REMARK Name = BDB038541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.319 2.331 -0.924 0.00 0.00 +0.121 A ATOM 2 N LIG 1 0.797 1.707 -0.510 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.723 0.625 0.281 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.511 0.107 0.661 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.696 0.720 0.225 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.576 1.863 -0.569 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.925 0.020 0.707 0.00 0.00 -0.248 N ATOM 8 C LIG 1 3.202 0.470 0.365 0.00 0.00 +0.253 C ATOM 9 O LIG 1 3.584 1.395 -0.327 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.153 -0.432 1.029 0.00 0.00 +0.042 A ATOM 11 C LIG 1 5.535 -0.408 0.999 0.00 0.00 +0.013 A ATOM 12 C LIG 1 6.213 -1.389 1.723 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.502 -2.362 2.451 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.094 -2.375 2.472 0.00 0.00 +0.060 A ATOM 15 C LIG 1 3.436 -1.386 1.744 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.972 -1.139 1.575 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 3.322 -3.409 3.245 0.00 0.00 +0.418 C ATOM 18 F LIG 1 2.489 -4.128 2.442 0.00 0.00 -0.166 F ATOM 19 F LIG 1 4.101 -4.315 3.893 0.00 0.00 -0.166 F ATOM 20 F LIG 1 2.521 -2.848 4.193 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 -3.015 0.162 0.592 0.00 0.00 -0.006 A ATOM 22 C LIG 1 -4.023 -0.162 -0.351 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.264 -0.655 0.099 0.00 0.00 +0.013 A ATOM 24 C LIG 1 -5.516 -0.856 1.456 0.00 0.00 +0.019 A ATOM 25 C LIG 1 -4.533 -0.552 2.392 0.00 0.00 +0.052 A ATOM 26 C LIG 1 -3.299 -0.045 1.962 0.00 0.00 +0.028 A BRANCH 22 27 ATOM 27 C LIG 1 -3.882 0.033 -1.796 0.00 0.00 +0.164 A ATOM 28 N LIG 1 -2.953 -0.537 -2.633 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -1.935 -1.504 -2.329 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -3.208 -0.047 -3.879 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -4.255 0.740 -3.836 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 -4.687 0.780 -2.533 0.00 0.00 -0.129 NA ENDBRANCH 22 27 BRANCH 25 33 ATOM 33 C LIG 1 -4.779 -0.749 3.791 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -4.964 -0.917 4.924 0.00 0.00 -0.191 NA ENDBRANCH 25 33 ENDBRANCH 5 21 BRANCH 1 35 ATOM 35 N LIG 1 -0.240 3.438 -1.784 0.00 0.00 -0.329 N ATOM 36 H LIG 1 -0.816 4.188 -1.411 0.00 0.00 +0.147 HD BRANCH 35 38 ATOM 37 C LIG 1 1.723 3.092 -3.230 0.00 0.00 +0.024 C ATOM 38 C LIG 1 1.111 3.903 -2.098 0.00 0.00 +0.099 C ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 7