D00OBS -OEChem-10101305022D 47 49 0 1 0 0 0 0 0999 V2000 2.0000 -3.4558 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 1.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1477 -1.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -1.2386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 0.6624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -3.2605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3688 2.2316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6580 3.3884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0152 1.6935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -0.4943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7905 -0.0819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8550 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0796 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0582 1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3473 2.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6408 -1.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9831 0.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 -0.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 -0.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7896 -0.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3828 0.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3087 -1.8279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3152 1.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0591 1.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4658 1.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -2.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0787 0.6614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6720 1.1938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -3.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2647 3.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2439 3.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6218 1.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8226 1.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 4 33 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 34 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 40 1 0 0 0 0 7 21 1 0 0 0 0 7 26 2 0 0 0 0 8 26 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 26 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 12 1 1 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 1 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 37 1 0 0 0 0 20 23 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$