B1AGR4 -OEChem-04022107023D 46 48 0 0 0 0 0 0 0999 V2000 6.6786 -2.1736 1.1596 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9638 -0.8491 0.0204 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -2.2404 -1.0137 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 0.3499 0.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5502 2.3534 -0.0646 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6613 -1.7596 0.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0146 -1.5528 0.1264 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 0.1448 0.0109 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1489 -0.7405 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7745 -0.2751 -0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6555 -0.3969 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9066 0.5339 -0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2536 -0.6268 -2.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1876 -3.0361 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7878 0.4119 1.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6649 -1.0495 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4133 0.8774 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2803 0.8588 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2826 1.8588 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 1.1425 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6752 1.0543 -1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 1.6496 1.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6241 1.5612 -1.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 1.4460 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6222 -0.3592 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8868 1.9294 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 0.9982 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -0.7307 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7035 -1.3797 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1768 -0.7527 2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4064 0.9056 -1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 -0.1902 -3.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2592 -1.7117 -2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2345 -0.2486 -2.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2492 -3.3559 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3332 -3.5233 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1049 -3.3064 -0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1822 0.6796 2.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2948 1.5073 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1567 0.9801 2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1887 0.8232 -2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1481 1.8802 2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 1.7228 -2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0983 2.9919 -0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9476 1.3473 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9945 -1.7753 0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 5 24 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 24 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 13 32 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 14 37 1 0 0 0 0 15 17 2 0 0 0 0 15 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$