@MOLECULE 2-amino-2-(2-{2'-fluoro-4'-[(4-methylphenyl)sulfanyl]-4-biphenylyl}ethyl)-1,3-propanediol 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.1694 -1.8715 0.5301 S.3 1 UNL1111111111 0.0590 2 F -0.9888 1.0547 0.6787 F 1 UNL1111111111 -0.1585 3 O 6.8455 2.5950 1.6186 O.3 1 UNL1111111111 -0.5508 4 O 7.5253 -1.3748 0.7519 O.3 1 UNL1111111111 -0.5653 5 N 7.3078 1.7507 -1.0860 N.3 1 UNL1111111111 -0.6679 6 C 6.9978 0.7914 -0.0059 C.3 1 UNL1111111111 0.1514 7 C 5.4963 0.4617 0.1273 C.3 1 UNL1111111111 -0.3151 8 C 4.9008 -0.2401 -1.1023 C.3 1 UNL1111111111 -0.2849 9 C 7.5049 1.3792 1.3390 C.3 1 UNL1111111111 -0.0304 10 C 7.8313 -0.4804 -0.3073 C.3 1 UNL1111111111 -0.0182 11 C 3.4373 -0.4699 -0.8768 C.ar 1 UNL1111111111 0.0191 12 C 2.4874 0.3173 -1.5287 C.ar 1 UNL1111111111 -0.1772 13 C 3.0233 -1.4716 0.0057 C.ar 1 UNL1111111111 -0.1738 14 C 0.7180 -0.8872 -0.4094 C.ar 1 UNL1111111111 -0.0242 15 C 1.1301 0.1083 -1.2981 C.ar 1 UNL1111111111 -0.1221 16 C 1.6690 -1.6790 0.2412 C.ar 1 UNL1111111111 -0.1324 17 C -0.7066 -1.1138 -0.1626 C.ar 1 UNL1111111111 -0.0851 18 C -1.5268 -0.1142 0.3712 C.ar 1 UNL1111111111 0.1982 19 C -1.2941 -2.3469 -0.4560 C.ar 1 UNL1111111111 -0.1096 20 C -2.8885 -0.2957 0.5995 C.ar 1 UNL1111111111 -0.2301 21 C -2.6548 -2.5562 -0.2446 C.ar 1 UNL1111111111 -0.1753 22 C -3.4457 -1.5299 0.2733 C.ar 1 UNL1111111111 -0.0402 23 C -5.9495 -0.3059 0.2255 C.ar 1 UNL1111111111 -0.1277 24 C -5.6391 0.4435 -0.9083 C.ar 1 UNL1111111111 -0.1194 25 C -6.9182 0.1388 1.1231 C.ar 1 UNL1111111111 -0.1095 26 C -7.2613 2.1080 -0.2421 C.ar 1 UNL1111111111 0.0654 27 C -6.2910 1.6513 -1.1385 C.ar 1 UNL1111111111 -0.1892 28 C -7.5762 1.3427 0.8841 C.ar 1 UNL1111111111 -0.1955 29 C -7.9668 3.3968 -0.4893 C.3 1 UNL1111111111 -0.4591 30 H 4.9264 1.3889 0.3298 H 1 UNL1111111111 0.1448 31 H 5.3560 -0.1926 1.0149 H 1 UNL1111111111 0.1679 32 H 5.4163 -1.2089 -1.2732 H 1 UNL1111111111 0.1573 33 H 5.0763 0.3534 -2.0195 H 1 UNL1111111111 0.1407 34 H 8.5671 1.6830 1.2732 H 1 UNL1111111111 0.1518 35 H 7.3743 0.6635 2.1683 H 1 UNL1111111111 0.1380 36 H 8.9126 -0.2595 -0.3048 H 1 UNL1111111111 0.1271 37 H 7.5539 -0.9375 -1.2706 H 1 UNL1111111111 0.1216 38 H 6.6655 1.6841 -1.8578 H 1 UNL1111111111 0.2524 39 H 7.3063 2.7016 -0.7398 H 1 UNL1111111111 0.2730 40 H 2.8027 1.0979 -2.2173 H 1 UNL1111111111 0.1523 41 H 3.7643 -2.0868 0.5135 H 1 UNL1111111111 0.1571 42 H 5.9227 2.4366 1.9002 H 1 UNL1111111111 0.3141 43 H 8.0303 -2.2026 0.6545 H 1 UNL1111111111 0.3152 44 H 0.3904 0.7209 -1.8116 H 1 UNL1111111111 0.1575 45 H 1.3467 -2.4512 0.9376 H 1 UNL1111111111 0.1549 46 H -0.6780 -3.1481 -0.8662 H 1 UNL1111111111 0.1622 47 H -3.4879 0.5129 1.0229 H 1 UNL1111111111 0.1867 48 H -3.0869 -3.5258 -0.4977 H 1 UNL1111111111 0.1689 49 H -4.8878 0.0998 -1.6219 H 1 UNL1111111111 0.1629 50 H -7.1692 -0.4382 2.0150 H 1 UNL1111111111 0.1627 51 H -6.0444 2.2384 -2.0211 H 1 UNL1111111111 0.1585 52 H -8.3355 1.6902 1.5815 H 1 UNL1111111111 0.1562 53 H -8.9376 3.2230 -0.9795 H 1 UNL1111111111 0.1646 54 H -8.1684 3.9447 0.4422 H 1 UNL1111111111 0.1604 55 H -7.3946 4.0730 -1.1398 H 1 UNL1111111111 0.1595 @BOND 1 1 22 1 2 1 23 1 3 2 18 1 4 3 9 1 5 3 42 1 6 4 10 1 7 4 43 1 8 5 6 1 9 5 38 1 10 5 39 1 11 6 7 1 12 6 9 1 13 6 10 1 14 7 8 1 15 7 30 1 16 7 31 1 17 8 11 1 18 8 32 1 19 8 33 1 20 9 34 1 21 9 35 1 22 10 36 1 23 10 37 1 24 11 12 ar 25 11 13 ar 26 12 15 ar 27 12 40 1 28 13 16 ar 29 13 41 1 30 14 15 ar 31 14 16 ar 32 14 17 1 33 15 44 1 34 16 45 1 35 17 18 ar 36 17 19 ar 37 18 20 ar 38 19 21 ar 39 19 46 1 40 20 22 ar 41 20 47 1 42 21 22 ar 43 21 48 1 44 23 24 ar 45 23 25 ar 46 24 27 ar 47 24 49 1 48 25 28 ar 49 25 50 1 50 26 27 ar 51 26 28 ar 52 26 29 1 53 27 51 1 54 28 52 1 55 29 53 1 56 29 54 1 57 29 55 1