B19PJI -OEChem-04012116402D 42 45 0 0 0 0 0 0 0999 V2000 8.1777 0.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 -1.9694 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6657 -0.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.4348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6603 -1.0559 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5321 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3686 1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8468 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3468 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8413 0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2480 -0.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4291 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2426 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4236 1.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8304 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 1.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 2.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 2.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 2.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -0.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -0.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.7198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 1.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5990 2.2036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1769 2.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4947 -0.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7880 1.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4470 0.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 12 2 0 0 0 0 3 6 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 2 3 -1 6 1 M END $$$$