@MOLECULE 4-chloro-6-(4-piperazin-1-yl-1h-pyrazol-5-yl)benzene-1,3-diol 35 37 0 0 0 SMALL GASTEIGER @ATOM 1 CL 3.8007 -0.7375 -1.6695 Cl 1 UNL1111 -0.0657 2 C 2.7161 -0.1978 -0.4713 C.ar 1 UNL1111 -0.2184 3 C 3.0141 -0.3990 0.8850 C.ar 1 UNL1111 0.3488 4 O 4.1283 -1.0067 1.3370 O.3 1 UNL1111 -0.4420 5 C 2.1332 0.0350 1.8770 C.ar 1 UNL1111 -0.3396 6 C 0.9585 0.6675 1.4704 C.ar 1 UNL1111 0.3538 7 O 0.1344 1.0739 2.4572 O.3 1 UNL1111 -0.4391 8 C 1.5449 0.4330 -0.8609 C.ar 1 UNL1111 -0.0131 9 C 0.6443 0.8720 0.1096 C.ar 1 UNL1111 -0.2312 10 C -0.6035 1.5046 -0.2449 C.ar 1 UNL1111 -0.0868 11 N -0.6856 2.8837 -0.4633 N.ar 1 UNL1111 -0.1877 12 N -1.9404 3.2685 -0.7471 N.ar 1 UNL1111 -0.2007 13 C -2.7137 2.1587 -0.7282 C.ar 1 UNL1111 -0.1434 14 C -1.9099 1.0031 -0.4178 C.ar 1 UNL1111 0.0711 15 N -2.3997 -0.3043 -0.4419 N.pl3 1 UNL1111 -0.3774 16 C -3.5757 -0.5175 0.4404 C.3 1 UNL1111 -0.1023 17 C -4.2169 -1.8766 0.0727 C.3 1 UNL1111 -0.1152 18 C -1.3913 -1.3693 -0.2406 C.3 1 UNL1111 -0.1074 19 C -2.0383 -2.7332 -0.5815 C.3 1 UNL1111 -0.1142 20 N -3.2163 -2.9459 0.2900 N.3 1 UNL1111 -0.5326 21 H 4.7395 -1.3033 0.6120 H 1 UNL1111 0.3406 22 H 2.3559 -0.1155 2.9318 H 1 UNL1111 0.2073 23 H -0.6786 1.5195 2.0859 H 1 UNL1111 0.3425 24 H 1.3134 0.5842 -1.9203 H 1 UNL1111 0.1801 25 H 0.0592 3.5506 -0.4696 H 1 UNL1111 0.3343 26 H -3.7642 2.1896 -0.9426 H 1 UNL1111 0.1892 27 H -3.2899 -0.5174 1.5154 H 1 UNL1111 0.1384 28 H -4.3105 0.2982 0.2825 H 1 UNL1111 0.1394 29 H -5.0845 -2.0696 0.7387 H 1 UNL1111 0.1381 30 H -4.5920 -1.8397 -0.9728 H 1 UNL1111 0.1265 31 H -0.5351 -1.1893 -0.9261 H 1 UNL1111 0.1464 32 H -1.0005 -1.3878 0.8005 H 1 UNL1111 0.1412 33 H -1.3068 -3.5448 -0.3787 H 1 UNL1111 0.1405 34 H -2.2903 -2.7632 -1.6636 H 1 UNL1111 0.1257 35 H -3.6261 -3.8635 0.1248 H 1 UNL1111 0.2527 @BOND 1 1 2 1 2 2 3 ar 3 2 8 ar 4 3 4 1 5 3 5 ar 6 4 21 1 7 5 6 ar 8 5 22 1 9 6 7 1 10 6 9 ar 11 7 23 1 12 8 9 ar 13 8 24 1 14 9 10 1 15 10 11 ar 16 10 14 ar 17 11 12 ar 18 11 25 1 19 12 13 ar 20 13 14 ar 21 13 26 1 22 14 15 1 23 15 16 1 24 15 18 1 25 16 17 1 26 16 27 1 27 16 28 1 28 17 20 1 29 17 29 1 30 17 30 1 31 18 19 1 32 18 31 1 33 18 32 1 34 19 20 1 35 19 33 1 36 19 34 1 37 20 35 1