REMARK Name = BDB011002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.651 1.651 0.565 0.00 0.00 -0.031 A ATOM 2 C LIG 1 2.742 1.424 1.627 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.432 1.136 1.214 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.085 1.093 -0.178 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.250 0.797 -0.235 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -0.665 0.652 1.074 0.00 0.00 -0.239 N ATOM 7 C LIG 1 1.930 1.306 -1.271 0.00 0.00 +0.066 A ATOM 8 N LIG 1 0.350 0.865 1.954 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 3.245 1.596 -0.817 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.966 0.303 1.544 0.00 0.00 +0.066 A ATOM 11 C LIG 1 -3.033 0.081 0.653 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -4.326 -0.282 1.100 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -4.486 -0.409 2.497 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.440 -0.188 3.393 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -2.183 0.169 2.919 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 C LIG 1 -5.572 -0.553 0.110 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -5.529 -0.041 -1.373 0.00 0.00 +0.024 C ATOM 18 C LIG 1 -6.203 1.268 -0.889 0.00 0.00 +0.005 C ATOM 19 C LIG 1 -6.791 0.435 0.276 0.00 0.00 +0.024 C BRANCH 16 20 ATOM 20 C LIG 1 -6.003 -2.071 0.190 0.00 0.00 +0.144 A ATOM 21 N LIG 1 -5.263 -3.168 -0.158 0.00 0.00 -0.320 N ATOM 22 C LIG 1 -3.925 -3.209 -0.680 0.00 0.00 +0.151 C ATOM 23 C LIG 1 -6.052 -4.248 0.095 0.00 0.00 +0.224 A ATOM 24 N LIG 1 -7.208 -3.845 0.564 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 -7.175 -2.474 0.635 0.00 0.00 -0.134 NA ENDBRANCH 16 20 BRANCH 18 26 ATOM 26 C LIG 1 -7.221 1.918 -1.818 0.00 0.00 +0.122 C BRANCH 26 27 ATOM 27 C LIG 1 -6.551 2.500 -2.989 0.00 0.00 +0.063 C ATOM 28 N LIG 1 -6.006 2.947 -3.910 0.00 0.00 -0.197 NA ENDBRANCH 26 27 ENDBRANCH 18 26 ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 7 29 ATOM 29 C LIG 1 1.564 1.262 -2.720 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.769 2.305 -3.088 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.638 1.300 -3.556 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.875 0.134 -3.056 0.00 0.00 -0.166 F ENDBRANCH 7 29 BRANCH 1 33 ATOM 33 C LIG 1 5.103 1.969 0.892 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 5.895 -1.846 -1.169 0.00 0.00 +0.009 C ATOM 35 C LIG 1 6.768 -1.306 -0.034 0.00 0.00 +0.000 C ATOM 36 C LIG 1 5.994 -0.309 0.855 0.00 0.00 +0.088 C ATOM 37 N LIG 1 6.045 1.032 0.265 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 7.415 1.574 0.298 0.00 0.00 +0.085 C ATOM 39 C LIG 1 8.512 0.504 0.216 0.00 0.00 +0.016 C ATOM 40 C LIG 1 8.059 -0.691 -0.611 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 8