E0H6BT -OEChem-05082103102D 40 41 0 0 0 0 0 0 0999 V2000 4.5981 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.2475 0.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4806 -2.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.5347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2274 -1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7018 -0.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1984 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7018 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6951 -2.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1984 -1.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6951 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1628 0.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0138 -0.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 -3.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8184 -1.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0030 -3.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 23 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 26 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 24 2 0 0 0 0 22 33 1 0 0 0 0 23 29 1 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 29 2 0 0 0 0 27 30 1 0 0 0 0 27 36 1 0 0 0 0 28 31 1 0 0 0 0 28 37 1 0 0 0 0 29 38 1 0 0 0 0 30 31 2 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 10 -1 M END $$$$