@MOLECULE 7-chloro-5-(2-fluorophenyl)-1-[2-(methylsulfonyl)ethyl]-1,3-dihydro-2h-1,4-benzodiazepin-2-one 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.5519 3.8710 0.9968 Cl 1 UNL111111111 -0.0571 2 S 4.2291 -0.3457 1.0700 S.O2 1 UNL111111111 2.2363 3 F -4.2616 -1.2200 -0.8117 F 1 UNL111111111 -0.1527 4 O 5.1843 -1.2517 0.4773 O.2 1 UNL111111111 -0.8981 5 O 4.4731 1.0807 1.0812 O.2 1 UNL111111111 -0.9202 6 O 1.7602 -1.2784 -3.2587 O.2 1 UNL111111111 -0.4769 7 N 1.2023 0.1489 -1.6072 N.am 1 UNL111111111 -0.5096 8 N -1.3360 -1.4383 -1.9620 N.2 1 UNL111111111 -0.3328 9 C 2.5901 0.1345 -1.0991 C.3 1 UNL111111111 -0.0329 10 C 2.6416 -0.5916 0.2539 C.3 1 UNL111111111 -0.6267 11 C 0.2810 1.0158 -0.9751 C.ar 1 UNL111111111 0.2147 12 C -1.0092 0.5921 -0.6075 C.ar 1 UNL111111111 -0.1629 13 C 0.8776 -0.6963 -2.6741 C.2 1 UNL111111111 0.5704 14 C -1.4866 -0.7822 -0.8675 C.2 1 UNL111111111 0.2026 15 C -0.5884 -0.8516 -3.0587 C.3 1 UNL111111111 -0.2160 16 C 0.6771 2.3412 -0.7024 C.ar 1 UNL111111111 -0.2010 17 C -1.8881 1.4890 0.0079 C.ar 1 UNL111111111 -0.1134 18 C -2.1912 -1.4313 0.2558 C.ar 1 UNL111111111 -0.1119 19 C 3.9463 -0.8735 2.7474 C.3 1 UNL111111111 -0.7611 20 C -0.1947 3.2282 -0.0907 C.ar 1 UNL111111111 -0.1124 21 C -1.4692 2.7846 0.2521 C.ar 1 UNL111111111 -0.0239 22 C -3.5724 -1.6354 0.2370 C.ar 1 UNL111111111 0.2240 23 C -1.4700 -1.8602 1.3720 C.ar 1 UNL111111111 -0.0971 24 C -4.2518 -2.2435 1.2916 C.ar 1 UNL111111111 -0.2192 25 C -2.1298 -2.4700 2.4360 C.ar 1 UNL111111111 -0.1796 26 C -3.5122 -2.6605 2.3949 C.ar 1 UNL111111111 -0.0887 27 H 2.9712 1.1813 -1.0205 H 1 UNL111111111 0.1631 28 H 3.2458 -0.3817 -1.8512 H 1 UNL111111111 0.1900 29 H 2.4522 -1.6721 0.0954 H 1 UNL111111111 0.1877 30 H 1.8209 -0.2327 0.9020 H 1 UNL111111111 0.1729 31 H -1.0148 0.1133 -3.4183 H 1 UNL111111111 0.1744 32 H -0.6589 -1.5714 -3.9201 H 1 UNL111111111 0.2075 33 H 1.6766 2.6816 -0.9868 H 1 UNL111111111 0.1846 34 H -2.8940 1.1604 0.2871 H 1 UNL111111111 0.1867 35 H 4.8838 -0.8506 3.3234 H 1 UNL111111111 0.1929 36 H 3.2467 -0.2195 3.2794 H 1 UNL111111111 0.1826 37 H 3.5758 -1.9020 2.8118 H 1 UNL111111111 0.1820 38 H 0.1171 4.2556 0.1128 H 1 UNL111111111 0.1796 39 H -0.3903 -1.7192 1.4024 H 1 UNL111111111 0.1541 40 H -5.3299 -2.3924 1.2524 H 1 UNL111111111 0.1774 41 H -1.5636 -2.8035 3.3035 H 1 UNL111111111 0.1561 42 H -4.0171 -3.1409 3.2333 H 1 UNL111111111 0.1548 @BOND 1 1 21 1 2 2 4 2 3 2 5 2 4 2 10 1 5 2 19 1 6 3 22 1 7 6 13 2 8 7 9 1 9 7 11 1 10 7 13 am 11 8 14 2 12 8 15 1 13 9 10 1 14 9 27 1 15 9 28 1 16 10 29 1 17 10 30 1 18 11 12 ar 19 11 16 ar 20 12 14 1 21 12 17 ar 22 13 15 1 23 14 18 1 24 15 31 1 25 15 32 1 26 16 20 ar 27 16 33 1 28 17 21 ar 29 17 34 1 30 18 22 ar 31 18 23 ar 32 19 35 1 33 19 36 1 34 19 37 1 35 20 21 ar 36 20 38 1 37 22 24 ar 38 23 25 ar 39 23 39 1 40 24 26 ar 41 24 40 1 42 25 26 ar 43 25 41 1 44 26 42 1