B94ENV -OEChem-04012112333D 41 44 0 0 0 0 0 0 0999 V2000 -0.1444 4.1586 0.0428 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3947 2.0806 -0.0488 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2066 0.1342 -0.0649 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 2.2059 0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5534 -0.3167 -1.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9697 -0.6775 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 -1.5252 1.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9554 -1.5995 -1.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 -2.5930 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -2.6686 -1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -3.4831 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7265 0.2118 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8519 1.6061 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5713 -0.3314 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3026 1.5070 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 2.4339 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6996 0.4917 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 1.8746 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0218 -0.0955 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 -0.3929 1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 -0.9560 1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7888 -0.8651 -1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5111 -1.1999 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -2.0388 1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 -0.8743 2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 -1.0000 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -2.1210 -1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0112 -3.2102 2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0909 -2.1191 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0359 -2.2022 -1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 -3.3384 -2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 -4.1974 0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 -4.0713 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0877 -0.3687 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -1.4118 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1597 3.2211 0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4308 2.5169 0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1965 -0.1997 2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -1.2045 2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 -1.0352 -2.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4996 -1.6380 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 15 2 0 0 0 0 3 6 1 0 0 0 0 3 15 1 0 0 0 0 3 34 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 5 19 1 0 0 0 0 5 22 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 35 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$