REMARK Name = BDB036756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.253 -1.336 -0.321 0.00 0.00 +0.183 C ATOM 2 C LIG 1 -1.310 -2.461 -0.305 0.00 0.00 +0.235 C ATOM 3 O LIG 1 -2.125 -2.507 0.868 0.00 0.00 -0.357 OA ATOM 4 C LIG 1 -1.379 -2.546 2.097 0.00 0.00 +0.175 C ATOM 5 C LIG 1 -0.504 -1.293 2.219 0.00 0.00 +0.172 C ATOM 6 C LIG 1 0.474 -1.281 1.034 0.00 0.00 +0.171 C ENDROOT BRANCH 6 7 ATOM 7 N LIG 1 1.397 -0.153 1.089 0.00 0.00 -0.243 N ATOM 8 N LIG 1 0.973 1.071 1.455 0.00 0.00 -0.065 NA ATOM 9 N LIG 1 2.021 1.881 1.422 0.00 0.00 -0.129 NA ATOM 10 C LIG 1 3.116 1.157 1.023 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.735 -0.150 0.818 0.00 0.00 +0.139 A BRANCH 10 12 ATOM 12 C LIG 1 4.441 1.729 0.861 0.00 0.00 +0.009 A ATOM 13 C LIG 1 4.649 3.086 1.159 0.00 0.00 +0.051 A ATOM 14 C LIG 1 5.912 3.656 1.010 0.00 0.00 +0.162 A ATOM 15 F LIG 1 6.084 4.952 1.303 0.00 0.00 -0.202 F ATOM 16 C LIG 1 6.983 2.896 0.565 0.00 0.00 +0.193 A ATOM 17 F LIG 1 8.195 3.449 0.425 0.00 0.00 -0.199 F ATOM 18 C LIG 1 6.786 1.556 0.267 0.00 0.00 +0.162 A ATOM 19 F LIG 1 7.809 0.806 -0.164 0.00 0.00 -0.202 F ATOM 20 C LIG 1 5.529 0.967 0.410 0.00 0.00 +0.051 A ENDBRANCH 10 12 ENDBRANCH 6 7 BRANCH 2 21 ATOM 21 C LIG 1 -2.212 -2.443 -1.562 0.00 0.00 +0.247 C ATOM 22 N LIG 1 -3.161 -1.443 -1.768 0.00 0.00 -0.298 N ATOM 23 C LIG 1 -4.039 -1.593 -2.923 0.00 0.00 +0.132 C ATOM 24 O LIG 1 -2.058 -3.342 -2.399 0.00 0.00 -0.273 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.561 -0.416 -0.800 0.00 0.00 +0.142 C BRANCH 25 26 ATOM 26 C LIG 1 -2.916 0.940 -1.010 0.00 0.00 -0.029 A ATOM 27 C LIG 1 -2.362 1.349 -2.233 0.00 0.00 +0.025 A ATOM 28 C LIG 1 -1.768 2.606 -2.357 0.00 0.00 +0.041 A ATOM 29 CL LIG 1 -1.063 3.067 -3.858 0.00 0.00 -0.084 Cl ATOM 30 C LIG 1 -1.729 3.482 -1.277 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -2.294 3.101 -0.063 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -2.889 1.843 0.066 0.00 0.00 +0.005 A ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 2 21 BRANCH 1 34 ATOM 33 C LIG 1 0.636 -0.849 -2.490 0.00 0.00 +0.194 C ATOM 34 O LIG 1 0.752 -1.640 -1.312 0.00 0.00 -0.374 OA ENDBRANCH 1 34 BRANCH 5 35 ATOM 35 O LIG 1 -1.359 -0.141 2.229 0.00 0.00 -0.387 OA ATOM 36 H LIG 1 -0.782 0.654 2.205 0.00 0.00 +0.210 HD ENDBRANCH 5 35 BRANCH 4 37 ATOM 37 C LIG 1 -2.399 -2.646 3.236 0.00 0.00 +0.190 C BRANCH 37 38 ATOM 38 O LIG 1 -3.101 -3.886 3.132 0.00 0.00 -0.392 OA ATOM 39 H LIG 1 -3.462 -3.908 2.225 0.00 0.00 +0.210 HD ENDBRANCH 37 38 ENDBRANCH 4 37 TORSDOF 9