B97CVI -OEChem-04042102483D 36 39 0 0 0 0 0 0 0999 V2000 3.5316 -2.8077 -1.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3664 -2.9093 1.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8786 1.2500 -0.1903 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 0.0215 -0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 0.0226 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3537 0.0559 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0183 0.1783 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9124 0.0195 -0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 0.0567 0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2137 1.3298 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3895 -1.0735 0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0139 -1.1590 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 -0.0139 -1.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -0.0150 -1.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2079 0.0909 1.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4092 0.2988 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3091 0.0188 -0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 2.5731 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0081 1.5548 0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5932 0.0893 1.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2217 2.6931 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1428 0.0533 0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 -2.3280 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.0853 1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5115 -2.1212 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 -0.0406 -2.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4657 -0.0430 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0498 -0.5739 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8005 0.1194 2.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7607 -0.0089 -1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 3.4802 -0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 1.6442 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2428 0.1164 2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6806 3.6772 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2214 0.0521 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0258 -3.6504 -0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 36 1 0 0 0 0 2 23 2 0 0 0 0 3 5 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 4 13 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 15 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 16 2 0 0 0 0 8 14 1 0 0 0 0 8 17 2 0 0 0 0 9 24 1 0 0 0 0 10 18 2 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 20 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$