D01IGI -OEChem-10101305022D 50 51 0 0 0 0 0 0 0999 V2000 2.0000 5.5624 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.5236 -6.5624 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.2125 2.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9098 -0.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1894 0.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5930 -3.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0303 -2.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0624 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5468 -5.5627 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 6.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8152 -5.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9213 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 2.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7699 -1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6161 -2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 4.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6799 -0.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8846 -2.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 5.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5376 -2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 5.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5697 -1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8614 -3.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7157 -4.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6925 -5.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0540 0.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5306 0.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1401 1.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 1.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2915 2.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6919 0.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 3.7295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0635 -2.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 6.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1148 -0.7413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 5.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1822 -0.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3175 -3.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 14 1 0 0 0 0 5 48 1 0 0 0 0 6 21 1 0 0 0 0 6 34 1 0 0 0 0 7 22 1 0 0 0 0 7 33 1 0 0 0 0 8 26 2 0 0 0 0 9 25 2 0 0 0 0 10 36 1 0 0 0 0 11 35 1 0 0 0 0 12 36 2 0 0 0 0 13 35 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 23 2 0 0 0 0 18 20 1 0 0 0 0 18 24 2 0 0 0 0 19 21 2 0 0 0 0 19 25 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 23 43 1 0 0 0 0 24 30 1 0 0 0 0 24 42 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 30 2 0 0 0 0 28 44 1 0 0 0 0 29 47 1 0 0 0 0 30 46 1 0 0 0 0 31 34 2 0 0 0 0 31 50 1 0 0 0 0 32 33 2 0 0 0 0 32 49 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 M CHG 4 1 1 2 1 10 -1 11 -1 M END $$$$