@MOLECULE (3-methylbutoxy)acetic acid 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5597 -0.2197 0.0050 O.3 1 UNL111111111 -0.3605 2 O 3.9211 0.8058 -0.0305 O.3 1 UNL111111111 -0.5884 3 O 3.0571 -1.2487 0.0372 O.2 1 UNL111111111 -0.4524 4 C -3.1612 -0.4300 0.0171 C.3 1 UNL111111111 -0.0572 5 C -1.6750 -0.8228 0.0347 C.3 1 UNL111111111 -0.3078 6 C -0.7357 0.3836 -0.0105 C.3 1 UNL111111111 -0.0396 7 C -3.5345 0.4160 1.2397 C.3 1 UNL111111111 -0.4568 8 C -3.5327 0.3066 -1.2748 C.3 1 UNL111111111 -0.4567 9 C 1.5979 0.7412 -0.0139 C.3 1 UNL111111111 -0.1237 10 C 2.8708 -0.0673 0.0023 C.2 1 UNL111111111 0.6250 11 H -3.7548 -1.3803 0.0580 H 1 UNL111111111 0.1332 12 H -1.4500 -1.4937 -0.8193 H 1 UNL111111111 0.1564 13 H -1.4536 -1.4248 0.9398 H 1 UNL111111111 0.1560 14 H -0.8561 0.9732 -0.9349 H 1 UNL111111111 0.1182 15 H -0.8511 1.0365 0.8707 H 1 UNL111111111 0.1179 16 H -4.6177 0.5721 1.2941 H 1 UNL111111111 0.1446 17 H -3.0668 1.4049 1.2103 H 1 UNL111111111 0.1414 18 H -3.2242 -0.0703 2.1711 H 1 UNL111111111 0.1463 19 H -3.0636 1.2937 -1.3316 H 1 UNL111111111 0.1414 20 H -4.6158 0.4581 -1.3441 H 1 UNL111111111 0.1445 21 H -3.2218 -0.2592 -2.1601 H 1 UNL111111111 0.1465 22 H 1.5407 1.3629 -0.9302 H 1 UNL111111111 0.1564 23 H 1.5405 1.3978 0.8778 H 1 UNL111111111 0.1563 24 H 4.8044 0.3663 -0.0223 H 1 UNL111111111 0.3588 @BOND 1 1 6 1 2 1 9 1 3 2 10 1 4 2 24 1 5 3 10 2 6 4 5 1 7 4 7 1 8 4 8 1 9 4 11 1 10 5 6 1 11 5 12 1 12 5 13 1 13 6 14 1 14 6 15 1 15 7 16 1 16 7 17 1 17 7 18 1 18 8 19 1 19 8 20 1 20 8 21 1 21 9 10 1 22 9 22 1 23 9 23 1