B3KEG7 -OEChem-04042103133D 39 39 0 1 0 0 0 0 0999 V2000 -3.3654 3.5717 0.5504 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5141 -0.9796 -1.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 -0.7136 1.6358 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0616 -2.5108 0.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.9100 -0.2952 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3768 -1.5818 -0.3065 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9374 -1.8442 0.5107 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0474 -0.3756 0.2469 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1275 1.1501 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3543 1.7682 0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -1.0947 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3444 -1.0393 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7008 -1.8258 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 -0.6405 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3705 -0.5189 -1.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6773 0.3389 1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0703 3.6215 -1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 0.5822 -1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 1.4402 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2831 1.5617 -0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0451 -0.5957 1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1212 1.3968 -0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2161 1.5938 0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2889 1.3445 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3184 1.5676 1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -1.1802 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6297 -2.0920 1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1049 -2.7011 -0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1996 -1.7976 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6686 -2.0567 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -1.2744 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 0.2561 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 4.6650 -1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 3.1313 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 3.1448 -1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8064 0.6772 -2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5742 2.2026 1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9367 2.4191 -0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7569 -1.8694 0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 7 1 0 0 0 0 4 39 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 26 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 0 0 0 0 7 11 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$