@MOLECULE ()-10,11-dihydro-a,8-dimethyl-11-oxodibenz[b,f]oxepin-2-acetic acid 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3445 -1.4418 0.8824 O.3 1 UNL111111111 -0.3183 2 O -0.2618 2.4502 -0.3439 O.2 1 UNL111111111 -0.4319 3 O 5.6981 -0.2329 0.7487 O.3 1 UNL111111111 -0.5707 4 O 4.3908 1.5591 0.5402 O.2 1 UNL111111111 -0.4965 5 C 0.3230 0.2353 0.1626 C.ar 1 UNL111111111 -0.2755 6 C 2.5265 -0.6561 -0.3461 C.ar 1 UNL111111111 -0.1003 7 C -1.6818 1.3984 1.2369 C.3 1 UNL111111111 -0.3797 8 C -2.7245 0.5431 0.6079 C.ar 1 UNL111111111 -0.0337 9 C 3.9429 -0.4488 -0.7985 C.3 1 UNL111111111 -0.1528 10 C -0.1108 -1.0621 0.4357 C.ar 1 UNL111111111 0.2918 11 C 1.6531 0.4218 -0.2341 C.ar 1 UNL111111111 -0.0245 12 C -0.5086 1.4490 0.2816 C.2 1 UNL111111111 0.4969 13 C -2.4700 -0.8113 0.3908 C.ar 1 UNL111111111 0.1524 14 C 2.0773 -1.9470 -0.0408 C.ar 1 UNL111111111 -0.0672 15 C 0.7641 -2.1577 0.3467 C.ar 1 UNL111111111 -0.2539 16 C -3.9531 1.0587 0.1985 C.ar 1 UNL111111111 -0.1683 17 C -4.9011 0.2306 -0.4077 C.ar 1 UNL111111111 0.0364 18 C 4.0054 0.2297 -2.1694 C.3 1 UNL111111111 -0.4354 19 C -3.3982 -1.6566 -0.2151 C.ar 1 UNL111111111 -0.1734 20 C -4.6204 -1.1243 -0.6124 C.ar 1 UNL111111111 -0.1633 21 C 4.6447 0.4340 0.2066 C.2 1 UNL111111111 0.6356 22 C -6.2048 0.7971 -0.8560 C.3 1 UNL111111111 -0.4528 23 H -2.0499 2.4261 1.4454 H 1 UNL111111111 0.1845 24 H -1.3682 0.9884 2.2225 H 1 UNL111111111 0.1867 25 H 4.4796 -1.4355 -0.8599 H 1 UNL111111111 0.1787 26 H 2.0053 1.4412 -0.4480 H 1 UNL111111111 0.1917 27 H 2.7607 -2.7947 -0.1129 H 1 UNL111111111 0.1555 28 H 0.3957 -3.1549 0.5803 H 1 UNL111111111 0.1776 29 H -4.1724 2.1159 0.3486 H 1 UNL111111111 0.1647 30 H 3.4108 -0.3247 -2.9071 H 1 UNL111111111 0.1610 31 H 3.6077 1.2547 -2.1379 H 1 UNL111111111 0.1689 32 H 5.0332 0.2867 -2.5467 H 1 UNL111111111 0.1521 33 H -3.1627 -2.7080 -0.3650 H 1 UNL111111111 0.1712 34 H -5.3591 -1.7667 -1.0883 H 1 UNL111111111 0.1578 35 H -7.0184 0.0601 -0.8147 H 1 UNL111111111 0.1565 36 H -6.5215 1.6551 -0.2466 H 1 UNL111111111 0.1580 37 H -6.1393 1.1485 -1.8982 H 1 UNL111111111 0.1653 38 H 6.1981 0.2874 1.4232 H 1 UNL111111111 0.3550 @BOND 1 1 10 1 2 1 13 1 3 2 12 2 4 3 21 1 5 3 38 1 6 4 21 2 7 5 10 ar 8 5 11 ar 9 5 12 1 10 6 9 1 11 6 11 ar 12 6 14 ar 13 7 8 1 14 7 12 1 15 7 23 1 16 7 24 1 17 8 13 ar 18 8 16 ar 19 9 18 1 20 9 21 1 21 9 25 1 22 10 15 ar 23 11 26 1 24 13 19 ar 25 14 15 ar 26 14 27 1 27 15 28 1 28 16 17 ar 29 16 29 1 30 17 20 ar 31 17 22 1 32 18 30 1 33 18 31 1 34 18 32 1 35 19 20 ar 36 19 33 1 37 20 34 1 38 22 35 1 39 22 36 1 40 22 37 1