BOCA42 -OEChem-04022114353D 47 51 0 0 0 0 0 0 0999 V2000 -4.0098 -1.9083 0.8130 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2129 0.6376 2.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3036 1.2942 1.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 1.2316 -1.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3592 0.4603 0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6914 1.1547 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 0.2018 2.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 1.7426 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5777 1.1926 2.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 0.0908 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 0.5874 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 1.0100 1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7359 -0.6188 0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8143 0.4084 -1.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5378 1.1704 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8619 -0.8045 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8983 -0.2977 -1.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7701 0.1227 -0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1388 2.4113 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1594 -1.1779 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6034 0.3160 -1.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9722 2.6048 -1.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2045 1.5570 -1.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -2.1549 0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9145 -1.4506 -1.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -3.4044 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3226 -2.7001 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9757 -3.6772 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4656 0.2896 2.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3409 -0.8232 2.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3996 2.8349 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 1.4896 -0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 2.2001 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 0.8935 3.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 1.6888 -2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7222 -1.0200 1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8443 0.8016 -2.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 -1.3507 0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7832 -0.4536 -1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9654 3.2359 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7964 -0.4890 -2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 3.5711 -1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8533 1.7077 -2.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 -0.7123 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7294 -4.1648 1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6453 -2.9132 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5152 -4.6502 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 12 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 25 2 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$