@MOLECULE 1-azabicyclo[2.2.2]oct-2-yl(3,4-dihydro-2(1h)-isoquinolinyl)methanone 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9439 -2.3526 0.6920 O.2 1 UNL1111111111 -0.5383 2 N 1.3365 0.7940 -0.5310 N.3 1 UNL1111111111 -0.4072 3 N -0.4763 -1.7031 -0.9299 N.am 1 UNL1111111111 -0.4664 4 C 3.5313 0.4237 0.7824 C.3 1 UNL1111111111 -0.0727 5 C 1.8029 -0.6080 -0.7180 C.3 1 UNL1111111111 -0.0388 6 C 3.1407 -0.8596 0.0250 C.3 1 UNL1111111111 -0.3194 7 C 3.7117 1.5637 -0.2396 C.3 1 UNL1111111111 -0.3236 8 C 2.3871 0.7937 1.7474 C.3 1 UNL1111111111 -0.3149 9 C 2.3895 1.7174 -1.0308 C.3 1 UNL1111111111 -0.1055 10 C 1.1107 1.0597 0.9136 C.3 1 UNL1111111111 -0.1191 11 C 0.7235 -1.5792 -0.2196 C.2 1 UNL1111111111 0.5576 12 C -1.5158 -2.5218 -0.2748 C.3 1 UNL1111111111 -0.0722 13 C -1.0751 -0.5552 -1.6263 C.3 1 UNL1111111111 -0.0888 14 C -2.2229 -1.7242 0.8384 C.3 1 UNL1111111111 -0.3232 15 C -1.9896 0.2431 -0.7322 C.ar 1 UNL1111111111 -0.0467 16 C -2.5439 -0.3232 0.4202 C.ar 1 UNL1111111111 0.0081 17 C -2.2810 1.5642 -1.0725 C.ar 1 UNL1111111111 -0.1496 18 C -3.3890 0.4458 1.2246 C.ar 1 UNL1111111111 -0.1796 19 C -3.1247 2.3241 -0.2673 C.ar 1 UNL1111111111 -0.1576 20 C -3.6793 1.7632 0.8821 C.ar 1 UNL1111111111 -0.1449 21 H 4.4717 0.2614 1.3484 H 1 UNL1111111111 0.1323 22 H 1.9415 -0.7770 -1.8173 H 1 UNL1111111111 0.1566 23 H 3.0525 -1.7069 0.7351 H 1 UNL1111111111 0.1790 24 H 3.9288 -1.1481 -0.6881 H 1 UNL1111111111 0.1396 25 H 4.5510 1.3447 -0.9183 H 1 UNL1111111111 0.1365 26 H 3.9700 2.5029 0.2753 H 1 UNL1111111111 0.1386 27 H 2.6539 1.6772 2.3478 H 1 UNL1111111111 0.1391 28 H 2.2138 -0.0302 2.4626 H 1 UNL1111111111 0.1524 29 H 1.9964 2.7517 -0.9512 H 1 UNL1111111111 0.1397 30 H 2.5462 1.5205 -2.1098 H 1 UNL1111111111 0.1329 31 H 0.2671 0.4247 1.2582 H 1 UNL1111111111 0.1456 32 H 0.7697 2.1090 1.0231 H 1 UNL1111111111 0.1419 33 H -1.0492 -3.4439 0.1437 H 1 UNL1111111111 0.1677 34 H -2.2421 -2.8455 -1.0511 H 1 UNL1111111111 0.1407 35 H -1.6543 -0.9511 -2.4974 H 1 UNL1111111111 0.1544 36 H -0.2775 0.0973 -2.0557 H 1 UNL1111111111 0.1793 37 H -1.5624 -1.6936 1.7358 H 1 UNL1111111111 0.1734 38 H -3.1371 -2.2612 1.1578 H 1 UNL1111111111 0.1554 39 H -1.8369 2.0062 -1.9627 H 1 UNL1111111111 0.1529 40 H -3.8199 0.0136 2.1251 H 1 UNL1111111111 0.1514 41 H -3.3471 3.3546 -0.5325 H 1 UNL1111111111 0.1470 42 H -4.3373 2.3561 1.5132 H 1 UNL1111111111 0.1463 @BOND 1 1 11 2 2 2 5 1 3 2 9 1 4 2 10 1 5 3 11 am 6 3 12 1 7 3 13 1 8 4 6 1 9 4 7 1 10 4 8 1 11 4 21 1 12 5 6 1 13 5 11 1 14 5 22 1 15 6 23 1 16 6 24 1 17 7 9 1 18 7 25 1 19 7 26 1 20 8 10 1 21 8 27 1 22 8 28 1 23 9 29 1 24 9 30 1 25 10 31 1 26 10 32 1 27 12 14 1 28 12 33 1 29 12 34 1 30 13 15 1 31 13 35 1 32 13 36 1 33 14 16 1 34 14 37 1 35 14 38 1 36 15 16 ar 37 15 17 ar 38 16 18 ar 39 17 19 ar 40 17 39 1 41 18 20 ar 42 18 40 1 43 19 20 ar 44 19 41 1 45 20 42 1