D0TS5I -OEChem-10101305022D 53 56 0 0 0 0 0 0 0999 V2000 4.6701 -4.1956 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.1118 0.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 0.3246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -0.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4662 1.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3797 0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2752 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8903 -1.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 2.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1118 2.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -1.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4781 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1118 3.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3797 2.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0057 2.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3797 3.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 -2.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 -3.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0057 4.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 -3.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9118 2.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9118 3.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2009 0.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -0.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9974 1.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3525 1.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7997 1.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 0.8287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3373 1.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7359 -0.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 2.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 2.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 3.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 1.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5314 -1.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0947 -2.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8428 2.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9985 1.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 4.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8428 3.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 -2.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 -3.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9985 4.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4475 2.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4475 3.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 13 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 24 1 0 0 0 0 17 43 1 0 0 0 0 18 25 2 0 0 0 0 18 44 1 0 0 0 0 19 22 1 0 0 0 0 19 26 2 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 21 28 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 27 2 0 0 0 0 24 49 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 29 1 0 0 0 0 26 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M END $$$$