@MOLECULE 3-(4-bromo-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)-l-alanine 20 20 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -1.2125 -1.5312 -0.3429 Br 1 UNL1111111 0.0534 2 O -0.1609 2.3977 -0.2865 O.2 1 UNL1111111 -0.0559 3 OXT 1.3662 -0.1572 1.7620 O.3 1 UNL1111111 -0.5509 4 O 2.8007 -1.5192 0.7145 O.2 1 UNL1111111 -0.4882 5 O -3.1061 0.9992 0.8674 O.2 1 UNL1111111 -0.4153 6 N 3.7702 0.6956 -0.7983 N.3 1 UNL1111111 -0.6256 7 N -1.5062 2.5090 0.1540 N.ar 1 UNL1111111 -0.4373 8 C 1.3607 0.7904 -1.1773 C.3 1 UNL1111111 -0.3135 9 CA 2.4797 0.7633 -0.1095 C.3 1 UNL1111111 0.0119 10 C 0.0488 1.0590 -0.5683 C.ar 1 UNL1111111 0.2083 11 C -1.0159 0.2969 -0.2179 C.ar 1 UNL1111111 -0.3231 12 C 2.2629 -0.4491 0.7962 C.2 1 UNL1111111 0.5703 13 C -2.0398 1.1840 0.3553 C.ar 1 UNL1111111 0.5640 14 H 1.3481 -0.1614 -1.7579 H 1 UNL1111111 0.1929 15 H 1.6195 1.5733 -1.9367 H 1 UNL1111111 0.2070 16 HA 2.4410 1.7056 0.5052 H 1 UNL1111111 0.1831 17 H1 3.9206 -0.1931 -1.2577 H 1 UNL1111111 0.2719 18 H2 4.5484 0.8862 -0.1858 H 1 UNL1111111 0.2664 19 H -1.5453 3.2267 0.8586 H 1 UNL1111111 0.3139 20 HXT 1.1484 -0.9209 2.3585 H 1 UNL1111111 0.3667 @BOND 1 15 8 1 2 14 8 1 3 17 6 1 4 8 10 1 5 8 9 1 6 6 18 1 7 6 9 1 8 10 2 ar 9 10 11 ar 10 1 11 1 11 2 7 ar 12 11 13 ar 13 9 16 1 14 9 12 1 15 7 13 ar 16 7 19 1 17 13 5 2 18 4 12 2 19 12 3 1 20 3 20 1