REMARK Name = BDB031378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.610 -1.262 0.339 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -0.284 -0.378 -0.806 0.00 0.00 +0.103 C ATOM 3 C LIG 1 1.198 0.063 -0.843 0.00 0.00 +0.120 C ATOM 4 N LIG 1 2.099 -1.111 -0.992 0.00 0.00 -0.324 N ATOM 5 C LIG 1 1.542 -2.374 -0.456 0.00 0.00 +0.120 C ATOM 6 C LIG 1 0.547 -2.119 0.698 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.438 -0.788 -0.701 0.00 0.00 +0.085 A ATOM 8 C LIG 1 4.168 -1.204 0.430 0.00 0.00 +0.235 A ATOM 9 F LIG 1 3.560 -1.947 1.370 0.00 0.00 -0.182 F ATOM 10 N LIG 1 5.457 -0.886 0.695 0.00 0.00 -0.213 NA ATOM 11 C LIG 1 6.075 -0.102 -0.222 0.00 0.00 +0.129 A ATOM 12 C LIG 1 5.465 0.378 -1.371 0.00 0.00 +0.035 A ATOM 13 C LIG 1 4.135 0.029 -1.603 0.00 0.00 +0.030 A BRANCH 11 14 ATOM 14 C LIG 1 7.503 0.247 0.067 0.00 0.00 +0.263 C ATOM 15 N LIG 1 8.003 -0.295 1.230 0.00 0.00 -0.305 N ATOM 16 H LIG 1 7.346 -0.803 1.820 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 8.161 0.969 -0.673 0.00 0.00 -0.269 OA BRANCH 15 18 ATOM 18 C LIG 1 9.349 -0.013 1.698 0.00 0.00 +0.176 C BRANCH 18 19 ATOM 19 C LIG 1 9.568 1.424 2.167 0.00 0.00 +0.358 C ATOM 20 F LIG 1 10.866 1.582 2.539 0.00 0.00 -0.208 F ATOM 21 F LIG 1 8.823 1.658 3.281 0.00 0.00 -0.208 F ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 11 14 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 -1.818 -2.064 0.096 0.00 0.00 +0.122 C BRANCH 22 33 ATOM 23 C LIG 1 -9.220 2.800 -1.748 0.00 0.00 +0.067 C ATOM 24 C LIG 1 -8.256 2.189 -0.801 0.00 0.00 +0.061 A ATOM 25 N LIG 1 -7.210 1.487 -1.260 0.00 0.00 -0.171 NA ATOM 26 N LIG 1 -6.564 1.095 -0.141 0.00 0.00 -0.225 N ATOM 27 C LIG 1 -7.166 1.528 1.008 0.00 0.00 +0.132 A ATOM 28 C LIG 1 -6.631 1.216 2.302 0.00 0.00 +0.275 A ATOM 29 N LIG 1 -5.481 0.457 2.286 0.00 0.00 -0.317 N ATOM 30 H LIG 1 -5.077 0.218 3.185 0.00 0.00 +0.169 HD ATOM 31 C LIG 1 -4.858 0.003 1.107 0.00 0.00 +0.104 A ATOM 32 C LIG 1 -3.701 -0.770 1.173 0.00 0.00 +0.153 A ATOM 33 C LIG 1 -3.077 -1.234 0.006 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -3.638 -0.905 -1.243 0.00 0.00 +0.010 A ATOM 35 C LIG 1 -4.798 -0.128 -1.322 0.00 0.00 +0.030 A ATOM 36 F LIG 1 -3.195 -1.086 2.376 0.00 0.00 -0.203 F ATOM 37 O LIG 1 -7.132 1.577 3.362 0.00 0.00 -0.266 OA ATOM 38 C LIG 1 -5.396 0.318 -0.143 0.00 0.00 +0.092 A ATOM 39 C LIG 1 -8.273 2.245 0.612 0.00 0.00 +0.058 A ENDBRANCH 22 33 ENDBRANCH 1 22 TORSDOF 6