D00FIT -OEChem-10101305022D 44 46 0 1 0 0 0 0 0999 V2000 6.2781 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.1727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.6127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3211 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.4065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6318 1.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 2.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 3.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 3.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 4.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 4.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 -0.7406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 0.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -0.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 0.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 2.1184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 1.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 -1.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 -1.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0968 -0.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6671 2.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 4.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 4.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0885 5.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 36 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 3 15 1 0 0 0 0 4 12 1 0 0 0 0 4 20 2 0 0 0 0 5 17 2 0 0 0 0 5 20 1 0 0 0 0 6 17 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 13 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 2 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 22 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$