EXO0799 -OEChem-04222009513D 29 30 0 0 0 0 0 0 0999 V2000 5.3412 2.3402 0.3973 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 -0.4138 0.7218 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6069 -0.0521 -0.0301 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -2.0620 0.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5918 0.3534 1.1986 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6206 1.2823 -0.9587 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 -3.3271 -0.0308 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1051 -1.2579 -0.7843 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -1.0094 -0.3461 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5725 1.2884 -0.4238 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -0.0337 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 -0.7443 -0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8116 -0.6976 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -2.2298 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9789 0.0012 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 1.3804 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7282 1.9677 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9378 0.6923 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 2.5219 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 0.0988 -1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0603 -1.6297 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -0.5068 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6517 3.0392 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4669 0.8516 1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4209 -0.1224 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9799 1.6110 0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5766 2.6758 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 3.3249 -1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 2.5506 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 8 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 7 14 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 13 2 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$