B9E2OB -OEChem-04022102033D 53 56 0 1 0 0 0 0 0999 V2000 -1.3148 -0.4957 -0.6642 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5369 -0.8531 0.7282 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 -1.5132 -1.6995 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 3.2483 1.8313 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7524 0.8922 -0.6412 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2238 1.7666 -1.9069 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3219 1.9781 -1.1828 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3822 2.5089 -1.9557 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7508 -0.0503 0.0110 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3820 -0.6684 -0.4405 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6715 -1.2160 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 -1.5961 -1.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1122 1.2287 -0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2517 0.2963 -0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1029 -2.0350 -1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 0.2435 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0308 -1.4198 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 2.0097 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2992 1.3049 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 2.2783 1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1029 -1.3799 -0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0942 -2.7385 1.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4752 0.7713 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4411 0.0683 0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6358 -1.2771 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9368 0.5853 1.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3265 -2.1057 0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6273 -0.2431 2.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8222 -1.5886 2.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 -1.3215 0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 -1.0874 -2.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -2.4530 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3323 0.9901 -1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 1.9131 -0.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3578 0.7053 -1.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 1.1212 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5694 -2.9147 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 -0.4660 2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -0.6175 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3627 2.9721 -0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2277 1.4789 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2396 1.4594 3.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 -2.2243 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1021 -1.4254 -0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0449 -0.4574 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9592 -3.6072 0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3253 -2.7785 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0677 -2.8468 1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2684 -1.6970 -1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7903 1.6305 1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4805 -3.1526 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0126 0.1590 3.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3602 -2.2335 2.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 14 1 0 0 0 0 1 23 1 0 0 0 0 4 20 2 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 23 2 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 30 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 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 18 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 2 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 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 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M END $$$$