B1PEN9 -OEChem-04012117382D 45 48 0 0 0 0 0 0 0999 V2000 5.4641 -2.5344 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2334 -0.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 1.5838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.5344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.3391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 0.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 1.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2119 -0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1653 2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8158 2.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4009 2.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3397 -0.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8185 0.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0840 0.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7547 2.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3580 3.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5760 2.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 15 1 0 0 0 0 2 25 1 0 0 0 0 3 17 1 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 13 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 19 23 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$