@MOLECULE 1-[(9bs)-5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl]-3-{5-[(2s)-2-pyrrolidinyl]-1h-pyrazol-3-yl}urea 49 53 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.3723 0.2957 0.2953 C.ar 1 UNL1111111111 -0.1382 2 C -3.8456 -1.1290 0.4484 C.3 1 UNL1111111111 0.0594 3 C -4.4536 1.1120 -0.0801 C.ar 1 UNL1111111111 -0.1142 4 C -2.1110 0.8551 0.4831 C.ar 1 UNL1111111111 0.2117 5 N -5.3242 -1.0471 0.2122 N.am 1 UNL1111111111 -0.4852 6 C -3.2812 -2.1136 -0.6004 C.3 1 UNL1111111111 -0.2994 7 C -5.6617 0.2555 -0.2538 C.2 1 UNL1111111111 0.5664 8 C -4.3145 2.4683 -0.2817 C.ar 1 UNL1111111111 -0.1168 9 C -1.9594 2.2434 0.2855 C.ar 1 UNL1111111111 -0.1629 10 N -1.0523 0.0204 0.9038 N.am 1 UNL1111111111 -0.5861 11 C -5.7545 -2.2216 -0.5590 C.3 1 UNL1111111111 -0.0734 12 C -4.5017 -2.7394 -1.3061 C.3 1 UNL1111111111 -0.2932 13 O -6.7495 0.5546 -0.6699 O.2 1 UNL1111111111 -0.4605 14 C -3.0428 3.0265 -0.0904 C.ar 1 UNL1111111111 -0.1265 15 C 0.2934 0.3254 0.6365 C.2 1 UNL1111111111 0.7237 16 N 1.1720 -0.6923 1.0367 N.am 1 UNL1111111111 -0.5466 17 O 0.6545 1.3461 0.0976 O.2 1 UNL1111111111 -0.5036 18 C 2.5535 -0.5085 0.9202 C.ar 1 UNL1111111111 0.2569 19 C 3.2993 0.4506 0.1771 C.ar 1 UNL1111111111 -0.3306 20 N 3.3986 -1.3847 1.5639 N.ar 1 UNL1111111111 -0.3499 21 C 4.6407 0.1066 0.3968 C.ar 1 UNL1111111111 0.0525 22 N 4.6516 -0.9899 1.2315 N.ar 1 UNL1111111111 -0.1430 23 C 5.8869 0.7526 -0.1135 C.3 1 UNL1111111111 0.0496 24 C 5.8658 0.8387 -1.6659 C.3 1 UNL1111111111 -0.2932 25 N 7.0588 -0.0791 0.2833 N.3 1 UNL1111111111 -0.5554 26 C 6.9860 -0.0922 -2.1578 C.3 1 UNL1111111111 -0.2968 27 C 7.4336 -0.8813 -0.9090 C.3 1 UNL1111111111 -0.1064 28 H -3.6908 -1.5036 1.4892 H 1 UNL1111111111 0.1563 29 H -2.6586 -2.8870 -0.1245 H 1 UNL1111111111 0.1430 30 H -2.6330 -1.5936 -1.3275 H 1 UNL1111111111 0.1578 31 H -5.1635 3.0822 -0.5792 H 1 UNL1111111111 0.1738 32 H -0.9803 2.7110 0.4273 H 1 UNL1111111111 0.1963 33 H -1.3092 -0.9020 1.2334 H 1 UNL1111111111 0.3151 34 H -6.1396 -2.9799 0.1574 H 1 UNL1111111111 0.1486 35 H -6.5877 -1.9660 -1.2459 H 1 UNL1111111111 0.1576 36 H -4.4570 -3.8392 -1.2916 H 1 UNL1111111111 0.1447 37 H -4.5320 -2.4442 -2.3690 H 1 UNL1111111111 0.1481 38 H -2.9029 4.0979 -0.2387 H 1 UNL1111111111 0.1595 39 H 0.8737 -1.4408 1.6546 H 1 UNL1111111111 0.3255 40 H 2.9059 1.2549 -0.4070 H 1 UNL1111111111 0.2045 41 H 5.4436 -1.4960 1.5824 H 1 UNL1111111111 0.3454 42 H 5.9679 1.7747 0.3389 H 1 UNL1111111111 0.1509 43 H 4.8844 0.5271 -2.0670 H 1 UNL1111111111 0.1630 44 H 6.0183 1.8743 -2.0064 H 1 UNL1111111111 0.1455 45 H 7.8312 0.5063 0.5930 H 1 UNL1111111111 0.2617 46 H 6.6345 -0.7662 -2.9549 H 1 UNL1111111111 0.1477 47 H 7.8224 0.4825 -2.5870 H 1 UNL1111111111 0.1387 48 H 6.8941 -1.8511 -0.8443 H 1 UNL1111111111 0.1465 49 H 8.5141 -1.1071 -0.9131 H 1 UNL1111111111 0.1317 @BOND 1 1 2 1 2 1 3 ar 3 1 4 ar 4 2 5 1 5 2 6 1 6 2 28 1 7 3 7 1 8 3 8 ar 9 4 9 ar 10 4 10 1 11 5 7 am 12 5 11 1 13 6 12 1 14 6 29 1 15 6 30 1 16 7 13 2 17 8 14 ar 18 8 31 1 19 9 14 ar 20 9 32 1 21 10 15 am 22 10 33 1 23 11 12 1 24 11 34 1 25 11 35 1 26 12 36 1 27 12 37 1 28 14 38 1 29 15 16 am 30 15 17 2 31 16 18 1 32 16 39 1 33 18 19 ar 34 18 20 ar 35 19 21 ar 36 19 40 1 37 20 22 ar 38 21 22 ar 39 21 23 1 40 22 41 1 41 23 24 1 42 23 25 1 43 23 42 1 44 24 26 1 45 24 43 1 46 24 44 1 47 25 27 1 48 25 45 1 49 26 27 1 50 26 46 1 51 26 47 1 52 27 48 1 53 27 49 1