L3R2QZ -OEChem-05022323433D 55 59 0 1 0 0 0 0 0999 V2000 2.4159 1.1846 -0.6721 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 -0.0270 -2.2162 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 0.5187 0.5564 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3824 2.6269 -0.5131 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8039 0.5594 -1.9233 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2676 4.4684 1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6146 -4.3629 0.9365 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3662 -2.0280 0.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8349 0.5463 -0.2091 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2575 0.9981 -1.1911 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3788 -1.1617 -1.3483 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7717 -0.9915 -0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 0.6257 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -0.7207 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 1.6269 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7028 -1.6682 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9389 1.3815 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 2.8271 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3053 -2.5134 -1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0794 -1.7283 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 0.3383 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 2.3363 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0113 3.7820 0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2839 -3.4188 -0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -2.6336 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3822 3.5366 0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6603 -3.4789 0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1704 -0.9387 0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4551 1.4456 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5543 -1.1084 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8392 1.2760 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3887 -0.0011 0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0083 -3.2971 0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6384 0.8876 0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1629 1.9900 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3975 -2.0974 -1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5613 -1.4812 0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 -1.4206 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3396 0.4751 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 3.0416 0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0263 -2.4773 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -1.0810 1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9129 2.1428 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6375 4.7123 1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7461 -4.0714 -1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3461 -2.6766 2.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0434 2.4475 0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0512 -2.0689 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 2.1383 0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7739 5.2349 1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9218 -4.8666 0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4665 -0.1319 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2195 -4.0482 1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6354 -3.3573 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5588 -3.5498 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 21 1 0 0 0 0 6 26 1 0 0 0 0 6 50 1 0 0 0 0 7 27 1 0 0 0 0 7 51 1 0 0 0 0 8 28 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 17 39 1 0 0 0 0 18 23 2 0 0 0 0 18 40 1 0 0 0 0 19 24 1 0 0 0 0 19 41 1 0 0 0 0 20 25 2 0 0 0 0 20 42 1 0 0 0 0 21 28 1 0 0 0 0 21 29 2 0 0 0 0 22 26 2 0 0 0 0 22 43 1 0 0 0 0 23 26 1 0 0 0 0 23 44 1 0 0 0 0 24 27 2 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 47 1 0 0 0 0 30 32 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END $$$$