BB9AT8 -OEChem-04012115433D 53 56 0 0 0 0 0 0 0999 V2000 -5.0742 2.0899 0.2760 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 0.6840 2.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4484 -3.2490 -0.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6584 0.7627 -2.2882 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 -0.1984 -0.3032 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7347 0.0619 0.6532 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6195 0.5471 -0.8199 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0359 -1.7329 -0.6344 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2443 -2.6289 -0.4015 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6823 -1.2785 1.0036 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -0.1850 -0.4298 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2244 0.7184 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0122 -1.0716 0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 -0.6554 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5266 1.4685 -1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2853 -0.2569 0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5438 -0.6059 0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 -1.6992 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -0.3013 1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0236 1.2909 1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5253 -2.4499 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 -1.0537 1.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0314 -3.7776 -1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7704 0.0080 0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4698 2.4640 0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2307 1.1826 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7546 0.8490 -0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0172 3.4245 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2525 1.0000 -2.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4655 4.5928 -0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 1.4454 -1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3114 0.1453 -2.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1851 -1.8418 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7478 -1.5835 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7949 2.0630 -2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 2.1710 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1674 0.3933 1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1153 -0.9384 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4672 1.0815 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6151 1.1977 2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 1.3921 1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -0.7616 2.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5738 -1.9778 1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -4.4200 -1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3283 -3.4205 -2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8451 -4.3616 -0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1172 1.5431 2.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0538 2.0027 -2.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 0.2730 -2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 5.5033 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9282 4.7222 -1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 4.4851 -0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9383 0.8625 -3.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 19 2 0 0 0 0 3 21 2 0 0 0 0 4 29 1 0 0 0 0 4 53 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 39 1 0 0 0 0 8 14 2 0 0 0 0 8 18 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 19 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 24 1 0 0 0 0 11 27 2 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 25 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 25 28 3 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$