D09ATQ -OEChem-10191521522D 46 48 0 1 0 0 0 0 0999 V2000 10.6895 -2.3490 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3359 -0.6534 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.3558 -3.0947 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.4352 -1.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9438 -3.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6486 0.2964 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.3861 -0.3408 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.2858 -0.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.5947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0443 -1.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0232 -1.6033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7328 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 3.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9051 -0.7352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 -0.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5172 -2.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2743 -2.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8720 -1.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6291 -1.8416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8294 -2.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -1.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 1.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 0.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1379 2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7394 3.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -1.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 1.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9713 3.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 3.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 2.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -0.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 15 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 15 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 24 2 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 26 1 0 0 0 0 23 40 1 0 0 0 0 24 27 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M CHG 3 3 -1 6 -1 7 -1 M END $$$$