REMARK Name = BDB064093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.397 -0.553 2.109 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.015 -1.861 1.823 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.278 -2.218 1.819 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.973 -2.827 1.528 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.328 -2.486 1.524 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.733 -1.173 1.812 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.755 -0.213 2.124 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.406 1.081 3.534 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.599 0.467 2.487 0.00 0.00 +0.250 C ATOM 10 N LIG 1 1.703 0.696 1.668 0.00 0.00 -0.288 N ATOM 11 C LIG 1 2.673 1.689 2.144 0.00 0.00 +0.184 C ATOM 12 C LIG 1 3.975 1.542 1.436 0.00 0.00 +0.151 A ATOM 13 N LIG 1 5.100 2.183 1.667 0.00 0.00 -0.132 NA ATOM 14 N LIG 1 6.037 1.719 0.772 0.00 0.00 -0.129 NA ATOM 15 C LIG 1 5.475 0.797 0.014 0.00 0.00 +0.167 A ATOM 16 N LIG 1 4.163 0.693 0.374 0.00 0.00 -0.308 N ATOM 17 C LIG 1 3.108 -0.118 -0.186 0.00 0.00 +0.144 C ATOM 18 C LIG 1 1.737 0.408 0.231 0.00 0.00 +0.130 C BRANCH 15 19 ATOM 19 C LIG 1 6.264 0.013 -1.069 0.00 0.00 +0.057 A ATOM 20 C LIG 1 5.817 -1.000 -1.882 0.00 0.00 +0.206 A ATOM 21 O LIG 1 6.819 -1.430 -2.697 0.00 0.00 -0.470 OA ATOM 22 C LIG 1 7.917 -0.690 -2.396 0.00 0.00 +0.195 A ATOM 23 C LIG 1 7.629 0.210 -1.398 0.00 0.00 +0.052 A ENDBRANCH 15 19 ENDBRANCH 1 9 BRANCH 6 24 ATOM 24 C LIG 1 -4.200 -0.802 1.829 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -4.535 0.329 0.863 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -4.750 0.043 -0.579 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -5.020 1.131 -1.408 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -5.231 0.949 -2.781 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -5.173 -0.331 -3.327 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.905 -1.424 -2.504 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.085 2.481 -0.827 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -5.314 3.465 -1.521 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -4.875 2.566 0.527 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -4.916 3.489 0.948 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -4.694 -1.241 -1.133 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -4.600 1.529 1.362 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4