B3R4UN -OEChem-04022116093D 40 42 0 0 0 0 0 0 0999 V2000 -3.8163 -0.9470 -0.4321 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 1.0379 -0.7163 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 1.0723 0.1233 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 0.2957 2.5255 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -1.1593 -0.4898 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1409 0.3789 -0.3063 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2656 -2.0277 -0.3259 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3856 -2.4862 0.2856 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 0.6545 0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3285 0.5537 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1209 0.3966 1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9386 0.9342 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3536 0.5222 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4148 0.1954 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1029 1.1591 -0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9546 -0.0640 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -0.8288 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6034 -0.8552 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8748 1.4638 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 -0.5847 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4882 0.4111 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2452 1.7077 -0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1553 0.6836 -0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2818 -0.7175 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1257 1.7592 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6091 -1.9216 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 -1.6339 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7341 1.4383 -0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7493 0.5296 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5769 0.0964 2.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 1.4631 -1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 -1.8177 0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1887 2.2769 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6035 2.6944 -1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 0.8892 -0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3620 -0.6727 -0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7886 1.8958 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3709 2.5521 -0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7056 1.8758 0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1482 -2.8628 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 13 2 0 0 0 0 5 16 2 0 0 0 0 6 18 1 0 0 0 0 6 21 2 0 0 0 0 7 18 2 0 0 0 0 7 26 1 0 0 0 0 8 27 3 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 19 2 0 0 0 0 15 31 1 0 0 0 0 17 20 2 0 0 0 0 17 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 27 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$