B4U1GW -OEChem-04022109483D 44 46 0 0 0 0 0 0 0999 V2000 3.2484 2.0595 -0.3408 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3289 -0.7396 0.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0723 -3.1442 -0.0661 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2996 -4.1777 0.2122 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6437 -0.7591 -0.3588 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 -0.7130 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9578 0.4944 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 -0.7198 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 0.4960 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -1.9186 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 1.7456 -0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3607 -1.9169 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -0.7096 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 -0.6624 1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9638 -0.7839 -1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0692 2.4051 1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 2.2831 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1945 -0.6690 1.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3556 -0.7908 -0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9709 -0.7333 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 3.6021 1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 3.4801 -1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -3.1687 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2236 4.1396 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4858 -0.7370 -0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5373 2.4448 1.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0613 -0.8068 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2124 -0.6132 2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4992 -0.8303 -2.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 1.9957 2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 1.7825 -2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -0.6239 2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8975 -0.8421 -1.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0037 4.1142 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 3.8986 -2.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 -4.0245 0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0807 -3.1584 -0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7816 5.0713 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1003 3.3793 1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1243 1.6525 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6008 2.5666 1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1250 -0.8024 -0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8667 -1.7427 -1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8814 0.0740 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 26 1 0 0 0 0 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 23 3 0 0 0 0 5 25 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 13 25 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 21 1 0 0 0 0 16 30 1 0 0 0 0 17 22 2 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 24 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$