@MOLECULE 3-[(1r,2s)-2-amino-1-hydroxypropyl]-4-fluorophenol 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 F -0.1510 -2.4507 0.2082 F 1 UNL111111111 -0.1750 2 O -1.5017 1.3513 1.2489 O.3 1 UNL111111111 -0.5607 3 O 3.1565 1.8164 -0.1522 O.3 1 UNL111111111 -0.4685 4 N -3.6578 0.1695 -0.0669 N.3 1 UNL111111111 -0.6774 5 C -1.3627 0.0526 0.7055 C.3 1 UNL111111111 0.1404 6 C -2.2801 -0.0992 -0.5521 C.3 1 UNL111111111 0.0250 7 C 0.0880 -0.1207 0.3572 C.ar 1 UNL111111111 -0.0292 8 C -1.8936 0.9104 -1.6341 C.3 1 UNL111111111 -0.4658 9 C 0.9330 0.9838 0.2743 C.ar 1 UNL111111111 -0.2529 10 C 0.6342 -1.3852 0.1165 C.ar 1 UNL111111111 0.0921 11 C 2.2760 0.7857 -0.0513 C.ar 1 UNL111111111 0.2586 12 C 1.9741 -1.5856 -0.2158 C.ar 1 UNL111111111 -0.1447 13 C 2.8129 -0.4817 -0.3043 C.ar 1 UNL111111111 -0.2162 14 H -1.6782 -0.6595 1.5066 H 1 UNL111111111 0.1412 15 H -2.1789 -1.1376 -0.9543 H 1 UNL111111111 0.1287 16 H -2.5615 0.8635 -2.4995 H 1 UNL111111111 0.1441 17 H -1.9144 1.9375 -1.2422 H 1 UNL111111111 0.1678 18 H -0.8728 0.7287 -1.9947 H 1 UNL111111111 0.1608 19 H 0.5402 1.9817 0.4733 H 1 UNL111111111 0.1901 20 H -4.1106 -0.6621 0.2737 H 1 UNL111111111 0.2554 21 H -4.2372 0.5980 -0.7682 H 1 UNL111111111 0.2592 22 H -2.4600 1.5966 1.2280 H 1 UNL111111111 0.3469 23 H 2.3594 -2.5886 -0.3996 H 1 UNL111111111 0.1726 24 H 3.8655 -0.5839 -0.5583 H 1 UNL111111111 0.1784 25 H 2.7377 2.6830 0.0727 H 1 UNL111111111 0.3290 @BOND 1 16 8 1 2 18 8 1 3 8 17 1 4 8 6 1 5 15 6 1 6 21 4 1 7 24 13 1 8 6 4 1 9 6 5 1 10 23 12 1 11 13 12 ar 12 13 11 ar 13 12 10 ar 14 3 11 1 15 3 25 1 16 4 20 1 17 11 9 ar 18 10 1 1 19 10 7 ar 20 9 7 ar 21 9 19 1 22 7 5 1 23 5 2 1 24 5 14 1 25 22 2 1