@MOLECULE 2-acetyl-10-[3-[4-(b-hydroxyethyl)piperazinyl]propyl]phenothiazine 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.8147 0.8099 1.9245 S.3 1 UNL1111111111 0.1048 2 O 7.0682 -0.4015 0.4521 O.3 1 UNL1111111111 -0.5622 3 O 3.1346 2.6045 -0.5542 O.2 1 UNL1111111111 -0.4525 4 N 0.7304 -1.7438 0.1930 N.3 1 UNL1111111111 -0.4356 5 N 3.5875 -1.3942 0.2196 N.3 1 UNL1111111111 -0.4264 6 N -2.0722 -0.0356 -1.0066 N.pl3 1 UNL1111111111 -0.4312 7 C 1.6218 -2.6780 -0.5329 C.3 1 UNL1111111111 -0.1207 8 C 1.4179 -1.2722 1.4212 C.3 1 UNL1111111111 -0.1224 9 C 2.8732 -1.8845 -0.9834 C.3 1 UNL1111111111 -0.1131 10 C 2.7009 -0.5119 1.0175 C.3 1 UNL1111111111 -0.1237 11 C -0.5772 -2.3555 0.5267 C.3 1 UNL1111111111 -0.1176 12 C -1.4625 -2.4846 -0.7281 C.3 1 UNL1111111111 -0.3170 13 C 4.8291 -0.6748 -0.1554 C.3 1 UNL1111111111 -0.1479 14 C -1.4419 -1.2292 -1.6183 C.3 1 UNL1111111111 -0.0534 15 C 5.8575 -0.9451 0.9609 C.3 1 UNL1111111111 0.0070 16 C -1.1938 0.8374 -0.3172 C.ar 1 UNL1111111111 0.2120 17 C -3.4125 -0.1996 -0.5863 C.ar 1 UNL1111111111 0.2134 18 C -1.4124 1.3089 0.9851 C.ar 1 UNL1111111111 -0.1651 19 C -3.8882 0.1922 0.6739 C.ar 1 UNL1111111111 -0.2044 20 C -0.0712 1.3063 -1.0266 C.ar 1 UNL1111111111 -0.1656 21 C -4.3273 -0.7233 -1.5209 C.ar 1 UNL1111111111 -0.2258 22 C -0.5062 2.1780 1.5891 C.ar 1 UNL1111111111 -0.1152 23 C 0.8367 2.1549 -0.4081 C.ar 1 UNL1111111111 -0.1170 24 C -5.2396 0.0735 0.9910 C.ar 1 UNL1111111111 -0.0886 25 C 0.6331 2.5854 0.9034 C.ar 1 UNL1111111111 -0.1445 26 C -5.6701 -0.8496 -1.1921 C.ar 1 UNL1111111111 -0.0987 27 C -6.1319 -0.4547 0.0631 C.ar 1 UNL1111111111 -0.1979 28 C 2.0687 2.5886 -1.1208 C.2 1 UNL1111111111 0.4971 29 C 1.9298 2.9955 -2.5556 C.3 1 UNL1111111111 -0.5408 30 H 1.9314 -3.5482 0.0843 H 1 UNL1111111111 0.1284 31 H 1.0916 -3.0699 -1.4237 H 1 UNL1111111111 0.1291 32 H 0.7409 -0.5747 1.9612 H 1 UNL1111111111 0.1413 33 H 1.6731 -2.1024 2.1130 H 1 UNL1111111111 0.1249 34 H 3.5535 -2.5612 -1.5426 H 1 UNL1111111111 0.1349 35 H 2.5677 -1.0643 -1.6665 H 1 UNL1111111111 0.1213 36 H 2.4246 0.4187 0.4734 H 1 UNL1111111111 0.1416 37 H 3.2496 -0.2045 1.9330 H 1 UNL1111111111 0.1386 38 H -0.4785 -3.3476 1.0162 H 1 UNL1111111111 0.1181 39 H -1.0905 -1.6915 1.2602 H 1 UNL1111111111 0.1506 40 H -1.1344 -3.3511 -1.3339 H 1 UNL1111111111 0.1465 41 H -2.4993 -2.7111 -0.4108 H 1 UNL1111111111 0.1506 42 H 4.6887 0.4202 -0.2931 H 1 UNL1111111111 0.1504 43 H 5.2374 -1.0544 -1.1160 H 1 UNL1111111111 0.1477 44 H -0.3818 -0.9910 -1.8778 H 1 UNL1111111111 0.1720 45 H -1.9681 -1.4344 -2.5784 H 1 UNL1111111111 0.1381 46 H 5.9931 -2.0267 1.1342 H 1 UNL1111111111 0.1249 47 H 5.5904 -0.4399 1.9026 H 1 UNL1111111111 0.1114 48 H 0.0869 0.9852 -2.0556 H 1 UNL1111111111 0.1676 49 H -3.9839 -1.0127 -2.5118 H 1 UNL1111111111 0.1653 50 H -0.6738 2.5432 2.6053 H 1 UNL1111111111 0.1675 51 H -5.6141 0.3881 1.9682 H 1 UNL1111111111 0.1626 52 H 7.7599 -0.4162 1.1369 H 1 UNL1111111111 0.3101 53 H 1.3655 3.2351 1.3835 H 1 UNL1111111111 0.1710 54 H -6.3687 -1.2557 -1.9234 H 1 UNL1111111111 0.1512 55 H -7.1845 -0.5540 0.3137 H 1 UNL1111111111 0.1560 56 H 1.0130 3.5728 -2.7349 H 1 UNL1111111111 0.1750 57 H 1.9014 2.1146 -3.2127 H 1 UNL1111111111 0.1776 58 H 2.7836 3.6096 -2.8796 H 1 UNL1111111111 0.1787 @BOND 1 1 18 1 2 1 19 1 3 2 15 1 4 2 52 1 5 3 28 2 6 4 7 1 7 4 8 1 8 4 11 1 9 5 9 1 10 5 10 1 11 5 13 1 12 6 14 1 13 6 16 1 14 6 17 1 15 7 9 1 16 7 30 1 17 7 31 1 18 8 10 1 19 8 32 1 20 8 33 1 21 9 34 1 22 9 35 1 23 10 36 1 24 10 37 1 25 11 12 1 26 11 38 1 27 11 39 1 28 12 14 1 29 12 40 1 30 12 41 1 31 13 15 1 32 13 42 1 33 13 43 1 34 14 44 1 35 14 45 1 36 15 46 1 37 15 47 1 38 16 18 ar 39 16 20 ar 40 17 19 ar 41 17 21 ar 42 18 22 ar 43 19 24 ar 44 20 23 ar 45 20 48 1 46 21 26 ar 47 21 49 1 48 22 25 ar 49 22 50 1 50 23 25 ar 51 23 28 1 52 24 27 ar 53 24 51 1 54 25 53 1 55 26 27 ar 56 26 54 1 57 27 55 1 58 28 29 1 59 29 56 1 60 29 57 1 61 29 58 1