LE8CK6 -OEChem-05022323182D 41 42 0 0 0 0 0 0 0999 V2000 7.4604 -0.0605 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 2.9221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.3393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1514 -1.0116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3160 -2.4205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7392 -1.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1514 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7337 -1.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 2.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6514 0.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3215 -2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6008 1.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6841 2.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1819 -2.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9101 -2.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2910 -1.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5628 -1.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 0.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 -0.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 -0.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3298 3.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 3.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 2.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6514 1.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7642 -2.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4924 -3.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 2.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.8392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 1.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6804 -2.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5682 -1.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 11 1 0 0 0 0 4 13 2 0 0 0 0 5 19 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 18 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 14 20 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M END $$$$