@MOLECULE 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3s)-3-phenyl-1-pyrrolidinyl]-1-propanone 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4603 1.8878 -0.4150 O.2 1 UNL1111111111 -0.4644 2 O 5.2329 -1.6163 -0.0196 O.3 1 UNL1111111111 -0.3012 3 O 6.6135 0.8743 0.2792 O.3 1 UNL1111111111 -0.2992 4 N -1.9462 -1.5005 -0.5333 N.3 1 UNL1111111111 -0.4234 5 C -4.3824 -1.5361 -0.0789 C.3 1 UNL1111111111 -0.1523 6 C -3.2811 -1.3890 -1.1723 C.3 1 UNL1111111111 -0.1170 7 C -3.6154 -1.8205 1.2312 C.3 1 UNL1111111111 -0.3091 8 C -2.1786 -2.1568 0.7784 C.3 1 UNL1111111111 -0.1092 9 C -1.2595 -0.1956 -0.3993 C.3 1 UNL1111111111 -0.0926 10 C -5.2443 -0.3146 0.0278 C.ar 1 UNL1111111111 -0.0035 11 C 0.2559 -0.4691 -0.3356 C.3 1 UNL1111111111 -0.3850 12 C -6.6295 -0.4381 -0.1011 C.ar 1 UNL1111111111 -0.1778 13 C -4.6845 0.9452 0.2559 C.ar 1 UNL1111111111 -0.1771 14 C 1.0249 0.8225 -0.3176 C.2 1 UNL1111111111 0.4828 15 C -7.4440 0.6883 -0.0031 C.ar 1 UNL1111111111 -0.1342 16 C -5.4999 2.0692 0.3520 C.ar 1 UNL1111111111 -0.1309 17 C 2.5011 0.7670 -0.1669 C.ar 1 UNL1111111111 -0.1763 18 C -6.8822 1.9428 0.2228 C.ar 1 UNL1111111111 -0.1606 19 C 3.2010 -0.4420 -0.1809 C.ar 1 UNL1111111111 -0.1426 20 C 3.1807 1.9804 -0.0156 C.ar 1 UNL1111111111 -0.0712 21 C 4.5818 -0.4128 -0.0284 C.ar 1 UNL1111111111 0.0792 22 C 5.2606 0.8052 0.1431 C.ar 1 UNL1111111111 0.1563 23 C 4.5638 2.0113 0.1424 C.ar 1 UNL1111111111 -0.2239 24 C 6.6311 -1.4869 -0.2740 C.3 1 UNL1111111111 -0.0988 25 C 7.2186 -0.3808 0.5955 C.3 1 UNL1111111111 -0.0986 26 H -5.0098 -2.4234 -0.3307 H 1 UNL1111111111 0.1449 27 H -3.3529 -2.2251 -1.9011 H 1 UNL1111111111 0.1448 28 H -3.3966 -0.4553 -1.7509 H 1 UNL1111111111 0.1412 29 H -4.0708 -2.6453 1.7974 H 1 UNL1111111111 0.1425 30 H -3.6262 -0.9455 1.9021 H 1 UNL1111111111 0.1493 31 H -1.4252 -1.8615 1.5290 H 1 UNL1111111111 0.1326 32 H -2.0642 -3.2502 0.6146 H 1 UNL1111111111 0.1408 33 H -1.5807 0.3882 0.4892 H 1 UNL1111111111 0.1277 34 H -1.4775 0.4403 -1.2864 H 1 UNL1111111111 0.1514 35 H 0.5006 -1.0844 0.5519 H 1 UNL1111111111 0.1686 36 H 0.5501 -1.0853 -1.2132 H 1 UNL1111111111 0.1854 37 H -7.0781 -1.4131 -0.2779 H 1 UNL1111111111 0.1498 38 H -3.6053 1.0494 0.3577 H 1 UNL1111111111 0.1563 39 H -8.5225 0.5857 -0.1042 H 1 UNL1111111111 0.1466 40 H -5.0559 3.0477 0.5281 H 1 UNL1111111111 0.1524 41 H -7.5193 2.8206 0.2977 H 1 UNL1111111111 0.1480 42 H 2.6979 -1.3991 -0.3132 H 1 UNL1111111111 0.1755 43 H 2.6115 2.9165 -0.0205 H 1 UNL1111111111 0.1814 44 H 5.0988 2.9503 0.2657 H 1 UNL1111111111 0.1769 45 H 6.7720 -1.2892 -1.3525 H 1 UNL1111111111 0.1483 46 H 7.0193 -2.4899 -0.0217 H 1 UNL1111111111 0.1581 47 H 7.0626 -0.5708 1.6733 H 1 UNL1111111111 0.1492 48 H 8.2887 -0.1918 0.3957 H 1 UNL1111111111 0.1589 @BOND 1 1 14 2 2 2 21 1 3 2 24 1 4 3 22 1 5 3 25 1 6 4 6 1 7 4 8 1 8 4 9 1 9 5 6 1 10 5 7 1 11 5 10 1 12 5 26 1 13 6 27 1 14 6 28 1 15 7 8 1 16 7 29 1 17 7 30 1 18 8 31 1 19 8 32 1 20 9 11 1 21 9 33 1 22 9 34 1 23 10 12 ar 24 10 13 ar 25 11 14 1 26 11 35 1 27 11 36 1 28 12 15 ar 29 12 37 1 30 13 16 ar 31 13 38 1 32 14 17 1 33 15 18 ar 34 15 39 1 35 16 18 ar 36 16 40 1 37 17 19 ar 38 17 20 ar 39 18 41 1 40 19 21 ar 41 19 42 1 42 20 23 ar 43 20 43 1 44 21 22 ar 45 22 23 ar 46 23 44 1 47 24 25 1 48 24 45 1 49 24 46 1 50 25 47 1 51 25 48 1