B9XAK1 -OEChem-04022115593D 56 57 0 1 0 0 0 0 0999 V2000 5.2597 -0.1581 1.1820 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8314 -0.1497 -1.1278 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9133 -0.5977 0.2921 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0275 -1.2943 2.0587 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7909 1.0787 1.7315 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 4.6325 0.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5288 3.1308 -1.1441 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 0.2520 1.8615 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4734 -0.0429 0.7882 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -1.3749 0.3457 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4427 0.9024 0.2852 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9802 2.3376 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 -1.5203 0.7769 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7582 0.5887 0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5963 -0.4949 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8347 0.1628 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 -2.9303 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3924 -0.6806 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6967 3.3705 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1944 0.2578 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4799 -2.0297 -0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7051 -0.5015 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 0.2575 0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0838 -0.1529 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3693 -2.4405 -1.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1992 0.0289 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1712 -1.5021 -2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4438 0.7841 -1.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1176 -0.9387 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6071 0.5718 -1.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2808 -1.1512 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5255 -0.3959 -1.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 0.7513 -0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 2.4340 0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1205 2.5915 1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 -0.3638 1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 -1.3064 1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 0.7226 2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8188 0.0192 -0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -3.6683 1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1082 -3.0387 0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9454 -3.1772 -0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1153 -1.9073 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 1.3143 -0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8595 -2.7758 0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 0.0397 1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6337 1.3054 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7069 0.5778 -2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4362 -3.4907 -1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8630 -1.8219 -2.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 5.3077 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7348 1.5395 -1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9372 -1.5348 1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7975 1.1594 -2.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9958 -1.9049 -0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4312 -0.5615 -2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 15 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 6 19 1 0 0 0 0 6 51 1 0 0 0 0 7 19 2 0 0 0 0 8 22 2 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 12 19 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 21 25 2 0 0 0 0 21 45 1 0 0 0 0 23 26 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 2 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 M END $$$$