B3FBO1 -OEChem-04012116332D 53 49 0 0 0 0 0 0 0999 V2000 5.0428 4.2262 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 3.7194 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5383 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.3213 2.7013 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.8618 5.9488 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.7654 4.4072 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4496 5.1397 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9564 3.8195 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8090 4.1261 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3158 2.8058 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6045 5.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4469 4.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3172 0.0512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8172 1.5901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1262 0.6390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 3.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 2.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5496 2.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8172 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5081 0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3172 -0.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1832 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1832 -2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0492 -2.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0492 -3.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3172 -2.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9152 -4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9152 -5.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7813 -5.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0492 -5.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7154 2.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7987 1.9531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2975 2.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1161 2.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8018 3.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 0.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7066 -0.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1051 -1.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7201 -1.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6598 -3.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2613 -2.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4386 -3.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8372 -4.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0072 -2.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7802 -3.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -3.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4522 -4.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4713 -6.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3182 -6.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0913 -5.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 -5.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5123 -6.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3592 -6.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 11 2 0 0 0 0 1 16 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 2 16 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M CHG 8 3 1 4 1 5 1 6 1 7 -1 8 -1 9 -1 10 -1 M END $$$$