REMARK Name = BDB006732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.943 -0.241 -2.214 0.00 0.00 +0.068 C ATOM 2 C LIG 1 -3.225 -0.714 -1.008 0.00 0.00 +0.066 A ATOM 3 C LIG 1 -1.884 -0.530 -0.653 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -0.604 0.059 -1.076 0.00 0.00 +0.147 C ATOM 5 N LIG 1 0.300 -0.345 0.052 0.00 0.00 -0.238 N ATOM 6 C LIG 1 -0.423 -1.064 1.058 0.00 0.00 +0.271 C ATOM 7 O LIG 1 -0.048 -1.504 2.129 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -1.740 -1.152 0.548 0.00 0.00 +0.130 A ATOM 9 N LIG 1 -2.932 -1.672 0.883 0.00 0.00 -0.256 N ATOM 10 N LIG 1 -3.874 -1.416 -0.057 0.00 0.00 -0.175 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 1.672 -0.147 0.087 0.00 0.00 +0.150 A ATOM 12 N LIG 1 2.348 -0.559 1.113 0.00 0.00 -0.148 NA ATOM 13 N LIG 1 3.681 -0.312 1.053 0.00 0.00 -0.190 N ATOM 14 C LIG 1 4.363 0.317 0.034 0.00 0.00 +0.181 A ATOM 15 N LIG 1 5.644 0.375 0.327 0.00 0.00 -0.127 NA ATOM 16 N LIG 1 5.820 -0.219 1.554 0.00 0.00 -0.126 NA ATOM 17 C LIG 1 3.627 0.768 -1.093 0.00 0.00 -0.001 A ATOM 18 C LIG 1 4.278 1.468 -2.257 0.00 0.00 +0.048 C ATOM 19 C LIG 1 4.638 -0.628 1.982 0.00 0.00 +0.221 A ATOM 20 C LIG 1 2.298 0.545 -1.087 0.00 0.00 +0.053 A BRANCH 19 21 ATOM 21 C LIG 1 4.327 -1.318 3.243 0.00 0.00 +0.410 C ATOM 22 F LIG 1 3.772 -2.542 3.033 0.00 0.00 -0.200 F ATOM 23 F LIG 1 3.452 -0.614 4.010 0.00 0.00 -0.200 F ENDBRANCH 19 21 ENDBRANCH 5 11 BRANCH 4 24 ATOM 24 C LIG 1 -0.848 1.552 -1.194 0.00 0.00 -0.022 A ATOM 25 C LIG 1 -1.072 2.113 -2.465 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -1.301 3.483 -2.613 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -1.312 4.309 -1.492 0.00 0.00 +0.041 A ATOM 28 CL LIG 1 -1.593 5.995 -1.675 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 -1.099 3.775 -0.224 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -0.870 2.405 -0.074 0.00 0.00 +0.007 A ENDBRANCH 4 24 BRANCH 9 31 ATOM 31 C LIG 1 -3.216 -2.419 2.120 0.00 0.00 +0.108 C ATOM 32 C LIG 1 -2.614 -3.778 2.392 0.00 0.00 +0.029 C ATOM 33 C LIG 1 -4.086 -3.654 2.136 0.00 0.00 +0.029 C ENDBRANCH 9 31 TORSDOF 4