D0T4JD -OEChem-10101305022D 57 59 0 1 0 0 0 0 0999 V2000 3.7320 1.5818 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 -2.8365 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4732 -3.5410 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.4516 -1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8854 -2.7319 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.9954 -3.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7864 -1.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -3.2546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 -4.1206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4347 -3.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 -2.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 -4.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4951 -3.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3141 -2.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 -2.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4896 -3.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 -2.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6173 -3.3811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 -4.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2308 -4.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -5.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2429 -4.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9496 -1.7349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8541 -4.3561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5608 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.1188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.7718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 28 1 0 0 0 0 4 17 2 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 11 16 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 32 1 0 0 0 0 13 47 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 23 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 27 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 29 1 0 0 0 0 24 43 1 0 0 0 0 25 30 2 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 53 1 0 0 0 0 34 36 2 0 0 0 0 34 54 1 0 0 0 0 35 37 2 0 0 0 0 35 55 1 0 0 0 0 36 37 1 0 0 0 0 36 56 1 0 0 0 0 37 57 1 0 0 0 0 M CHG 2 3 1 7 -1 M END $$$$