D09PTR -OEChem-04152122232D 54 57 0 1 0 0 0 0 0999 V2000 9.2669 1.8157 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4511 0.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 0.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7200 0.2303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6537 2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.1729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8379 0.7013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6783 -0.7776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8047 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 1.7582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -2.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5690 0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7851 3.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3848 2.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -3.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 1.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8006 3.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 2.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1159 2.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 0.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8661 -0.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -0.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 1.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 1.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 0.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 -0.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5153 2.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6331 2.8489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4048 3.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8294 3.7807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7673 2.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9707 2.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -3.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -3.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 -3.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 3.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 2.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 1.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6422 2.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7882 2.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 29 1 0 0 0 0 2 13 2 0 0 0 0 3 18 2 0 0 0 0 4 24 2 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 6 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 6 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 1 0 0 0 11 17 2 0 0 0 0 12 16 1 0 0 0 0 12 19 2 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 1 0 0 0 15 37 1 0 0 0 0 16 22 2 0 0 0 0 17 20 1 0 0 0 0 17 24 1 0 0 0 0 19 25 1 0 0 0 0 19 39 1 0 0 0 0 20 27 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 26 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$