L98VPI -OEChem-05022321352D 52 55 0 1 0 0 0 0 0999 V2000 12.7490 -0.4902 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.1292 -1.2481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3490 -0.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5066 -1.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 -1.3194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1865 1.4613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8491 2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8491 2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4726 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2256 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2500 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4481 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3491 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4631 1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2351 1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6955 -0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0026 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2321 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6978 0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0003 0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4661 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0107 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2803 -0.9275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9222 0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 -0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7034 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8766 1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4391 -0.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6123 0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3935 -0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4077 2.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7111 2.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9870 2.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 2.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5940 2.4715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1041 2.4715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8405 -0.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8576 -0.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4531 -0.2761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8743 1.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3221 2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 0.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 0.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8734 -1.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 -0.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 -0.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0122 1.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0537 -2.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3034 -1.4741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2040 0.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 31 1 0 0 0 0 3 20 1 0 0 0 0 3 23 1 0 0 0 0 4 14 2 0 0 0 0 24 5 1 6 0 0 0 5 49 1 0 0 0 0 6 26 1 0 0 0 0 6 52 1 0 0 0 0 7 19 1 0 0 0 0 7 25 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 15 19 2 0 0 0 0 15 36 1 0 0 0 0 16 22 2 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 21 2 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$