REMARK Name = BDB038443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.825 2.507 0.319 0.00 0.00 +0.121 A ATOM 2 N LIG 1 0.366 1.896 0.219 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.457 0.695 -0.379 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.677 0.058 -0.879 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.931 0.673 -0.767 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.983 1.939 -0.181 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.727 0.086 -0.478 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.903 0.617 0.053 0.00 0.00 +0.253 C ATOM 9 O LIG 1 3.123 1.615 0.712 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.982 -0.309 -0.316 0.00 0.00 +0.043 A ATOM 11 C LIG 1 5.332 -0.224 -0.024 0.00 0.00 +0.019 A ATOM 12 C LIG 1 6.172 -1.248 -0.481 0.00 0.00 -0.021 A ATOM 13 C LIG 1 5.621 -2.310 -1.240 0.00 0.00 +0.018 A ATOM 14 C LIG 1 4.244 -2.384 -1.529 0.00 0.00 +0.061 A ATOM 15 C LIG 1 3.437 -1.358 -1.048 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.963 -1.158 -1.183 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 3.660 -3.522 -2.320 0.00 0.00 +0.418 C ATOM 18 F LIG 1 3.017 -3.087 -3.440 0.00 0.00 -0.166 F ATOM 19 F LIG 1 4.569 -4.441 -2.737 0.00 0.00 -0.166 F ATOM 20 F LIG 1 2.722 -4.209 -1.609 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 7.654 -1.174 -0.210 0.00 0.00 +0.191 C BRANCH 21 22 ATOM 22 O LIG 1 8.187 -2.480 -0.036 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 9.127 -2.368 0.188 0.00 0.00 +0.210 HD ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 5 24 ATOM 24 C LIG 1 -3.159 0.001 -1.237 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -4.271 -0.246 -0.393 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -5.432 -0.844 -0.915 0.00 0.00 +0.031 A ATOM 27 C LIG 1 -5.498 -1.227 -2.257 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -4.402 -1.005 -3.091 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -3.249 -0.395 -2.587 0.00 0.00 +0.010 A BRANCH 25 30 ATOM 30 C LIG 1 -4.287 0.130 1.022 0.00 0.00 +0.164 A ATOM 31 N LIG 1 -3.522 -0.413 2.025 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -2.584 -1.500 1.948 0.00 0.00 +0.152 C ATOM 33 C LIG 1 -3.843 0.264 3.161 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -4.766 1.156 2.894 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -5.059 1.060 1.554 0.00 0.00 -0.129 NA ENDBRANCH 25 30 BRANCH 27 36 ATOM 36 C LIG 1 -6.683 -1.845 -2.775 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -7.634 -2.359 -3.198 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 5 24 BRANCH 1 38 ATOM 38 N LIG 1 -0.809 3.757 0.935 0.00 0.00 -0.329 N ATOM 39 H LIG 1 0.169 3.879 1.208 0.00 0.00 +0.147 HD BRANCH 38 41 ATOM 40 C LIG 1 -1.482 5.226 2.751 0.00 0.00 +0.024 C ATOM 41 C LIG 1 -1.717 3.886 2.071 0.00 0.00 +0.099 C ENDBRANCH 38 41 ENDBRANCH 1 38 TORSDOF 9