REMARK Name = BDB064250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.689 -0.816 0.968 0.00 0.00 +0.251 C ATOM 2 N LIG 1 1.509 -0.948 -0.141 0.00 0.00 -0.297 N ATOM 3 H LIG 1 1.123 -0.718 -1.046 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 1.144 -0.931 2.103 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 C LIG 1 -6.620 1.314 0.650 0.00 0.00 +0.105 C ATOM 6 N LIG 1 -5.259 1.045 0.192 0.00 0.00 -0.300 NA ATOM 7 C LIG 1 -4.388 0.722 1.348 0.00 0.00 +0.126 C ATOM 8 C LIG 1 -3.047 0.225 0.885 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -2.776 -0.239 -0.385 0.00 0.00 -0.034 A ATOM 10 C LIG 1 -1.421 -0.666 -0.512 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -0.706 -0.516 0.666 0.00 0.00 +0.074 A ATOM 12 C LIG 1 -3.843 -0.232 -1.437 0.00 0.00 +0.051 C ATOM 13 S LIG 1 -1.702 0.121 1.915 0.00 0.00 -0.087 S ATOM 14 C LIG 1 -5.245 -0.045 -0.808 0.00 0.00 +0.089 C ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 2.985 -1.209 -0.025 0.00 0.00 +0.106 C ATOM 16 C LIG 1 3.326 -2.462 0.842 0.00 0.00 +0.192 C ATOM 17 O LIG 1 4.039 -3.086 -0.256 0.00 0.00 -0.375 OA ATOM 18 C LIG 1 3.471 -2.135 -1.186 0.00 0.00 +0.192 C BRANCH 15 19 ATOM 19 C LIG 1 3.879 0.128 0.217 0.00 0.00 -0.020 A ATOM 20 C LIG 1 3.317 1.420 0.325 0.00 0.00 +0.007 A ATOM 21 C LIG 1 4.100 2.564 0.527 0.00 0.00 +0.020 A ATOM 22 C LIG 1 5.480 2.448 0.628 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 6.445 3.850 0.873 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 6.080 1.200 0.530 0.00 0.00 +0.020 A ATOM 25 C LIG 1 5.288 0.064 0.329 0.00 0.00 +0.007 A ENDBRANCH 15 19 ENDBRANCH 2 15 TORSDOF 3