BCSU49 -OEChem-04022103473D 64 67 0 1 0 0 0 0 0999 V2000 1.4912 1.8407 0.6919 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -1.2911 -0.4436 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2684 0.6496 0.9095 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 4.2922 -0.6343 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.9923 -2.2065 -0.5004 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0197 0.0182 0.0975 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9849 0.1066 -0.7965 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1404 -2.1964 1.1583 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 -3.1732 0.7218 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6802 -4.3195 1.9928 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 0.0509 -0.5400 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5287 1.0513 -0.2426 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3796 0.4146 0.5048 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7360 2.3007 0.1199 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4131 3.1734 -1.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6436 -1.1697 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8393 0.7769 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 -1.7940 -1.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8957 -1.1025 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 1.1811 0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1268 0.5995 -1.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 -2.3927 -2.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4146 -2.8175 -1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -2.1416 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0481 1.4248 2.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5014 0.2179 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 -3.1859 1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2308 1.1271 -0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5155 0.5922 -0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9667 2.1503 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5363 1.0804 0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9873 2.6385 1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2721 2.1036 0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9997 0.2553 -1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1899 1.1763 -1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -0.0640 1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2557 2.8746 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8151 2.5607 -1.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3564 3.2774 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 1.7540 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7543 -0.9862 -2.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 2.1534 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 -0.2025 -2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7938 1.4064 -2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6604 -3.1840 -1.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 -2.8149 -3.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3643 -1.6421 -2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0466 -3.6501 -0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7989 -3.2172 -2.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2448 -2.3683 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3688 2.1177 2.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0586 1.8436 2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 0.4944 2.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4925 -0.7684 0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5317 0.5869 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 0.0704 -0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8661 -3.9923 0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7386 -0.2010 -1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9725 2.5808 0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 -5.0820 2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2248 -4.4270 2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5370 0.6648 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7821 3.4360 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0669 2.4842 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 11 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 15 1 0 0 0 0 5 24 2 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 17 2 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 8 16 1 0 0 0 0 8 27 2 0 0 0 0 9 24 1 0 0 0 0 9 27 1 0 0 0 0 9 57 1 0 0 0 0 10 27 1 0 0 0 0 10 60 1 0 0 0 0 10 61 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 19 2 0 0 0 0 17 40 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 41 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 42 1 0 0 0 0 21 28 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 31 33 2 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 M CHG 2 4 -1 6 1 M END $$$$