@MOLECULE escitalopram 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 F -1.5630 -5.0071 0.2120 F 1 UNL1111111111 -0.1747 2 O 0.0153 0.6878 -1.6459 O.3 1 UNL1111111111 -0.4055 3 N -4.5907 1.9741 0.3555 N.3 1 UNL1111111111 -0.3846 4 N 6.7858 1.2355 0.5402 N.1 1 UNL1111111111 -0.2301 5 C 0.0658 0.3170 -0.2536 C.3 1 UNL1111111111 0.2547 6 C -0.8404 1.3190 0.4782 C.3 1 UNL1111111111 -0.3033 7 C 1.5174 0.4636 0.1445 C.ar 1 UNL1111111111 -0.0376 8 C 2.2576 0.8593 -0.9853 C.ar 1 UNL1111111111 -0.0554 9 C -2.2850 1.1937 -0.0101 C.3 1 UNL1111111111 -0.2728 10 C -0.3898 -1.1144 -0.1306 C.ar 1 UNL1111111111 -0.0821 11 C 1.3248 0.9876 -2.1447 C.3 1 UNL1111111111 -0.0440 12 C -3.1658 2.2713 0.6484 C.3 1 UNL1111111111 -0.1195 13 C 2.1282 0.2689 1.3671 C.ar 1 UNL1111111111 -0.1498 14 C 3.6187 1.0635 -0.9092 C.ar 1 UNL1111111111 -0.1225 15 C -0.6192 -1.6649 1.1330 C.ar 1 UNL1111111111 -0.1135 16 C -0.5752 -1.8890 -1.2773 C.ar 1 UNL1111111111 -0.0875 17 C 3.5096 0.4724 1.4596 C.ar 1 UNL1111111111 -0.1062 18 C 4.2415 0.8645 0.3363 C.ar 1 UNL1111111111 -0.0320 19 C -1.0201 -2.9911 1.2631 C.ar 1 UNL1111111111 -0.2187 20 C -0.9774 -3.2182 -1.1740 C.ar 1 UNL1111111111 -0.2245 21 C -1.1877 -3.7415 0.1001 C.ar 1 UNL1111111111 0.2042 22 C -4.9374 2.3194 -1.0396 C.3 1 UNL1111111111 -0.2823 23 C -5.4741 2.7003 1.2946 C.3 1 UNL1111111111 -0.2844 24 C 5.6441 1.0685 0.4488 C.1 1 UNL1111111111 0.1073 25 H -0.7813 1.1596 1.5702 H 1 UNL1111111111 0.1461 26 H -0.4657 2.3457 0.2916 H 1 UNL1111111111 0.1561 27 H -2.3208 1.2806 -1.1132 H 1 UNL1111111111 0.1550 28 H -2.6953 0.1893 0.2205 H 1 UNL1111111111 0.1648 29 H 1.2596 2.0106 -2.5573 H 1 UNL1111111111 0.1519 30 H 1.5227 0.2634 -2.9554 H 1 UNL1111111111 0.1484 31 H -3.0203 2.2385 1.7506 H 1 UNL1111111111 0.1341 32 H -2.8555 3.2819 0.3120 H 1 UNL1111111111 0.1124 33 H 1.5590 -0.0408 2.2420 H 1 UNL1111111111 0.1672 34 H 4.2009 1.3678 -1.7773 H 1 UNL1111111111 0.1709 35 H -0.4919 -1.0559 2.0274 H 1 UNL1111111111 0.1546 36 H -0.4098 -1.4500 -2.2643 H 1 UNL1111111111 0.1733 37 H 4.0159 0.3218 2.4143 H 1 UNL1111111111 0.1674 38 H -1.1986 -3.4249 2.2447 H 1 UNL1111111111 0.1730 39 H -1.1222 -3.8252 -2.0653 H 1 UNL1111111111 0.1743 40 H -4.3162 1.7181 -1.7246 H 1 UNL1111111111 0.1486 41 H -4.8072 3.3811 -1.2939 H 1 UNL1111111111 0.1163 42 H -5.9869 2.0388 -1.2279 H 1 UNL1111111111 0.1447 43 H -5.3793 3.7950 1.2591 H 1 UNL1111111111 0.1164 44 H -5.2623 2.3605 2.3217 H 1 UNL1111111111 0.1431 45 H -6.5222 2.4342 1.0787 H 1 UNL1111111111 0.1462 @BOND 1 1 21 1 2 2 5 1 3 2 11 1 4 3 12 1 5 3 22 1 6 3 23 1 7 4 24 3 8 5 6 1 9 5 7 1 10 5 10 1 11 6 9 1 12 6 25 1 13 6 26 1 14 7 8 ar 15 7 13 ar 16 8 11 1 17 8 14 ar 18 9 12 1 19 9 27 1 20 9 28 1 21 10 15 ar 22 10 16 ar 23 11 29 1 24 11 30 1 25 12 31 1 26 12 32 1 27 13 17 ar 28 13 33 1 29 14 18 ar 30 14 34 1 31 15 19 ar 32 15 35 1 33 16 20 ar 34 16 36 1 35 17 18 ar 36 17 37 1 37 18 24 1 38 19 21 ar 39 19 38 1 40 20 21 ar 41 20 39 1 42 22 40 1 43 22 41 1 44 22 42 1 45 23 43 1 46 23 44 1 47 23 45 1