BXD76Y -OEChem-04022102493D 30 30 0 0 0 0 0 0 0999 V2000 3.5881 0.1285 0.1952 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4093 -2.0204 0.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 -0.4072 -0.8584 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 -2.2874 0.3524 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5112 -0.3938 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 -0.9487 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6803 1.1237 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -0.2991 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2475 -0.9967 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 1.6402 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 1.1077 -0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 -0.9527 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 1.4759 -0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 2.8300 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1547 -0.6508 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -0.8794 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8982 -0.7087 -2.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 -2.0398 -0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0134 1.3925 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 1.6269 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 0.4348 -1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3723 1.4142 1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7973 2.7258 0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6747 1.1881 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 1.8235 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6785 3.0929 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8559 2.8941 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3745 3.5857 -0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6808 -2.9518 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -2.6787 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 21 1 0 0 0 0 4 12 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 13 14 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$