@MOLECULE 5-[(2s)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzenesulfonamide 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.6056 0.8553 0.2687 S.O2 1 UNL1111 2.3751 2 O 5.0352 1.7454 0.2192 O.3 1 UNL1111 -0.3395 3 O -5.0805 -2.0061 0.5534 O.3 1 UNL1111 -0.3098 4 O -5.3386 2.2719 0.1240 O.2 1 UNL1111 -0.9246 5 O -6.7363 0.2460 -0.3867 O.2 1 UNL1111 -0.9028 6 O 4.0241 -0.8534 -0.1067 O.3 1 UNL1111 -0.3372 7 N 1.5406 1.6425 -0.8944 N.3 1 UNL1111 -0.5711 8 N -5.8180 0.5984 1.9721 N.3 1 UNL1111 -0.9446 9 C 0.2570 1.2239 -0.2887 C.3 1 UNL1111 0.0862 10 C -0.6974 0.8807 -1.4641 C.3 1 UNL1111 -0.3047 11 C -1.8578 0.0827 -0.9682 C.ar 1 UNL1111 -0.0824 12 C -0.3627 2.2953 0.6216 C.3 1 UNL1111 -0.5019 13 C 2.6547 1.6518 0.0776 C.3 1 UNL1111 -0.1419 14 C -3.0495 0.7198 -0.6211 C.ar 1 UNL1111 -0.0303 15 C -4.1315 -0.0066 -0.1269 C.ar 1 UNL1111 -0.4749 16 C -1.7503 -1.3042 -0.8298 C.ar 1 UNL1111 -0.0608 17 C 3.9670 1.7448 -0.7228 C.3 1 UNL1111 -0.0409 18 C -3.9952 -1.3944 0.0218 C.ar 1 UNL1111 0.3139 19 C -2.8125 -2.0517 -0.3370 C.ar 1 UNL1111 -0.3156 20 C 5.7839 0.6177 0.3542 C.ar 1 UNL1111 0.1565 21 C 5.3391 -0.7126 0.2050 C.ar 1 UNL1111 0.1270 22 C 7.0973 0.8701 0.7548 C.ar 1 UNL1111 -0.1880 23 C -5.1007 -3.4269 0.5760 C.3 1 UNL1111 -0.1929 24 C 6.2169 -1.7694 0.4295 C.ar 1 UNL1111 -0.2395 25 C 7.9657 -0.1944 0.9886 C.ar 1 UNL1111 -0.1568 26 C 7.5304 -1.5051 0.8198 C.ar 1 UNL1111 -0.1443 27 C 3.6337 -2.0810 -0.7360 C.3 1 UNL1111 -0.0210 28 C 2.1964 -1.8110 -1.1580 C.3 1 UNL1111 -0.4678 29 H 0.4418 0.2929 0.3085 H 1 UNL1111 0.1387 30 H -0.1294 0.3205 -2.2377 H 1 UNL1111 0.1627 31 H -1.0262 1.8076 -1.9723 H 1 UNL1111 0.1539 32 H 1.4515 2.5478 -1.3524 H 1 UNL1111 0.2575 33 H -1.3100 1.9459 1.0520 H 1 UNL1111 0.1636 34 H 0.3006 2.5417 1.4573 H 1 UNL1111 0.1505 35 H -0.5751 3.2217 0.0790 H 1 UNL1111 0.1502 36 H 2.6461 0.7074 0.6682 H 1 UNL1111 0.1661 37 H 2.5962 2.4821 0.8117 H 1 UNL1111 0.1259 38 H -3.1231 1.8111 -0.7409 H 1 UNL1111 0.1853 39 H -0.8210 -1.8036 -1.1078 H 1 UNL1111 0.1489 40 H 4.0533 0.9473 -1.4770 H 1 UNL1111 0.1508 41 H 4.0889 2.7273 -1.2159 H 1 UNL1111 0.1354 42 H -2.7146 -3.1258 -0.2306 H 1 UNL1111 0.1609 43 H -6.5033 -0.0842 2.2447 H 1 UNL1111 0.2935 44 H -5.8742 1.4203 2.5492 H 1 UNL1111 0.2958 45 H 7.4273 1.9005 0.8771 H 1 UNL1111 0.1714 46 H -4.9810 -3.8407 -0.4300 H 1 UNL1111 0.1365 47 H -4.3469 -3.8136 1.2679 H 1 UNL1111 0.1313 48 H -6.1149 -3.6296 0.9523 H 1 UNL1111 0.1598 49 H 5.8869 -2.7975 0.3190 H 1 UNL1111 0.1572 50 H 8.9887 0.0050 1.3010 H 1 UNL1111 0.1531 51 H 8.2140 -2.3328 0.9961 H 1 UNL1111 0.1503 52 H 3.7109 -2.8988 -0.0002 H 1 UNL1111 0.1213 53 H 4.2946 -2.2800 -1.5962 H 1 UNL1111 0.1230 54 H 1.8629 -2.5189 -1.9213 H 1 UNL1111 0.1481 55 H 2.0978 -0.7900 -1.5746 H 1 UNL1111 0.1927 56 H 1.5091 -1.8630 -0.3065 H 1 UNL1111 0.1501 @BOND 1 1 4 2 2 1 5 2 3 1 8 1 4 1 15 1 5 2 17 1 6 2 20 1 7 3 18 1 8 3 23 1 9 6 21 1 10 6 27 1 11 7 9 1 12 7 13 1 13 7 32 1 14 8 43 1 15 8 44 1 16 9 10 1 17 9 12 1 18 9 29 1 19 10 11 1 20 10 30 1 21 10 31 1 22 11 14 ar 23 11 16 ar 24 12 33 1 25 12 34 1 26 12 35 1 27 13 17 1 28 13 36 1 29 13 37 1 30 14 15 ar 31 14 38 1 32 15 18 ar 33 16 19 ar 34 16 39 1 35 17 40 1 36 17 41 1 37 18 19 ar 38 19 42 1 39 20 21 ar 40 20 22 ar 41 21 24 ar 42 22 25 ar 43 22 45 1 44 23 46 1 45 23 47 1 46 23 48 1 47 24 26 ar 48 24 49 1 49 25 26 ar 50 25 50 1 51 26 51 1 52 27 28 1 53 27 52 1 54 27 53 1 55 28 54 1 56 28 55 1 57 28 56 1