@MOLECULE 2-[3-(1,3-benzodioxol-5-yl)-2-propen-1-yl]-1-piperidinol 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.6921 -0.8088 1.1854 O.3 1 UNL1 -0.3822 2 O 4.5214 -0.9016 -1.4058 O.3 1 UNL1 -0.3433 3 O 5.5290 0.7982 -0.1182 O.3 1 UNL1 -0.3422 4 N -4.4000 -0.9619 -0.1991 N.4 1 UNL1 -0.2342 5 C -3.0323 -0.4133 -0.4050 C.3 1 UNL1 0.0343 6 C -2.9226 1.0911 -0.0909 C.3 1 UNL1 -0.3104 7 C -3.9386 1.8767 -0.9252 C.3 1 UNL1 -0.2653 8 C -5.3507 1.3505 -0.6475 C.3 1 UNL1 -0.2981 9 C -5.4218 -0.1620 -0.9149 C.3 1 UNL1 -0.1356 10 C -2.0424 -1.2213 0.4618 C.3 1 UNL1 -0.3109 11 C -0.6346 -0.8407 0.1504 C.2 1 UNL1 -0.1143 12 C 0.2753 -0.6003 1.1022 C.2 1 UNL1 -0.1933 13 C 1.6554 -0.2178 0.8071 C.ar 1 UNL1 0.0154 14 C 2.3523 -0.8636 -0.2388 C.ar 1 UNL1 -0.2067 15 C 3.6396 -0.4421 -0.4588 C.ar 1 UNL1 0.1333 16 C 2.2584 0.7840 1.5701 C.ar 1 UNL1 -0.1713 17 C 4.2434 0.5774 0.3129 C.ar 1 UNL1 0.1160 18 C 3.5774 1.2096 1.3344 C.ar 1 UNL1 -0.1792 19 C 5.7277 -0.1302 -1.2073 C.3 1 UNL1 0.1584 20 H -2.8057 -0.5892 -1.4910 H 1 UNL1 0.1431 21 H -1.8952 1.4475 -0.2859 H 1 UNL1 0.1477 22 H -3.1058 1.2587 0.9883 H 1 UNL1 0.1566 23 H -3.7006 1.7933 -2.0018 H 1 UNL1 0.1356 24 H -3.8783 2.9539 -0.6833 H 1 UNL1 0.1380 25 H -5.6242 1.5492 0.4078 H 1 UNL1 0.1542 26 H -6.0947 1.8820 -1.2653 H 1 UNL1 0.1370 27 H -6.4213 -0.5534 -0.6242 H 1 UNL1 0.1463 28 H -5.2915 -0.3779 -1.9979 H 1 UNL1 0.1446 29 H -2.2863 -1.0770 1.5346 H 1 UNL1 0.1630 30 H -2.1894 -2.3079 0.2752 H 1 UNL1 0.1649 31 H -0.3951 -0.7684 -0.9103 H 1 UNL1 0.1491 32 H -4.9074 -1.7427 1.4576 H 1 UNL1 0.2944 33 H 0.0270 -0.6620 2.1628 H 1 UNL1 0.1593 34 H 1.8911 -1.6519 -0.8241 H 1 UNL1 0.1779 35 H 1.6927 1.2607 2.3703 H 1 UNL1 0.1630 36 H 4.0371 1.9919 1.9289 H 1 UNL1 0.1730 37 H 5.9043 0.4558 -2.1197 H 1 UNL1 0.1407 38 H 6.5254 -0.8261 -0.9135 H 1 UNL1 0.1411 @BOND 1 37 19 1 2 23 7 1 3 28 9 1 4 20 5 1 5 2 19 1 6 2 15 1 7 26 8 1 8 19 38 1 9 19 3 1 10 7 24 1 11 7 8 1 12 7 6 1 13 9 8 1 14 9 27 1 15 9 4 1 16 31 11 1 17 34 14 1 18 8 25 1 19 15 14 ar 20 15 17 ar 21 5 4 1 22 5 6 1 23 5 10 1 24 21 6 1 25 14 13 ar 26 4 1 1 27 3 17 1 28 6 22 1 29 11 10 1 30 11 12 2 31 30 10 1 32 17 18 ar 33 10 29 1 34 13 12 1 35 13 16 ar 36 12 33 1 37 1 32 1 38 18 16 ar 39 18 36 1 40 16 35 1