LDNW48 -OEChem-05022321433D 39 41 0 0 0 0 0 0 0999 V2000 0.0628 1.9227 0.3329 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1588 0.8469 -0.0012 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 1.9626 -1.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9347 -3.0993 0.0444 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4851 1.1144 -1.5808 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6468 3.1787 0.4894 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 1.4657 1.3287 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0407 -0.2240 0.4391 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1522 2.1310 0.6822 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -0.4209 0.2288 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 -0.9638 -0.3569 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8854 -0.7270 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9691 -1.6291 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1449 0.6502 0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5202 0.2442 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2806 -1.1272 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4543 1.1313 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4261 -1.2286 0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7093 -3.0062 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6658 -2.5999 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -3.4870 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 -0.1552 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -0.3285 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9379 0.8128 -1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6717 0.4744 0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0727 1.6156 -1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9396 1.4463 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -1.8209 -0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6789 2.1911 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5269 -3.7180 -0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2284 -4.5578 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 2.1870 -1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8982 -4.0683 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4515 0.3172 -2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3359 -1.0838 1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2726 0.9472 -2.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3468 0.3425 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2822 2.3713 -1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8234 2.0711 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 14 1 0 0 0 0 2 5 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 15 1 0 0 0 0 3 32 1 0 0 0 0 4 20 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 21 31 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 35 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 27 2 0 0 0 0 25 37 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 M END $$$$