B1XA3I -OEChem-04022107053D 45 47 0 1 0 0 0 0 0999 V2000 -5.6821 -1.8341 0.5865 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.3738 -0.3470 -0.8326 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.2233 0.1553 1.2778 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 -0.0461 -1.3263 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 2.0825 -1.3522 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2389 -1.6008 -0.1528 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1653 0.6996 1.3312 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 1.1884 0.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 1.7989 -1.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5108 -2.0612 1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2259 -2.6096 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7902 -3.3183 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7226 -3.8686 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7884 0.5508 0.8730 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8766 -0.3834 -0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1344 1.8897 0.4637 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1055 2.9020 1.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 1.6841 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 1.2746 -0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 0.8273 -0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4767 0.9309 -1.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9482 0.2878 0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1815 -0.0431 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 0.4960 -1.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2609 -0.1471 1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5845 -0.5088 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2403 -2.2809 1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7979 -1.3128 1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -2.2713 -1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 -2.7278 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6068 -4.0255 1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8255 -3.0534 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2251 -4.5564 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5584 -4.3983 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2244 0.1372 1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7337 2.3425 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1147 3.1934 1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 3.8158 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5852 2.4922 2.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1965 1.2959 2.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5273 -0.2053 1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 1.3453 -2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2541 0.1926 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4924 0.5850 -1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5571 -0.5662 2.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 18 2 0 0 0 0 8 19 1 0 0 0 0 9 19 2 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$