REMARK Name = BDB009511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.894 -0.286 0.863 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.085 -1.032 2.023 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.307 -0.850 3.099 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.102 -1.979 2.088 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.951 -2.165 0.994 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.797 -1.393 -0.169 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.754 -0.457 -0.229 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 4.381 -0.106 1.256 0.00 0.00 +0.076 C ATOM 9 C LIG 1 3.701 1.147 1.825 0.00 0.00 +0.041 C ATOM 10 C LIG 1 2.449 1.520 1.042 0.00 0.00 +0.110 C ATOM 11 N LIG 1 1.476 0.432 1.022 0.00 0.00 -0.297 N ATOM 12 C LIG 1 0.143 0.758 0.783 0.00 0.00 +0.249 C ATOM 13 O LIG 1 -0.228 1.890 0.474 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.996 -0.937 1.107 0.00 0.00 +0.110 C ATOM 15 C LIG 1 3.399 -1.033 0.523 0.00 0.00 +0.041 C BRANCH 8 18 ATOM 16 O LIG 1 6.589 -1.752 0.614 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 6.509 -0.641 0.103 0.00 0.00 +0.244 C ATOM 18 N LIG 1 5.491 0.250 0.375 0.00 0.00 -0.308 N ATOM 19 H LIG 1 5.508 1.175 -0.031 0.00 0.00 +0.149 HD BRANCH 17 20 ATOM 20 C LIG 1 7.560 -0.185 -0.844 0.00 0.00 +0.040 A ATOM 21 C LIG 1 7.295 0.722 -1.870 0.00 0.00 +0.033 A ATOM 22 C LIG 1 8.342 1.077 -2.704 0.00 0.00 +0.111 A ATOM 23 N LIG 1 9.596 0.595 -2.581 0.00 0.00 -0.263 NA ATOM 24 C LIG 1 9.819 -0.296 -1.591 0.00 0.00 +0.111 A ATOM 25 C LIG 1 8.843 -0.717 -0.708 0.00 0.00 +0.033 A ENDBRANCH 17 20 ENDBRANCH 8 18 ENDBRANCH 1 12 BRANCH 6 26 ATOM 26 C LIG 1 -3.731 -1.573 -1.345 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -5.197 -1.367 -0.984 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -5.727 0.036 -0.872 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -4.899 1.138 -1.056 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -3.987 1.041 -0.613 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -5.430 2.497 -1.021 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -6.614 2.581 -0.062 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -7.662 1.508 -0.386 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -7.033 0.159 -0.589 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -7.875 -1.042 -0.403 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -9.076 -0.960 -0.168 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -7.232 -2.248 -0.499 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -7.795 -3.084 -0.378 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -5.916 -2.435 -0.795 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5