BIG1T8 -OEChem-04042104103D 43 45 0 1 0 0 0 0 0999 V2000 1.7507 0.4568 0.9124 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -0.2564 -1.8699 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2236 -2.9292 -0.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 -0.4923 0.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2669 -1.4154 0.0791 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5918 2.7353 -0.5727 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6249 -0.2936 0.5003 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 0.5249 0.8551 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0081 -0.1267 0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9696 -1.0356 -0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5409 -1.5578 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 -0.4612 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6462 -1.6466 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6061 1.7609 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9858 -0.5468 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5806 -0.7269 -0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5478 0.7257 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 0.8072 0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7416 -1.6828 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -1.5029 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 1.8955 -0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4467 2.0714 0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 3.1469 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 3.2347 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9115 -2.6852 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 0.7400 1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1253 -0.7456 1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 0.5863 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1525 -0.4484 -1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7103 -1.8388 -0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 -1.7808 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4464 -2.4530 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9517 -2.5689 0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 -1.7121 -1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1035 -1.7489 0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7699 1.8721 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4794 2.1672 0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8173 4.0488 -0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1751 4.2070 0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 -3.2889 1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9103 -2.3654 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0361 -3.3025 -0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8746 -3.6142 -0.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 16 2 0 0 0 0 3 19 1 0 0 0 0 3 43 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 35 1 0 0 0 0 6 14 3 0 0 0 0 7 18 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$