D09KDN -OEChem-10101305022D 43 46 0 1 0 0 0 0 0999 V2000 7.0468 -1.5407 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.0407 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.4538 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8540 -0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.0407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 -1.7534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2653 -1.9483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0412 -2.5793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.0525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6241 -1.0699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8809 -2.0363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.0407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9211 -1.0449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9211 -0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5932 -1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 -2.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 -1.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 2.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1311 -1.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6821 -1.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 -0.9331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 -1.6234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4650 -2.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 0.9342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 0.9342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7902 -2.5598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5597 -2.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2890 -0.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 2.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 3.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 2.3231 0.0000 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 22 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 3 28 1 0 0 0 0 4 18 2 0 0 0 0 5 23 1 0 0 0 0 5 39 1 0 0 0 0 6 23 2 0 0 0 0 7 24 2 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 17 9 1 1 0 0 0 9 24 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 26 2 0 0 0 0 13 14 1 0 0 0 0 13 27 2 0 0 0 0 15 28 2 0 0 0 0 16 17 1 0 0 0 0 16 30 1 6 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 24 25 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 27 40 1 0 0 0 0 28 29 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 M END $$$$