LJPA13 -OEChem-05032301122D 35 38 0 1 0 0 0 0 0999 V2000 7.1538 -2.7946 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5975 -3.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -2.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3697 -0.2002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5047 3.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7102 0.9560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3291 2.7153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7102 -1.8984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8140 -2.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2576 -3.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0302 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 0.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 1.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0047 1.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3137 2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3197 0.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6803 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 1.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2992 0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 1.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3288 -1.8569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5389 -1.7864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -2.6172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -3.5134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5327 -3.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5742 -1.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4175 -0.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7618 -0.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5047 3.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 0.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 3.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 2.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 0.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 22 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 30 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 31 1 0 0 0 0 7 13 2 0 0 0 0 7 20 1 0 0 0 0 8 16 1 0 0 0 0 8 20 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 6 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$