@MOLECULE cefprozil 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.1543 1.0352 -0.8853 S.3 1 UNL1111111111 -0.0185 2 O 1.7072 -3.0168 0.6769 O.2 1 UNL1111111111 -0.3643 3 O -2.6221 -2.7517 -1.2101 O.2 1 UNL1111111111 -0.5236 4 O 3.5878 -1.0685 1.8769 O.3 1 UNL1111111111 -0.5287 5 OXT 5.0475 -1.2554 0.1913 O.2 1 UNL1111111111 -0.4653 6 O -4.2917 3.9187 0.0505 O.3 1 UNL1111111111 -0.4713 7 N 1.9367 -1.0803 -0.6986 N.am 1 UNL1111111111 -0.4819 8 N -1.1469 -1.6042 0.0727 N.am 1 UNL1111111111 -0.5798 9 N -4.8010 -2.3286 0.4385 N.3 1 UNL1111111111 -0.6104 10 C 0.7147 -0.6238 -1.4148 C.3 1 UNL1111111111 -0.0400 11 CA -0.0564 -1.8711 -0.8147 C.3 1 UNL1111111111 -0.0017 12 C 1.2896 -2.1910 -0.0576 C.2 1 UNL1111111111 0.5429 13 CA 2.8842 -0.2086 -0.1634 C.2 1 UNL1111111111 0.0588 14 C 1.7838 1.8755 -1.0050 C.3 1 UNL1111111111 -0.3084 15 C 2.8699 1.1354 -0.3061 C.2 1 UNL1111111111 -0.0364 16 C -2.4209 -2.0517 -0.2428 C.2 1 UNL1111111111 0.5333 17 C 3.9732 -0.9005 0.5902 C.2 1 UNL1111111111 0.6412 18 CA -3.5474 -1.6126 0.7164 C.3 1 UNL1111111111 -0.0099 19 C 3.9444 1.9786 0.2138 C.2 1 UNL1111111111 -0.2414 20 C -3.7406 -0.1265 0.5612 C.ar 1 UNL1111111111 -0.1206 21 C 5.2272 1.8221 -0.1361 C.2 1 UNL1111111111 -0.0622 22 C -3.8259 0.6828 1.6927 C.ar 1 UNL1111111111 -0.0568 23 C -3.8497 0.4347 -0.7183 C.ar 1 UNL1111111111 -0.0830 24 C 6.3195 2.6835 0.3864 C.3 1 UNL1111111111 -0.4503 25 C -4.0057 2.0582 1.5620 C.ar 1 UNL1111111111 -0.3112 26 C -4.0310 1.8001 -0.8746 C.ar 1 UNL1111111111 -0.2375 27 C -4.1077 2.5937 0.2776 C.ar 1 UNL1111111111 0.3042 28 H 0.8498 -0.6654 -2.5136 H 1 UNL1111111111 0.1783 29 HA -0.3193 -2.6355 -1.5848 H 1 UNL1111111111 0.2065 30 H -0.9849 -0.9769 0.8501 H 1 UNL1111111111 0.3296 31 H 1.6454 2.8925 -0.5783 H 1 UNL1111111111 0.1819 32 H 2.0509 2.0295 -2.0729 H 1 UNL1111111111 0.1800 33 HA -3.2517 -1.8787 1.7707 H 1 UNL1111111111 0.1727 34 H 3.6219 2.7591 0.9043 H 1 UNL1111111111 0.1650 35 H 5.5466 1.0386 -0.8301 H 1 UNL1111111111 0.1629 36 H1 -4.6446 -3.3186 0.2989 H 1 UNL1111111111 0.2653 37 H2 -5.2738 -1.9639 -0.3755 H 1 UNL1111111111 0.2596 38 H 4.2426 -1.5785 2.4213 H 1 UNL1111111111 0.3564 39 H -3.7603 0.2425 2.6885 H 1 UNL1111111111 0.1557 40 H -3.7849 -0.2049 -1.6020 H 1 UNL1111111111 0.1639 41 H 5.9696 3.4476 1.0931 H 1 UNL1111111111 0.1525 42 H 6.8359 3.2080 -0.4322 H 1 UNL1111111111 0.1594 43 H 7.0790 2.0807 0.9098 H 1 UNL1111111111 0.1648 44 H -4.0692 2.6918 2.4391 H 1 UNL1111111111 0.1604 45 H -4.1100 2.2602 -1.8567 H 1 UNL1111111111 0.1800 46 H -4.3353 4.4429 0.8854 H 1 UNL1111111111 0.3280 @BOND 1 1 10 1 2 1 14 1 3 2 12 2 4 3 16 2 5 4 17 1 6 4 38 1 7 5 17 2 8 6 27 1 9 6 46 1 10 7 10 1 11 7 12 am 12 7 13 1 13 8 11 1 14 8 16 am 15 8 30 1 16 9 18 1 17 9 36 1 18 9 37 1 19 10 11 1 20 10 28 1 21 11 12 1 22 11 29 1 23 13 15 2 24 13 17 1 25 14 15 1 26 14 31 1 27 14 32 1 28 15 19 1 29 16 18 1 30 18 20 1 31 18 33 1 32 19 21 2 33 19 34 1 34 20 22 ar 35 20 23 ar 36 21 24 1 37 21 35 1 38 22 25 ar 39 22 39 1 40 23 26 ar 41 23 40 1 42 24 41 1 43 24 42 1 44 24 43 1 45 25 27 ar 46 25 44 1 47 26 27 ar 48 26 45 1