@MOLECULE 7-amino-4-chloromethylcoumarin 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -2.4486 2.0499 -0.6308 Cl 1 UNL1 -0.1217 2 O 0.4884 -2.0814 -0.1644 O.2 1 UNL1 -0.3706 3 O -1.1239 -3.5421 -0.2414 O.2 1 UNL1 -0.4098 4 N 4.1979 0.8256 -0.2327 N.pl3 1 UNL1 -0.6093 5 C 0.0797 0.2488 0.3294 C.ar 1 UNL1 -0.3083 6 C -1.3174 -0.0395 0.4861 C.ar 1 UNL1 0.1689 7 C 0.9353 -0.8216 -0.0063 C.ar 1 UNL1 0.3888 8 C 0.6623 1.5254 0.4661 C.ar 1 UNL1 0.0327 9 C 2.3087 -0.6636 -0.1963 C.ar 1 UNL1 -0.4277 10 C 2.8530 0.6208 -0.0527 C.ar 1 UNL1 0.3630 11 C -1.7727 -1.3023 0.3069 C.ar 1 UNL1 -0.3942 12 C 2.0113 1.7212 0.2834 C.ar 1 UNL1 -0.3595 13 C -2.2707 1.0535 0.8298 C.3 1 UNL1 -0.2169 14 C -0.8802 -2.3856 -0.0394 C.ar 1 UNL1 0.6050 15 H 0.0305 2.3794 0.7220 H 1 UNL1 0.1529 16 H 2.9197 -1.5234 -0.4508 H 1 UNL1 0.1922 17 H -2.8225 -1.5773 0.3992 H 1 UNL1 0.1950 18 H 2.4432 2.7106 0.3879 H 1 UNL1 0.1654 19 H -1.9105 1.7111 1.6405 H 1 UNL1 0.1683 20 H -3.2811 0.6952 1.0978 H 1 UNL1 0.1713 21 H 4.8056 0.0736 -0.4730 H 1 UNL1 0.3094 22 H 4.5999 1.7310 -0.1446 H 1 UNL1 0.3051 @BOND 1 1 13 1 2 21 4 1 3 16 9 1 4 3 14 2 5 4 22 1 6 4 10 1 7 9 10 ar 8 9 7 ar 9 2 14 ar 10 2 7 ar 11 10 12 ar 12 14 11 ar 13 7 5 ar 14 12 18 1 15 12 8 ar 16 11 17 1 17 11 6 ar 18 5 8 ar 19 5 6 ar 20 8 15 1 21 6 13 1 22 13 20 1 23 13 19 1