@MOLECULE lacidipine 66 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1875 -2.4603 -0.3958 O.3 1 UNL11 -0.4244 2 O 0.3331 1.9135 -0.1349 O.3 1 UNL11 -0.4098 3 O 4.3079 0.0654 0.4342 O.3 1 UNL11 -0.4754 4 O -3.1478 -3.0337 -1.3324 O.2 1 UNL11 -0.5592 5 O -0.9398 3.7539 -0.3438 O.2 1 UNL11 -0.5603 6 O 3.1869 -1.5462 -0.6835 O.2 1 UNL11 -0.5499 7 N -4.2307 1.0891 -0.9716 N.pl3 1 UNL11 -0.4841 8 C -1.6295 0.1367 -0.2209 C.3 1 UNL11 -0.0277 9 C -2.7264 -0.7580 -0.7271 C.2 1 UNL11 -0.3203 10 C -1.9469 1.5881 -0.4501 C.2 1 UNL11 -0.3186 11 C -1.4344 -0.0936 1.2654 C.ar 1 UNL11 0.0308 12 C -3.9602 -0.2801 -1.0418 C.2 1 UNL11 0.3219 13 C -3.2018 2.0115 -0.7586 C.2 1 UNL11 0.3184 14 C -0.2093 -0.5224 1.7937 C.ar 1 UNL11 -0.0391 15 C -2.5066 0.1476 2.1282 C.ar 1 UNL11 -0.1684 16 C -2.4248 -2.1790 -0.8698 C.2 1 UNL11 0.6446 17 C -0.8542 2.5458 -0.3105 C.2 1 UNL11 0.6408 18 C -5.0972 -1.1327 -1.4825 C.3 1 UNL11 -0.4835 19 C -3.5887 3.4410 -0.8998 C.3 1 UNL11 -0.4823 20 C -0.0755 -0.7016 3.1755 C.ar 1 UNL11 -0.1299 21 C -2.3686 -0.0366 3.4998 C.ar 1 UNL11 -0.1350 22 C 0.9281 -0.8052 0.9212 C.2 1 UNL11 -0.0016 23 C -1.1496 -0.4623 4.0257 C.ar 1 UNL11 -0.1663 24 C 5.4578 0.0291 -0.4321 C.3 1 UNL11 0.3720 25 C 2.1852 -0.4201 1.1818 C.2 1 UNL11 -0.3199 26 C 6.3580 1.0877 0.2176 C.3 1 UNL11 -0.4845 27 C 5.0383 0.4351 -1.8421 C.3 1 UNL11 -0.5101 28 C 6.0919 -1.3570 -0.3834 C.3 1 UNL11 -0.5105 29 C -0.6791 -3.7869 -0.5637 C.3 1 UNL11 0.0029 30 C 1.5036 2.7308 -0.0654 C.3 1 UNL11 0.0060 31 C 3.2390 -0.7292 0.2058 C.2 1 UNL11 0.6427 32 C 0.3989 -3.7234 -1.6333 C.3 1 UNL11 -0.4788 33 C 1.9495 3.0919 -1.4733 C.3 1 UNL11 -0.4804 34 H -0.6836 -0.1110 -0.7866 H 1 UNL11 0.1846 35 H -5.1520 1.4244 -1.2143 H 1 UNL11 0.3164 36 H -3.4582 0.4833 1.7201 H 1 UNL11 0.1528 37 H -4.8505 -1.6567 -2.4279 H 1 UNL11 0.2011 38 H -5.2825 -1.9519 -0.7600 H 1 UNL11 0.1998 39 H -6.0430 -0.6023 -1.6310 H 1 UNL11 0.1521 40 H -4.6399 3.6138 -1.1510 H 1 UNL11 0.1521 41 H -3.3678 4.0003 0.0318 H 1 UNL11 0.2013 42 H -2.9707 3.9447 -1.6695 H 1 UNL11 0.1994 43 H 0.8756 -1.0390 3.5847 H 1 UNL11 0.1521 44 H -3.2112 0.1527 4.1605 H 1 UNL11 0.1447 45 H 0.6952 -1.3665 0.0001 H 1 UNL11 0.1890 46 H -1.0400 -0.6061 5.0973 H 1 UNL11 0.1446 47 H 2.4822 0.1412 2.0636 H 1 UNL11 0.1818 48 H 7.3066 1.1796 -0.3184 H 1 UNL11 0.1521 49 H 5.8708 2.0700 0.2251 H 1 UNL11 0.1592 50 H 6.5780 0.8305 1.2608 H 1 UNL11 0.1593 51 H 5.9077 0.5933 -2.4869 H 1 UNL11 0.1524 52 H 4.4503 1.3604 -1.8306 H 1 UNL11 0.1581 53 H 4.4142 -0.3400 -2.3117 H 1 UNL11 0.1790 54 H 7.0592 -1.3725 -0.8941 H 1 UNL11 0.1522 55 H 5.4499 -2.1083 -0.8677 H 1 UNL11 0.1802 56 H 6.2487 -1.6868 0.6498 H 1 UNL11 0.1573 57 H -0.2746 -4.0189 0.4391 H 1 UNL11 0.1348 58 H -1.4857 -4.4990 -0.8131 H 1 UNL11 0.1446 59 H 1.3106 3.6190 0.5608 H 1 UNL11 0.1380 60 H 2.2148 2.0508 0.4452 H 1 UNL11 0.1477 61 H 0.8553 -4.7048 -1.7982 H 1 UNL11 0.1495 62 H 1.2090 -3.0283 -1.3568 H 1 UNL11 0.1785 63 H -0.0073 -3.3760 -2.5907 H 1 UNL11 0.1565 64 H 2.9340 3.5701 -1.4697 H 1 UNL11 0.1468 65 H 1.2408 3.7871 -1.9441 H 1 UNL11 0.1629 66 H 2.0065 2.2001 -2.1111 H 1 UNL11 0.1589 @BOND 1 1 16 1 2 1 29 1 3 2 17 1 4 2 30 1 5 3 24 1 6 3 31 1 7 4 16 2 8 5 17 2 9 6 31 2 10 7 12 1 11 7 13 1 12 7 35 1 13 8 9 1 14 8 10 1 15 8 11 1 16 8 34 1 17 9 12 2 18 9 16 1 19 10 13 2 20 10 17 1 21 11 14 ar 22 11 15 ar 23 12 18 1 24 13 19 1 25 14 20 ar 26 14 22 1 27 15 21 ar 28 15 36 1 29 18 37 1 30 18 38 1 31 18 39 1 32 19 40 1 33 19 41 1 34 19 42 1 35 20 23 ar 36 20 43 1 37 21 23 ar 38 21 44 1 39 22 25 2 40 22 45 1 41 23 46 1 42 24 26 1 43 24 27 1 44 24 28 1 45 25 31 1 46 25 47 1 47 26 48 1 48 26 49 1 49 26 50 1 50 27 51 1 51 27 52 1 52 27 53 1 53 28 54 1 54 28 55 1 55 28 56 1 56 29 32 1 57 29 57 1 58 29 58 1 59 30 33 1 60 30 59 1 61 30 60 1 62 32 61 1 63 32 62 1 64 32 63 1 65 33 64 1 66 33 65 1 67 33 66 1