@MOLECULE 5,5'-methylenedisalicylic acid 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4580 -0.5142 1.4971 O.3 1 UNL111111111 -0.4223 2 O 4.5665 -0.4559 1.3595 O.3 1 UNL111111111 -0.4216 3 O -2.6614 2.5600 -0.3261 O.3 1 UNL111111111 -0.5680 4 O 2.4473 2.6166 -0.0924 O.3 1 UNL111111111 -0.5670 5 O -4.7158 1.8627 0.1640 O.2 1 UNL111111111 -0.4725 6 O 4.5674 2.0455 0.2615 O.2 1 UNL111111111 -0.4726 7 C 0.0116 -1.4334 -1.7903 C.3 1 UNL111111111 -0.2697 8 C -1.1988 -1.2145 -0.9314 C.ar 1 UNL111111111 -0.0837 9 C 1.2475 -1.1962 -0.9740 C.ar 1 UNL111111111 -0.0845 10 C -1.7948 0.0441 -0.8779 C.ar 1 UNL111111111 -0.0265 11 C 1.7454 0.0977 -0.8268 C.ar 1 UNL111111111 -0.0244 12 C -1.7140 -2.2637 -0.1620 C.ar 1 UNL111111111 -0.0492 13 C 1.8852 -2.2659 -0.3366 C.ar 1 UNL111111111 -0.0514 14 C -2.9137 0.2648 -0.0718 C.ar 1 UNL111111111 -0.2367 15 C 2.8854 0.3351 -0.0561 C.ar 1 UNL111111111 -0.2373 16 C -2.8147 -2.0655 0.6611 C.ar 1 UNL111111111 -0.3264 17 C 3.0099 -2.0538 0.4502 C.ar 1 UNL111111111 -0.3272 18 C -3.4046 -0.7962 0.7033 C.ar 1 UNL111111111 0.3328 19 C 3.4988 -0.7493 0.5893 C.ar 1 UNL111111111 0.3325 20 C -3.5670 1.5762 -0.0406 C.2 1 UNL111111111 0.6579 21 C 3.4362 1.6872 0.0713 C.2 1 UNL111111111 0.6576 22 H 0.0089 -2.4562 -2.2229 H 1 UNL111111111 0.1530 23 H -0.0065 -0.7640 -2.6788 H 1 UNL111111111 0.1615 24 H -1.3868 0.8733 -1.4652 H 1 UNL111111111 0.1771 25 H 1.2404 0.9405 -1.3107 H 1 UNL111111111 0.1786 26 H -1.2422 -3.2460 -0.2039 H 1 UNL111111111 0.1499 27 H 1.4930 -3.2765 -0.4531 H 1 UNL111111111 0.1495 28 H -3.2089 -2.8776 1.2627 H 1 UNL111111111 0.1657 29 H 3.4995 -2.8829 0.9497 H 1 UNL111111111 0.1656 30 H -4.7697 -1.3056 2.0077 H 1 UNL111111111 0.3265 31 H 4.9667 -1.2633 1.7746 H 1 UNL111111111 0.3262 32 H -3.0550 3.4654 -0.3052 H 1 UNL111111111 0.3532 33 H 2.7710 3.5456 -0.0038 H 1 UNL111111111 0.3535 @BOND 1 1 18 1 2 1 30 1 3 2 19 1 4 2 31 1 5 3 20 1 6 3 32 1 7 4 21 1 8 4 33 1 9 5 20 2 10 6 21 2 11 7 8 1 12 7 9 1 13 7 22 1 14 7 23 1 15 8 10 ar 16 8 12 ar 17 9 11 ar 18 9 13 ar 19 10 14 ar 20 10 24 1 21 11 15 ar 22 11 25 1 23 12 16 ar 24 12 26 1 25 13 17 ar 26 13 27 1 27 14 18 ar 28 14 20 1 29 15 19 ar 30 15 21 1 31 16 18 ar 32 16 28 1 33 17 19 ar 34 17 29 1