REMARK Name = BDB063772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.493 -0.712 -0.608 0.00 0.00 +0.221 C ATOM 2 N LIG 1 0.141 -0.574 0.628 0.00 0.00 -0.257 N ATOM 3 O LIG 1 0.066 -0.388 -1.659 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -0.375 -1.088 1.852 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -0.784 -2.422 1.957 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.272 -2.921 3.169 0.00 0.00 +0.022 A ATOM 7 C LIG 1 -1.342 -2.090 4.283 0.00 0.00 +0.041 A ATOM 8 CL LIG 1 -1.946 -2.701 5.772 0.00 0.00 -0.084 Cl ATOM 9 C LIG 1 -0.915 -0.766 4.200 0.00 0.00 +0.022 A ATOM 10 C LIG 1 -0.425 -0.269 2.989 0.00 0.00 +0.025 A ENDBRANCH 2 4 BRANCH 1 11 ATOM 11 C LIG 1 -1.943 -1.192 -0.622 0.00 0.00 +0.096 C BRANCH 11 12 ATOM 12 C LIG 1 -2.650 -0.848 -1.937 0.00 0.00 +0.010 C BRANCH 12 13 ATOM 13 C LIG 1 -4.078 -1.393 -2.020 0.00 0.00 +0.012 C BRANCH 13 14 ATOM 14 C LIG 1 -5.038 -0.747 -1.021 0.00 0.00 +0.120 C BRANCH 14 16 ATOM 15 O LIG 1 -6.810 -2.095 -2.000 0.00 0.00 -0.251 OA ATOM 16 C LIG 1 -6.458 -1.228 -1.217 0.00 0.00 +0.305 C BRANCH 16 17 ATOM 17 O LIG 1 -7.332 -0.592 -0.402 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 -6.921 0.074 0.179 0.00 0.00 +0.295 HD ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 1.518 -0.001 0.678 0.00 0.00 +0.184 C BRANCH 19 20 ATOM 20 C LIG 1 1.622 1.527 0.602 0.00 0.00 -0.001 A ATOM 21 C LIG 1 2.703 2.213 1.206 0.00 0.00 +0.049 A ATOM 22 CL LIG 1 3.948 1.389 2.081 0.00 0.00 -0.083 Cl ATOM 23 C LIG 1 2.814 3.604 1.132 0.00 0.00 +0.058 A ATOM 24 C LIG 1 1.846 4.333 0.461 0.00 0.00 +0.125 A ATOM 25 F LIG 1 1.950 5.665 0.391 0.00 0.00 -0.205 F ATOM 26 C LIG 1 0.768 3.699 -0.135 0.00 0.00 +0.039 A ATOM 27 C LIG 1 0.655 2.308 -0.064 0.00 0.00 +0.010 A ENDBRANCH 19 20 BRANCH 19 28 ATOM 28 C LIG 1 2.474 -0.853 -0.188 0.00 0.00 +0.188 C ATOM 29 O LIG 1 2.492 -2.086 -0.112 0.00 0.00 -0.290 OA BRANCH 28 30 ATOM 30 C LIG 1 3.477 -0.220 -1.080 0.00 0.00 +0.020 A ATOM 31 C LIG 1 3.113 0.676 -2.088 0.00 0.00 +0.013 A ATOM 32 C LIG 1 4.097 1.248 -2.900 0.00 0.00 +0.020 A ATOM 33 C LIG 1 5.437 0.909 -2.711 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 6.645 1.618 -3.709 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 5.803 -0.007 -1.726 0.00 0.00 +0.020 A ATOM 36 C LIG 1 4.821 -0.580 -0.915 0.00 0.00 +0.013 A ENDBRANCH 28 30 ENDBRANCH 19 28 ENDBRANCH 2 19 TORSDOF 11