@MOLECULE (s)-3-(4-(2-carbazol-9-yl-ethoxy)-phenyl)-2-ethoxy-propionic acid 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.1311 3.2915 1.4892 C.ar 1 UNL1111111111 -0.1996 2 C -5.6754 2.0148 1.5922 C.ar 1 UNL1111111111 -0.0924 3 C -5.1802 1.0122 0.7695 C.ar 1 UNL1111111111 -0.0953 4 C -4.1379 1.3102 -0.1669 C.ar 1 UNL1111111111 0.1579 5 C -3.5913 2.5890 -0.2647 C.ar 1 UNL1111111111 -0.2291 6 C -4.1048 3.5699 0.5761 C.ar 1 UNL1111111111 -0.0960 7 C -5.4900 -0.3918 0.6209 C.ar 1 UNL1111111111 -0.0946 8 C -4.6299 -0.9013 -0.4050 C.ar 1 UNL1111111111 0.1569 9 N -3.8617 0.1569 -0.9253 N.ar 1 UNL1111111111 -0.3549 10 C -6.3881 -1.2421 1.2514 C.ar 1 UNL1111111111 -0.0911 11 C -6.4180 -2.5810 0.8720 C.ar 1 UNL1111111111 -0.2015 12 C -5.5675 -3.0699 -0.1289 C.ar 1 UNL1111111111 -0.0956 13 C -4.6622 -2.2425 -0.7840 C.ar 1 UNL1111111111 -0.2333 14 C -2.6541 -0.0340 -1.7048 C.3 1 UNL1111111111 -0.0851 15 C -1.4988 -0.5424 -0.8115 C.3 1 UNL1111111111 -0.0782 16 O -0.3426 -0.2314 -1.5851 O.3 1 UNL1111111111 -0.3451 17 C 0.8648 -0.5655 -1.0528 C.ar 1 UNL1111111111 0.2539 18 C 1.9402 -0.1861 -1.8723 C.ar 1 UNL1111111111 -0.2550 19 C 3.2289 -0.4713 -1.4508 C.ar 1 UNL1111111111 -0.0821 20 C 3.4501 -1.1247 -0.2307 C.ar 1 UNL1111111111 -0.0676 21 C 2.3686 -1.4894 0.5673 C.ar 1 UNL1111111111 -0.0977 22 C 1.0617 -1.2131 0.1643 C.ar 1 UNL1111111111 -0.2971 23 C 4.8506 -1.4117 0.2106 C.3 1 UNL1111111111 -0.2833 24 C 5.5069 -0.1181 0.7173 C.3 1 UNL1111111111 0.0556 25 C 6.8452 -0.3664 1.4019 C.2 1 UNL1111111111 0.5917 26 O 6.9296 -1.6357 1.8758 O.3 1 UNL1111111111 -0.5665 27 O 7.7421 0.4131 1.5778 O.2 1 UNL1111111111 -0.5024 28 O 5.7503 0.6337 -0.4476 O.3 1 UNL1111111111 -0.3808 29 C 5.9159 2.0375 -0.2310 C.3 1 UNL1111111111 -0.0298 30 C 5.9427 2.6115 -1.6417 C.3 1 UNL1111111111 -0.4543 31 H -5.5057 4.0888 2.1268 H 1 UNL1111111111 0.1522 32 H -6.4721 1.8003 2.3009 H 1 UNL1111111111 0.1548 33 H -2.7975 2.8127 -0.9692 H 1 UNL1111111111 0.1635 34 H -3.7004 4.5808 0.5258 H 1 UNL1111111111 0.1485 35 H -7.0511 -0.8642 2.0264 H 1 UNL1111111111 0.1550 36 H -7.1129 -3.2618 1.3579 H 1 UNL1111111111 0.1522 37 H -5.6191 -4.1244 -0.3991 H 1 UNL1111111111 0.1476 38 H -4.0121 -2.6259 -1.5622 H 1 UNL1111111111 0.1616 39 H -2.3605 0.9280 -2.1921 H 1 UNL1111111111 0.1735 40 H -2.8538 -0.7535 -2.5328 H 1 UNL1111111111 0.1646 41 H -1.5572 -1.6298 -0.6391 H 1 UNL1111111111 0.1392 42 H -1.4594 -0.0056 0.1530 H 1 UNL1111111111 0.1446 43 H 1.7489 0.3201 -2.8141 H 1 UNL1111111111 0.1699 44 H 4.0844 -0.1757 -2.0627 H 1 UNL1111111111 0.1680 45 H 2.5367 -1.9953 1.5179 H 1 UNL1111111111 0.1517 46 H 0.2316 -1.5043 0.7978 H 1 UNL1111111111 0.1641 47 H 5.4496 -1.8286 -0.6288 H 1 UNL1111111111 0.1725 48 H 4.8784 -2.1914 1.0017 H 1 UNL1111111111 0.1742 49 H 4.8362 0.4245 1.4266 H 1 UNL1111111111 0.1543 50 H 7.7837 -1.8347 2.3321 H 1 UNL1111111111 0.3556 51 H 6.8667 2.2053 0.3089 H 1 UNL1111111111 0.1426 52 H 5.0721 2.4285 0.3621 H 1 UNL1111111111 0.1159 53 H 6.1448 3.6874 -1.6265 H 1 UNL1111111111 0.1505 54 H 6.7231 2.1289 -2.2458 H 1 UNL1111111111 0.1603 55 H 4.9881 2.4484 -2.1575 H 1 UNL1111111111 0.1555 @BOND 1 1 2 ar 2 1 6 ar 3 1 31 1 4 2 3 ar 5 2 32 1 6 3 4 ar 7 3 7 ar 8 4 5 ar 9 4 9 ar 10 5 6 ar 11 5 33 1 12 6 34 1 13 7 8 ar 14 7 10 ar 15 8 9 ar 16 8 13 ar 17 9 14 1 18 10 11 ar 19 10 35 1 20 11 12 ar 21 11 36 1 22 12 13 ar 23 12 37 1 24 13 38 1 25 14 15 1 26 14 39 1 27 14 40 1 28 15 16 1 29 15 41 1 30 15 42 1 31 16 17 1 32 17 18 ar 33 17 22 ar 34 18 19 ar 35 18 43 1 36 19 20 ar 37 19 44 1 38 20 21 ar 39 20 23 1 40 21 22 ar 41 21 45 1 42 22 46 1 43 23 24 1 44 23 47 1 45 23 48 1 46 24 25 1 47 24 28 1 48 24 49 1 49 25 26 1 50 25 27 2 51 26 50 1 52 28 29 1 53 29 30 1 54 29 51 1 55 29 52 1 56 30 53 1 57 30 54 1 58 30 55 1