REMARK Name = BDB060009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.636 -0.390 -0.623 0.00 0.00 +0.075 C ATOM 2 C LIG 1 -2.261 0.895 -0.037 0.00 0.00 +0.098 C ATOM 3 C LIG 1 -3.369 0.727 0.985 0.00 0.00 -0.009 A ATOM 4 C LIG 1 -4.509 1.393 0.524 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -5.687 1.447 1.238 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -5.710 0.795 2.469 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -4.580 0.111 2.951 0.00 0.00 +0.020 A ATOM 8 CL LIG 1 -7.148 0.821 3.416 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -4.268 1.946 -0.722 0.00 0.00 -0.284 N ATOM 10 H LIG 1 -4.935 2.453 -1.286 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -3.396 0.072 2.206 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -2.983 1.664 -1.167 0.00 0.00 +0.230 C ATOM 13 O LIG 1 -2.538 1.955 -2.265 0.00 0.00 -0.274 OA ATOM 14 C LIG 1 -1.010 1.653 0.463 0.00 0.00 +0.069 C ATOM 15 C LIG 1 -0.116 0.511 0.990 0.00 0.00 +0.150 C ATOM 16 N LIG 1 -0.536 -0.752 0.296 0.00 0.00 -0.301 NA ATOM 17 H LIG 1 -0.877 -1.408 1.001 0.00 0.00 +0.123 HD ENDROOT BRANCH 14 18 ATOM 18 C LIG 1 -1.260 2.835 1.393 0.00 0.00 -0.004 A ATOM 19 C LIG 1 -1.614 4.075 0.832 0.00 0.00 +0.145 A ATOM 20 F LIG 1 -1.699 4.184 -0.503 0.00 0.00 -0.204 F ATOM 21 C LIG 1 -1.880 5.192 1.626 0.00 0.00 +0.076 A ATOM 22 CL LIG 1 -2.327 6.693 0.910 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 -1.791 5.096 3.010 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -1.436 3.881 3.591 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -1.173 2.762 2.792 0.00 0.00 +0.007 A ENDBRANCH 14 18 BRANCH 15 26 ATOM 26 C LIG 1 1.369 0.800 0.714 0.00 0.00 +0.231 C ATOM 27 N LIG 1 1.833 0.258 -0.463 0.00 0.00 -0.313 N ATOM 28 H LIG 1 1.236 -0.464 -0.861 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 2.050 1.489 1.468 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 3.221 0.347 -0.872 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 C LIG 1 4.118 -0.653 -0.117 0.00 0.00 +0.103 C BRANCH 31 32 ATOM 32 N LIG 1 5.532 -0.620 -0.536 0.00 0.00 -0.297 NA ATOM 33 C LIG 1 6.361 -1.392 0.417 0.00 0.00 +0.112 C ATOM 34 C LIG 1 7.834 -1.433 -0.018 0.00 0.00 +0.175 C ATOM 35 O LIG 1 7.970 -2.002 -1.327 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 7.218 -1.230 -2.271 0.00 0.00 +0.175 C ATOM 37 C LIG 1 5.728 -1.180 -1.891 0.00 0.00 +0.112 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 15 26 BRANCH 1 38 ATOM 38 C LIG 1 -2.626 -1.549 -0.876 0.00 0.00 +0.026 C BRANCH 38 40 ATOM 39 C LIG 1 -0.966 -3.503 -1.098 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -2.136 -2.745 -1.745 0.00 0.00 -0.036 C ATOM 41 C LIG 1 -3.317 -3.728 -1.895 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -1.718 -2.279 -3.150 0.00 0.00 +0.010 C ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 7