B1XDO9 -OEChem-04042106133D 28 29 0 0 0 0 0 0 0999 V2000 5.7320 0.3044 -0.4144 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9682 -2.3561 0.7199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0679 -0.5140 0.4519 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 -2.1440 -1.5051 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 0.3312 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4376 -0.1930 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -0.3204 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0303 1.7072 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5304 0.6587 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 -1.0137 1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 0.5668 -0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 2.5588 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 2.0346 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -1.6256 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6062 -0.8207 0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 0.7598 -0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0464 0.0659 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 -1.4305 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0756 2.1435 0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5099 0.2628 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -1.7066 1.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0563 1.1034 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 3.6297 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2241 2.6977 -0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3165 -1.3679 1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4488 1.4501 -1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1897 -1.5598 -2.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5858 -3.1330 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 14 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 18 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 16 2 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$