@MOLECULE 11-(4-(2-(2-hydroxyethoxy)ethyl)-1-piperazinyl)dibenzo(b,f)(1,4)thiazepin-7-ol 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.7214 -0.8662 1.5726 S.3 1 UNL1111111111 0.0612 2 O 6.6622 0.5952 -0.2676 O.3 1 UNL1111111111 -0.4302 3 O 9.3852 -0.4593 0.0732 O.3 1 UNL1111111111 -0.5442 4 O -7.0429 2.4360 -0.5782 O.3 1 UNL1111111111 -0.4702 5 N 3.1190 0.0909 0.3548 N.3 1 UNL1111111111 -0.4149 6 N 0.2773 0.0055 0.1647 N.pl3 1 UNL1111111111 -0.4312 7 N -1.7511 1.0988 0.1845 N.2 1 UNL1111111111 -0.5088 8 C 2.3546 1.1473 -0.3578 C.3 1 UNL1111111111 -0.1298 9 C 2.3822 -1.2001 0.3385 C.3 1 UNL1111111111 -0.1193 10 C 0.9542 1.3124 0.2803 C.3 1 UNL1111111111 -0.0750 11 C 0.9791 -1.0151 0.9647 C.3 1 UNL1111111111 -0.0894 12 C 4.4507 -0.0946 -0.2710 C.3 1 UNL1111111111 -0.1483 13 C -1.1231 -0.0348 0.1036 C.2 1 UNL1111111111 0.3951 14 C 5.4256 0.9210 0.3568 C.3 1 UNL1111111111 -0.0375 15 C -1.6946 -1.3654 -0.2427 C.ar 1 UNL1111111111 -0.0956 16 C -2.8515 -1.8481 0.3680 C.ar 1 UNL1111111111 -0.0739 17 C -1.0705 -2.1283 -1.2346 C.ar 1 UNL1111111111 -0.1194 18 C -3.1164 1.2998 -0.0278 C.ar 1 UNL1111111111 0.1507 19 C -4.1305 0.5394 0.5679 C.ar 1 UNL1111111111 -0.1149 20 C -3.3517 -3.1059 0.0387 C.ar 1 UNL1111111111 -0.1353 21 C 7.7621 1.3242 0.2591 C.3 1 UNL1111111111 -0.0899 22 C -1.5739 -3.3804 -1.5745 C.ar 1 UNL1111111111 -0.1457 23 C -3.4535 2.4287 -0.8080 C.ar 1 UNL1111111111 -0.1178 24 C -2.7050 -3.8752 -0.9268 C.ar 1 UNL1111111111 -0.1297 25 C -5.4702 0.8898 0.4061 C.ar 1 UNL1111111111 -0.2563 26 C -4.7762 2.7855 -0.9825 C.ar 1 UNL1111111111 -0.2012 27 C 8.9682 0.7616 -0.4999 C.3 1 UNL1111111111 -0.0126 28 C -5.7684 2.0104 -0.3641 C.ar 1 UNL1111111111 0.2521 29 H 2.2420 0.9357 -1.4435 H 1 UNL1111111111 0.1284 30 H 2.9131 2.1023 -0.2601 H 1 UNL1111111111 0.1372 31 H 2.9565 -1.9296 0.9506 H 1 UNL1111111111 0.1427 32 H 2.2796 -1.6208 -0.6846 H 1 UNL1111111111 0.1257 33 H 1.0339 1.6453 1.3376 H 1 UNL1111111111 0.1446 34 H 0.3781 2.0948 -0.2640 H 1 UNL1111111111 0.1673 35 H 0.4286 -1.9789 0.9557 H 1 UNL1111111111 0.1464 36 H 1.0730 -0.6982 2.0290 H 1 UNL1111111111 0.1487 37 H 4.4438 0.0183 -1.3759 H 1 UNL1111111111 0.1327 38 H 4.8351 -1.1191 -0.0693 H 1 UNL1111111111 0.1486 39 H 5.4949 0.7904 1.4501 H 1 UNL1111111111 0.1320 40 H 5.1595 1.9639 0.1230 H 1 UNL1111111111 0.1186 41 H -0.1862 -1.7348 -1.7407 H 1 UNL1111111111 0.1712 42 H -4.2513 -3.4943 0.5204 H 1 UNL1111111111 0.1692 43 H 7.6172 2.4009 0.0708 H 1 UNL1111111111 0.1230 44 H 7.8470 1.1408 1.3451 H 1 UNL1111111111 0.1358 45 H -1.0853 -3.9716 -2.3481 H 1 UNL1111111111 0.1580 46 H -2.6494 3.0116 -1.2596 H 1 UNL1111111111 0.1747 47 H -3.0924 -4.8603 -1.1838 H 1 UNL1111111111 0.1538 48 H -6.2677 0.3071 0.8637 H 1 UNL1111111111 0.1725 49 H -5.0629 3.6480 -1.5813 H 1 UNL1111111111 0.1777 50 H 9.8580 1.4097 -0.4018 H 1 UNL1111111111 0.1426 51 H 8.7359 0.5966 -1.5686 H 1 UNL1111111111 0.1330 52 H 8.6333 -1.0889 0.0912 H 1 UNL1111111111 0.3225 53 H -7.7063 1.8629 -0.1262 H 1 UNL1111111111 0.3251 @BOND 1 1 16 1 2 1 19 1 3 2 14 1 4 2 21 1 5 3 27 1 6 3 52 1 7 4 28 1 8 4 53 1 9 5 8 1 10 5 9 1 11 5 12 1 12 6 10 1 13 6 11 1 14 6 13 1 15 7 13 2 16 7 18 1 17 8 10 1 18 8 29 1 19 8 30 1 20 9 11 1 21 9 31 1 22 9 32 1 23 10 33 1 24 10 34 1 25 11 35 1 26 11 36 1 27 12 14 1 28 12 37 1 29 12 38 1 30 13 15 1 31 14 39 1 32 14 40 1 33 15 16 ar 34 15 17 ar 35 16 20 ar 36 17 22 ar 37 17 41 1 38 18 19 ar 39 18 23 ar 40 19 25 ar 41 20 24 ar 42 20 42 1 43 21 27 1 44 21 43 1 45 21 44 1 46 22 24 ar 47 22 45 1 48 23 26 ar 49 23 46 1 50 24 47 1 51 25 28 ar 52 25 48 1 53 26 28 ar 54 26 49 1 55 27 50 1 56 27 51 1