Marvin 11261212032D 27 31 0 0 0 0 999 V2000 -3.7792 -10.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9542 -10.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7015 -9.3697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4125 -8.8621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8292 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8292 -8.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0817 -9.3447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1213 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4051 -8.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9834 -8.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 -7.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9832 -8.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -7.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 -6.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9761 -6.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2617 -6.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 -6.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 -5.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 -5.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9743 -5.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 -8.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -9.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2701 -9.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1655 -6.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6868 -5.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 13 16 1 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 9 8 1 0 0 0 0 9 4 1 0 0 0 0 7 1 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 5 6 1 0 0 0 0 9 21 1 1 0 0 0 9 11 1 0 0 0 0 4 22 1 1 0 0 0 3 10 1 0 0 0 0 3 23 1 1 0 0 0 10 12 1 0 0 0 0 7 24 1 6 0 0 0 11 12 1 0 0 0 0 10 25 2 0 0 0 0 17 26 1 0 0 0 0 1 2 1 0 0 0 0 20 27 1 0 0 0 0 M END