@MOLECULE dihydroquinidine 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0124 -1.8062 2.4221 O.3 1 UNL1111 -0.5456 2 O 2.8350 2.5454 0.4917 O.3 1 UNL1111 -0.3114 3 N -1.7912 -0.6284 -0.9894 N.3 1 UNL1111 -0.3933 4 N 2.5313 -2.8098 -0.7699 N.ar 1 UNL1111 -0.3637 5 C -3.7044 0.8237 -0.0344 C.3 1 UNL1111 -0.0980 6 C -2.5412 1.7305 -0.5052 C.3 1 UNL1111 -0.1472 7 C -2.0737 -1.0350 0.4101 C.3 1 UNL1111 -0.0046 8 C -3.2071 -0.1733 1.0309 C.3 1 UNL1111 -0.3328 9 C -1.4228 0.8059 -1.0599 C.3 1 UNL1111 -0.1333 10 C -4.2039 0.0205 -1.2541 C.3 1 UNL1111 -0.3280 11 C -3.0276 -0.8358 -1.7900 C.3 1 UNL1111 -0.1082 12 C -2.0329 2.6397 0.6221 C.3 1 UNL1111 -0.2625 13 C -0.7919 -0.9744 1.2893 C.3 1 UNL1111 0.1164 14 C 0.3982 -1.5926 0.6068 C.ar 1 UNL1111 0.0313 15 C -1.0325 3.6707 0.0995 C.3 1 UNL1111 -0.4398 16 C 1.5388 -0.8097 0.2464 C.ar 1 UNL1111 -0.0093 17 C 0.3833 -2.9343 0.3208 C.ar 1 UNL1111 -0.1891 18 C 2.5725 -1.4668 -0.4739 C.ar 1 UNL1111 0.0911 19 C 1.7003 0.5581 0.5636 C.ar 1 UNL1111 -0.2831 20 C 1.4875 -3.5115 -0.3737 C.ar 1 UNL1111 0.0473 21 C 3.7145 -0.7357 -0.9164 C.ar 1 UNL1111 -0.0736 22 C 2.8209 1.2347 0.1226 C.ar 1 UNL1111 0.2493 23 C 3.8380 0.5983 -0.6319 C.ar 1 UNL1111 -0.2674 24 C 3.9306 3.3363 0.0563 C.3 1 UNL1111 -0.2024 25 H -4.5263 1.4431 0.3785 H 1 UNL1111 0.1298 26 H -2.9161 2.3771 -1.3318 H 1 UNL1111 0.1349 27 H -2.3964 -2.1098 0.3773 H 1 UNL1111 0.1537 28 H -2.8680 0.3675 1.9285 H 1 UNL1111 0.1388 29 H -4.0378 -0.8186 1.3620 H 1 UNL1111 0.1396 30 H -1.2030 1.0509 -2.1196 H 1 UNL1111 0.1413 31 H -0.4673 0.9520 -0.5186 H 1 UNL1111 0.1518 32 H -4.5784 0.6996 -2.0367 H 1 UNL1111 0.1387 33 H -5.0554 -0.6184 -0.9719 H 1 UNL1111 0.1384 34 H -3.2800 -1.9146 -1.7744 H 1 UNL1111 0.1368 35 H -2.7990 -0.5825 -2.8451 H 1 UNL1111 0.1407 36 H -1.5645 2.0387 1.4240 H 1 UNL1111 0.1357 37 H -2.8886 3.1577 1.0964 H 1 UNL1111 0.1334 38 H -0.5905 0.0574 1.6525 H 1 UNL1111 0.1315 39 H -0.1476 3.1912 -0.3382 H 1 UNL1111 0.1522 40 H -1.4762 4.3081 -0.6721 H 1 UNL1111 0.1404 41 H -0.6785 4.3233 0.9054 H 1 UNL1111 0.1430 42 H -1.7397 -1.4530 2.9704 H 1 UNL1111 0.3120 43 H -0.4565 -3.5633 0.6090 H 1 UNL1111 0.1739 44 H 0.9582 1.0827 1.1621 H 1 UNL1111 0.1754 45 H 1.4919 -4.5811 -0.6118 H 1 UNL1111 0.1662 46 H 4.4774 -1.2737 -1.4832 H 1 UNL1111 0.1704 47 H 4.7045 1.1572 -0.9703 H 1 UNL1111 0.1622 48 H 3.9700 3.3856 -1.0359 H 1 UNL1111 0.1337 49 H 4.8715 2.9708 0.4783 H 1 UNL1111 0.1338 50 H 3.6832 4.3215 0.4748 H 1 UNL1111 0.1499 @BOND 1 1 13 1 2 1 42 1 3 2 22 1 4 2 24 1 5 3 7 1 6 3 9 1 7 3 11 1 8 4 18 ar 9 4 20 ar 10 5 6 1 11 5 8 1 12 5 10 1 13 5 25 1 14 6 9 1 15 6 12 1 16 6 26 1 17 7 8 1 18 7 13 1 19 7 27 1 20 8 28 1 21 8 29 1 22 9 30 1 23 9 31 1 24 10 11 1 25 10 32 1 26 10 33 1 27 11 34 1 28 11 35 1 29 12 15 1 30 12 36 1 31 12 37 1 32 13 14 1 33 13 38 1 34 14 16 ar 35 14 17 ar 36 15 39 1 37 15 40 1 38 15 41 1 39 16 18 ar 40 16 19 ar 41 17 20 ar 42 17 43 1 43 18 21 ar 44 19 22 ar 45 19 44 1 46 20 45 1 47 21 23 ar 48 21 46 1 49 22 23 ar 50 23 47 1 51 24 48 1 52 24 49 1 53 24 50 1