BD4CO1 -OEChem-04022102133D 30 32 0 0 0 0 0 0 0999 V2000 -4.5098 -1.3972 -0.7411 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8193 2.1900 0.0583 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 2.2801 -1.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8677 -2.2644 1.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4372 1.4097 0.8911 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5674 -1.3194 -0.9089 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 0.8762 0.0298 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 0.5085 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 -0.8874 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -0.2357 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3466 -1.3429 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1187 1.2964 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2551 -1.5303 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 0.6367 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4203 -0.7548 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 -0.1759 0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3696 0.7967 0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5619 1.4485 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -1.4439 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7578 0.5356 0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9754 -0.6264 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -2.3772 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0532 2.3799 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3063 -2.6157 -0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0023 1.6521 1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 2.3998 0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5564 1.1651 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9249 -1.0602 -0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 2.8226 -1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 -2.7242 1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 2 7 1 0 0 0 0 2 26 1 0 0 0 0 3 18 1 0 0 0 0 3 29 1 0 0 0 0 4 19 1 0 0 0 0 4 30 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 M END $$$$