REMARK Name = BDB054816 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.742 0.915 0.611 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.149 1.917 1.486 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.701 3.174 1.353 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.037 1.630 2.517 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.550 0.336 2.651 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.186 -0.675 1.747 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.265 -0.379 0.732 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 6.280 2.257 1.077 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.743 1.678 0.136 0.00 0.00 +0.247 C ATOM 10 N LIG 1 4.361 1.603 -0.023 0.00 0.00 -0.295 N ATOM 11 C LIG 1 3.696 1.257 -1.290 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.317 1.916 -1.436 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.449 1.630 -0.290 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.145 1.211 -0.526 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.319 1.019 -1.649 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.099 1.624 1.031 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.520 2.201 1.016 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 6.616 1.033 -0.872 0.00 0.00 +0.037 A ATOM 19 C LIG 1 7.641 1.785 -1.456 0.00 0.00 +0.013 A ATOM 20 C LIG 1 8.486 1.192 -2.394 0.00 0.00 +0.001 A ATOM 21 C LIG 1 8.319 -0.151 -2.732 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.314 -0.910 -2.128 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.464 -0.322 -1.191 0.00 0.00 +0.013 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 -2.776 -2.064 1.863 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 -4.298 -2.077 1.763 0.00 0.00 +0.087 A ATOM 26 C LIG 1 -4.937 -2.009 0.403 0.00 0.00 +0.059 A ATOM 27 N LIG 1 -4.172 -1.904 -0.752 0.00 0.00 -0.342 N ATOM 28 H LIG 1 -3.371 -1.280 -0.665 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 -4.788 -1.899 -2.076 0.00 0.00 +0.102 C ATOM 30 C LIG 1 -6.180 -1.281 -2.015 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -7.031 -1.941 -0.922 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -6.277 -2.061 0.373 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -7.053 -2.165 1.628 0.00 0.00 +0.270 A ATOM 34 O LIG 1 -8.280 -2.215 1.630 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -6.322 -2.187 2.786 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -6.838 -2.260 3.657 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -4.964 -2.152 2.878 0.00 0.00 -0.174 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4