B5JCR1 -OEChem-04022105413D 32 32 0 1 0 0 0 0 0999 V2000 -0.1438 0.0405 1.7288 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 0.1147 0.1618 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 -2.5579 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4794 1.7738 -0.4696 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1562 -0.2428 -1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 0.9932 0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5968 0.2355 -1.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 1.4362 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4601 -1.2050 -0.2767 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3189 -0.2928 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9673 -1.0715 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 0.3438 -0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9931 0.4323 -0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6215 0.3021 -1.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 -1.3139 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 0.4033 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 1.8272 1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 0.4846 -1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 -0.5401 -0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 1.6968 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1313 2.3088 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -0.9890 -1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2265 -1.3323 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4957 -1.7873 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2108 0.6119 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 1.0780 0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -2.7877 1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -2.6382 -0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2696 0.1787 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4953 -0.2838 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2186 2.0234 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0126 2.4507 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 M END $$$$