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5652 -2.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7433 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8804 -1.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5705 -2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7486 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 -1.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4737 -2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8749 -1.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0614 -3.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4627 -2.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0560 -3.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5811 -1.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5864 -1.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 -2.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -3.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9203 1.3892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -0.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4726 -0.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4455 -1.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5295 1.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8582 2.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0716 -0.0027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6059 0.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9764 -2.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 -1.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4138 0.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3396 -2.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0677 -2.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7590 0.1864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1142 -0.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6625 -1.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8481 -2.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4929 -2.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2676 -0.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5394 0.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2897 1.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7859 1.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8045 2.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8499 -0.7602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1217 -0.4360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8184 -2.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1068 0.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2069 -2.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4954 0.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8571 -2.8194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1271 -1.1701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8093 -4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0793 -2.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4204 -3.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3332 -1.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6061 -2.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -2.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6562 -4.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 -3.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 66 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 33 1 0 0 0 0 4 39 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 45 1 6 0 0 0 9 13 1 0 0 0 0 9 46 1 6 0 0 0 10 11 1 0 0 0 0 10 14 1 6 0 0 0 10 47 1 0 0 0 0 11 16 1 1 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 17 2 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 21 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 17 25 1 0 0 0 0 17 55 1 0 0 0 0 18 26 1 0 0 0 0 19 23 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 24 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 28 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 2 0 0 0 0 25 65 1 0 0 0 0 26 67 1 0 0 0 0 27 30 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 31 1 0 0 0 0 28 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