@MOLECULE 3-amino-4-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)-3-cyclobutene-1,2-dione 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5493 2.1166 0.5383 O.3 1 UNL1111111111 -0.3532 2 O -2.3107 -3.0742 -1.5140 O.2 1 UNL1111111111 -0.3607 3 O 0.9149 -2.4291 -1.3009 O.2 1 UNL1111111111 -0.3964 4 N 2.6670 0.9466 0.1676 N.3 1 UNL1111111111 -0.4328 5 N -2.8563 -1.3775 1.1790 N.pl3 1 UNL1111111111 -0.4337 6 N 0.3386 -0.6832 1.5187 N.pl3 1 UNL1111111111 -0.5987 7 C 3.7604 1.3079 1.1044 C.3 1 UNL1111111111 -0.1112 8 C 3.1188 -0.0707 -0.8161 C.3 1 UNL1111111111 -0.1158 9 C 4.1942 0.0551 1.8880 C.3 1 UNL1111111111 -0.2756 10 C 3.5745 -1.3462 -0.0869 C.3 1 UNL1111111111 -0.2701 11 C 4.6812 -1.0303 0.9223 C.3 1 UNL1111111111 -0.2709 12 C 2.1471 2.1557 -0.5260 C.3 1 UNL1111111111 -0.1407 13 C 0.7186 1.8868 -0.9359 C.ar 1 UNL1111111111 0.0648 14 C -0.3076 2.0800 -0.0184 C.ar 1 UNL1111111111 -0.2428 15 C 0.4340 1.4431 -2.2320 C.ar 1 UNL1111111111 -0.2355 16 C -1.6254 1.8218 -0.4206 C.ar 1 UNL1111111111 0.2621 17 C -3.9354 0.7507 1.8849 C.3 1 UNL1111111111 -0.3376 18 C -0.8809 1.1912 -2.6087 C.ar 1 UNL1111111111 -0.0672 19 C -3.7869 1.4112 0.5107 C.3 1 UNL1111111111 -0.0360 20 C -1.9286 1.3836 -1.7088 C.ar 1 UNL1111111111 -0.3086 21 C -2.8294 -0.2790 2.1576 C.3 1 UNL1111111111 -0.0792 22 C -1.7550 -1.6649 0.4762 C.2 1 UNL1111111111 0.0771 23 C -0.3885 -1.4330 0.5920 C.2 1 UNL1111111111 -0.1268 24 C -1.5662 -2.4939 -0.8028 C.2 1 UNL1111111111 0.3254 25 C -0.0377 -2.1698 -0.6417 C.2 1 UNL1111111111 0.3696 26 H 4.6357 1.7533 0.5868 H 1 UNL1111111111 0.1148 27 H 3.3702 2.0702 1.8137 H 1 UNL1111111111 0.1337 28 H 2.2501 -0.3199 -1.4715 H 1 UNL1111111111 0.1604 29 H 3.9324 0.3039 -1.4705 H 1 UNL1111111111 0.1107 30 H 4.9853 0.3207 2.6103 H 1 UNL1111111111 0.1319 31 H 3.3413 -0.3233 2.4830 H 1 UNL1111111111 0.1440 32 H 2.7083 -1.8115 0.4231 H 1 UNL1111111111 0.1528 33 H 3.9148 -2.0923 -0.8285 H 1 UNL1111111111 0.1433 34 H 5.5950 -0.6952 0.3978 H 1 UNL1111111111 0.1359 35 H 4.9655 -1.9416 1.4785 H 1 UNL1111111111 0.1343 36 H 2.7640 2.4487 -1.4040 H 1 UNL1111111111 0.1301 37 H 2.1758 3.0251 0.1709 H 1 UNL1111111111 0.1479 38 H -0.1070 2.3963 1.0023 H 1 UNL1111111111 0.1773 39 H 1.2401 1.2894 -2.9446 H 1 UNL1111111111 0.1580 40 H -3.8883 1.5315 2.6733 H 1 UNL1111111111 0.1653 41 H -4.9375 0.2928 1.9722 H 1 UNL1111111111 0.1452 42 H -1.0983 0.8408 -3.6179 H 1 UNL1111111111 0.1520 43 H -4.5497 2.1948 0.3451 H 1 UNL1111111111 0.1341 44 H -3.8434 0.6716 -0.3041 H 1 UNL1111111111 0.1324 45 H -2.9455 -0.7139 3.1759 H 1 UNL1111111111 0.1407 46 H -1.8242 0.2261 2.1380 H 1 UNL1111111111 0.2064 47 H -2.9510 1.2080 -2.0216 H 1 UNL1111111111 0.1587 48 H -3.7583 -1.6823 0.8486 H 1 UNL1111111111 0.3076 49 H 0.7902 -1.2575 2.2187 H 1 UNL1111111111 0.2614 50 H 1.0367 -0.0708 1.0787 H 1 UNL1111111111 0.3154 @BOND 1 1 16 1 2 1 19 1 3 2 24 2 4 3 25 2 5 4 7 1 6 4 8 1 7 4 12 1 8 5 21 1 9 5 22 1 10 5 48 1 11 6 23 1 12 6 49 1 13 6 50 1 14 7 9 1 15 7 26 1 16 7 27 1 17 8 10 1 18 8 28 1 19 8 29 1 20 9 11 1 21 9 30 1 22 9 31 1 23 10 11 1 24 10 32 1 25 10 33 1 26 11 34 1 27 11 35 1 28 12 13 1 29 12 36 1 30 12 37 1 31 13 14 ar 32 13 15 ar 33 14 16 ar 34 14 38 1 35 15 18 ar 36 15 39 1 37 16 20 ar 38 17 19 1 39 17 21 1 40 17 40 1 41 17 41 1 42 18 20 ar 43 18 42 1 44 19 43 1 45 19 44 1 46 20 47 1 47 21 45 1 48 21 46 1 49 22 23 2 50 22 24 1 51 23 25 1 52 24 25 1