LBR46W -OEChem-05032300183D 50 54 0 0 0 0 0 0 0999 V2000 -4.5985 -2.0254 -0.3992 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0354 -2.3490 -0.2791 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8536 -2.5867 -1.5429 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3126 -0.3792 -0.2522 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2777 0.5546 -0.1956 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1586 -0.8742 -0.0612 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8684 1.8843 0.0248 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4297 3.7162 0.1425 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 -2.6289 -0.2429 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 2.3194 0.1182 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -0.0339 -0.0879 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8457 -2.8421 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5944 -4.3052 0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4508 -3.3302 0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 0.1290 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1978 1.4898 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5905 1.6942 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 2.4129 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3909 -0.1275 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -0.3603 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0627 -1.4747 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1853 -0.5058 1.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2463 -0.2932 -1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0575 -2.2328 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 0.9361 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0165 1.0174 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1345 2.7812 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6805 -1.2856 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 4.1425 0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 4.5571 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1284 -2.4758 2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8957 -4.7789 -0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -4.9522 1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7658 -3.3261 1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9584 -3.1641 -0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1727 -0.5050 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1398 2.6229 -0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 0.9340 0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5245 -1.5470 1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -0.3814 2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0703 0.1313 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5878 -1.3262 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1326 0.3484 -1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6797 -0.0166 -2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 -2.8840 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0452 1.8012 0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9677 -2.0962 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 3.0589 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7492 4.8547 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6329 5.6085 0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 12 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 17 2 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 18 1 0 0 0 0 7 27 2 0 0 0 0 8 18 2 0 0 0 0 8 30 1 0 0 0 0 9 21 1 0 0 0 0 9 24 2 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 48 1 0 0 0 0 11 26 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 37 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 28 2 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 27 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$