REMARK Name = BDB063766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.748 -0.254 0.328 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.646 -1.021 -0.996 0.00 0.00 -0.001 A ATOM 3 C LIG 1 -0.799 -2.424 -1.045 0.00 0.00 +0.049 A ATOM 4 CL LIG 1 -1.135 -3.367 0.364 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -0.711 -3.119 -2.255 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.476 -2.423 -3.430 0.00 0.00 +0.125 A ATOM 7 F LIG 1 -0.394 -3.091 -4.588 0.00 0.00 -0.205 F ATOM 8 C LIG 1 -0.333 -1.045 -3.423 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -0.423 -0.346 -2.217 0.00 0.00 +0.010 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 C LIG 1 1.720 -0.338 1.089 0.00 0.00 +0.221 C ATOM 11 N LIG 1 0.344 -0.525 1.322 0.00 0.00 -0.257 N ATOM 12 O LIG 1 2.571 -0.391 1.984 0.00 0.00 -0.275 OA BRANCH 11 13 ATOM 13 C LIG 1 -0.080 -0.875 2.664 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.249 -0.343 3.236 0.00 0.00 +0.025 A ATOM 15 C LIG 1 -1.663 -0.719 4.520 0.00 0.00 +0.022 A ATOM 16 C LIG 1 -0.915 -1.636 5.251 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 -1.428 -2.098 6.826 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 0.243 -2.178 4.710 0.00 0.00 +0.022 A ATOM 19 C LIG 1 0.655 -1.798 3.427 0.00 0.00 +0.025 A ENDBRANCH 11 13 BRANCH 10 20 ATOM 20 C LIG 1 2.191 -0.080 -0.329 0.00 0.00 +0.107 C BRANCH 20 21 ATOM 21 C LIG 1 3.677 0.270 -0.392 0.00 0.00 +0.130 C BRANCH 21 22 ATOM 22 C LIG 1 4.093 0.566 -1.810 0.00 0.00 +0.307 C ATOM 23 O LIG 1 3.358 0.506 -2.787 0.00 0.00 -0.251 OA BRANCH 22 25 ATOM 24 C LIG 1 5.907 1.203 -3.146 0.00 0.00 +0.280 C ATOM 25 O LIG 1 5.412 0.903 -1.840 0.00 0.00 -0.468 OA ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 1 26 ATOM 26 C LIG 1 -0.993 1.264 0.196 0.00 0.00 +0.188 C ATOM 27 O LIG 1 -0.086 2.092 0.294 0.00 0.00 -0.290 OA BRANCH 26 28 ATOM 28 C LIG 1 -2.381 1.773 -0.069 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -2.608 3.153 0.066 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -3.877 3.694 -0.163 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -4.926 2.859 -0.533 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 -6.488 3.519 -0.817 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -4.716 1.489 -0.676 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -3.446 0.944 -0.446 0.00 0.00 +0.013 A ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9