B6MW1Z -OEChem-04022101052D 56 59 0 1 0 0 0 0 0999 V2000 7.6336 -2.3949 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.6555 -2.1870 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0156 -0.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 -0.4450 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7049 0.5556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 0.0553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5397 -0.6393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0795 -0.1390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5018 1.6389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8286 -1.5283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7801 1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4161 1.4446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3683 -1.0280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7429 -1.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3366 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2031 -2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2129 2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1376 -2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0415 2.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 -2.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8384 3.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7527 3.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 -1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4685 -3.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2771 0.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9109 -0.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 1.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3564 1.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5389 1.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2475 1.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5599 -1.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 -2.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2687 -2.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 1.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3114 0.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9709 -2.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 -2.5515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8312 3.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6655 2.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5193 -2.9679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 -2.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6183 -0.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4526 -1.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4232 1.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 -2.1149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2672 -2.6482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0706 3.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3126 3.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3666 3.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7743 3.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0077 -2.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0536 -3.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -3.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 24 1 0 0 0 0 3 24 2 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 6 0 0 0 7 10 1 0 0 0 0 7 26 1 1 0 0 0 8 13 1 0 0 0 0 8 27 1 6 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 28 1 6 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 1 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 20 1 0 0 0 0 12 31 1 6 0 0 0 13 14 1 0 0 0 0 13 24 1 1 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 22 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 25 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$