B1XY7R -OEChem-04022109293D 40 44 0 0 0 0 0 0 0999 V2000 5.9348 -1.5889 0.0941 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1597 -0.2804 0.4028 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 0.6585 -2.3889 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7639 -0.5778 -0.3013 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 0.5090 0.5581 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 0.1256 -0.2984 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 0.1883 -1.7685 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2419 -0.0212 -1.5379 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9285 1.6867 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3986 0.4993 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 1.6459 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3938 -0.6154 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -0.6737 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2048 2.8909 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.4285 -1.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7474 2.8257 1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 -1.7823 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7552 4.0561 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 4.0231 1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8697 -3.1092 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3316 0.0250 -0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 -3.9726 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1878 -3.2765 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3496 -0.2918 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5847 -0.5693 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7949 -0.8624 1.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1884 -1.0627 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7332 -0.8785 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7359 -1.5951 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2075 2.9484 -0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7427 2.8262 1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 4.9849 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 4.9276 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 -0.0392 0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 -3.4579 0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -5.0494 0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -3.6782 0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0441 -0.9264 2.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7282 -1.3105 2.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7390 -0.9235 0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 15 2 0 0 0 0 4 25 1 0 0 0 0 4 28 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 21 2 0 0 0 0 8 24 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 27 28 2 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 M END $$$$