@MOLECULE bcx4430 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.8882 -0.2355 -0.3736 C.3 1 UNL1 0.0508 2 C -1.4716 -1.0423 0.8234 C.3 1 UNL1 0.0517 3 C -3.0080 -0.8208 0.7694 C.3 1 UNL1 0.0468 4 CA -3.2530 0.2124 -0.3641 C.3 1 UNL1 -0.0150 5 C 0.6324 1.6066 0.6578 C.ar 1 UNL1 -0.0144 6 C 3.3335 -1.5753 -1.0104 C.ar 1 UNL1 0.2511 7 C -4.1851 1.3291 0.1347 C.3 1 UNL1 -0.0465 8 H -1.6165 -2.9737 1.1951 H 1 UNL1 0.3177 9 H -3.2837 -2.4446 -0.3211 H 1 UNL1 0.3374 10 H -5.1805 2.7398 -0.8369 H 1 UNL1 0.3056 11 H -1.7666 1.6647 -0.6144 H 1 UNL1 0.2663 12 H 2.4254 2.5781 1.2700 H 1 UNL1 0.3136 13 H 6.0174 0.7733 0.4230 H 1 UNL1 0.3182 14 H 4.9822 2.0768 0.7592 H 1 UNL1 0.2932 15 C 0.3945 0.4093 -0.0141 C.ar 1 UNL1 -0.1635 16 C 4.0331 0.3705 0.0889 C.ar 1 UNL1 0.4085 17 O -1.1698 -2.3878 0.5427 O.3 1 UNL1 -0.5172 18 O -3.6663 -2.0244 0.4878 O.3 1 UNL1 -0.5458 19 O -4.3919 2.1823 -0.9772 O.3 1 UNL1 -0.5251 20 N 5.0825 1.0958 0.6236 N.pl3 1 UNL1 -0.5963 21 N 2.0262 -1.3167 -0.9272 N.ar 1 UNL1 -0.4243 22 N 4.3444 -0.7820 -0.5389 N.ar 1 UNL1 -0.5383 23 N -1.9407 0.6963 -0.8506 N.3 1 UNL1 -0.5407 24 C 1.6792 -0.1637 -0.2994 C.ar 1 UNL1 0.1953 25 C 2.6679 0.7396 0.2318 C.ar 1 UNL1 -0.1788 26 N 1.9951 1.8168 0.8003 N.ar 1 UNL1 -0.3094 27 H -0.7074 -0.9642 -1.2273 H 1 UNL1 0.2067 28 H -1.0245 -0.7690 1.7970 H 1 UNL1 0.1286 29 H -3.4408 -0.5242 1.7445 H 1 UNL1 0.1401 30 HA -3.7407 -0.2893 -1.2474 H 1 UNL1 0.1783 31 H -0.0799 2.3237 1.0338 H 1 UNL1 0.1710 32 H 3.6492 -2.5052 -1.5122 H 1 UNL1 0.1986 33 H1 -5.1493 0.9058 0.4713 H 1 UNL1 0.1226 34 H2 -3.7367 1.9292 0.9466 H 1 UNL1 0.1134 @BOND 1 32 6 1 2 30 4 1 3 27 1 1 4 6 21 ar 5 6 22 ar 6 19 10 1 7 19 7 1 8 21 24 ar 9 23 11 1 10 23 1 1 11 23 4 1 12 22 16 ar 13 1 15 1 14 1 2 1 15 4 7 1 16 4 3 1 17 9 18 1 18 24 15 ar 19 24 25 ar 20 15 5 ar 21 16 25 ar 22 16 20 1 23 7 33 1 24 7 34 1 25 25 26 ar 26 13 20 1 27 18 3 1 28 17 2 1 29 17 8 1 30 20 14 1 31 5 26 ar 32 5 31 1 33 3 2 1 34 3 29 1 35 26 12 1 36 2 28 1