@MOLECULE CDK2.xray.inh1.1E9H 34 37 0 0 0 SMALL GASTEIGER Energy = 0 @ATOM 1 C1 5.4790 42.2880 49.5910 C.ar 1 <1> 0.0424 2 C2 4.4740 42.6430 50.5070 C.ar 1 <1> 0.0447 3 C3 3.1850 42.0410 50.4880 C.ar 1 <1> -0.0491 4 C4 2.9390 41.0520 49.4890 C.ar 1 <1> -0.0610 5 C5 3.9620 40.6880 48.5490 C.ar 1 <1> -0.0600 6 C6 5.2510 41.3070 48.5890 C.ar 1 <1> -0.0398 7 C7 5.1390 43.6880 51.3530 C.2 1 <1> 0.2095 8 O1 4.6080 44.2600 52.2820 O.2 1 <1> -0.2852 9 C8 6.5140 43.8280 50.8300 C.2 1 <1> 0.0922 10 C9 7.5750 44.6090 51.1860 C.2 1 <1> 0.0708 11 C10 8.8950 44.5920 50.5140 C.2 1 <1> 0.2508 12 O2 9.1670 43.8860 49.5430 O.2 1 <1> -0.2698 13 N1 9.6940 45.4290 51.1040 N.am 1 <1> -0.2809 14 N2 6.5960 42.9910 49.8150 N.pl3 1 <1> -0.3103 15 C11 7.7760 45.6320 52.3030 C.ar 1 <1> 0.0121 16 C12 6.9910 46.1870 53.3550 C.ar 1 <1> -0.0247 17 C13 7.5910 47.1560 54.2230 C.ar 1 <1> 0.1175 18 C14 8.9410 47.5580 54.0400 C.ar 1 <1> -0.0326 19 C15 9.7160 47.0060 52.9840 C.ar 1 <1> -0.0380 20 C16 9.1110 46.0470 52.1340 C.ar 1 <1> 0.0417 21 S1 6.5850 47.8190 55.5250 S.o2 1 <1> 0.1096 22 O3 7.4830 48.7510 56.2540 O.3 1 <1> -0.2498 23 O4 6.1900 46.7450 56.4090 O.2 1 <1> -0.1421 24 O5 5.5630 48.6270 54.8910 O.2 1 <1> -0.1421 25 H1 2.4799 42.3004 51.1480 H 1 <1> 0.0625 26 H2 2.0444 40.6075 49.4430 H 1 <1> 0.0618 27 H3 3.7705 39.9921 47.8568 H 1 <1> 0.0618 28 H4 5.9657 41.0582 47.9353 H 1 <1> 0.0636 29 H5 10.6386 45.5920 50.8191 H 1 <1> 0.1552 30 H6 7.4217 42.8899 49.2600 H 1 <1> 0.1523 31 H7 6.0402 45.9056 53.4847 H 1 <1> 0.0644 32 H8 9.3478 48.2321 54.6566 H 1 <1> 0.0638 33 H9 10.6653 47.2876 52.8443 H 1 <1> 0.0637 34 H10 6.9841 49.1705 57.0123 H 1 <1> 0.2449 @BOND 1 1 2 ar 2 1 6 ar 3 1 14 1 4 2 3 ar 5 2 7 1 6 3 4 ar 7 4 5 ar 8 5 6 ar 9 7 8 2 10 7 9 1 11 9 10 2 12 9 14 1 13 10 11 1 14 10 15 1 15 11 12 2 16 11 13 am 17 13 20 1 18 15 16 ar 19 15 20 ar 20 16 17 ar 21 17 18 ar 22 17 21 1 23 18 19 ar 24 19 20 ar 25 22 21 1 26 23 21 2 27 24 21 2 28 3 25 1 29 4 26 1 30 5 27 1 31 6 28 1 32 13 29 1 33 14 30 1 34 16 31 1 35 18 32 1 36 19 33 1 37 22 34 1