B4PT5I -OEChem-04012115303D 37 40 0 0 0 0 0 0 0999 V2000 -5.3768 -3.2805 0.9608 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1272 2.7075 0.3506 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0715 -1.3236 -0.5084 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 1.3828 0.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9271 2.5433 -0.7607 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 0.3659 0.1115 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -2.7304 -0.3998 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 0.7272 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1353 1.7252 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3202 1.3760 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7886 2.9122 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -0.7000 -0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6079 -0.7001 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 0.7769 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4172 -1.3947 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2759 1.5909 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 4.3047 0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -1.4298 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7561 -2.8057 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2155 -0.0411 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5289 -3.4005 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5853 -1.3120 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1804 0.8298 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -1.7122 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5151 0.4296 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 -0.8413 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1247 4.9458 0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 4.7072 -0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 4.3690 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7461 -0.9487 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 -0.3261 0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 -3.3976 -0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4563 -4.4707 -0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8321 -1.9909 0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9722 1.8274 -0.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2673 1.1068 -0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9287 -1.1394 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 12 2 0 0 0 0 4 14 2 0 0 0 0 5 16 2 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 6 31 1 0 0 0 0 7 15 1 0 0 0 0 7 21 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 M END $$$$