B1JCL3 -OEChem-04022106512D 51 53 0 0 0 0 0 0 0999 V2000 9.8622 -0.7313 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 -3.7554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -2.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 3.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.7688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.7312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 -1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1022 -2.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -2.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -1.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1022 -0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -3.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 3.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 -1.7889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 -1.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -3.2386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -3.2355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1093 -3.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -1.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6604 -0.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1093 -0.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -1.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -2.8102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 -3.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -4.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 -3.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1311 -1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1912 0.4587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 0.4587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1912 2.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 2.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7702 3.2318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 4.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1502 4.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 14 2 0 0 0 0 3 18 2 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 8 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 34 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 33 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M END $$$$