LL3M2D -OEChem-05032301252D 49 52 0 0 0 0 0 0 0999 V2000 9.8349 2.7174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -3.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.8483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 2.1793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 1.0226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.5190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.7528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7920 3.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5363 3.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5857 4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 0.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -0.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1729 3.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0242 3.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8283 4.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6731 4.7222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9661 4.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8954 1.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6062 0.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -1.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 -0.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 1.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 -0.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3819 -3.5803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 29 1 0 0 0 0 2 49 1 0 0 0 0 3 25 2 0 0 0 0 4 29 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 35 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 6 36 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 39 1 0 0 0 0 8 16 1 0 0 0 0 8 25 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 20 2 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 29 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 24 1 0 0 0 0 19 40 1 0 0 0 0 20 26 1 0 0 0 0 20 41 1 0 0 0 0 21 27 1 0 0 0 0 21 43 1 0 0 0 0 22 28 2 0 0 0 0 22 44 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$