REMARK Name = BDB035504 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.295 -1.117 0.377 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.001 -1.478 0.761 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.416 -2.042 1.757 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.904 -1.036 -0.310 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.278 -1.167 -0.392 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.920 -0.671 -1.536 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.156 -0.040 -2.547 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.757 0.093 -2.443 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.149 -0.426 -1.304 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.293 -0.444 -0.915 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.951 -1.147 1.290 0.00 0.00 -0.002 A ATOM 12 C LIG 1 -2.733 -0.901 0.618 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.496 -1.378 1.095 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.498 -2.119 2.280 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.688 -2.400 2.953 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.900 -1.928 2.459 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.310 -0.625 0.787 0.00 0.00 +0.176 C BRANCH 17 20 ATOM 18 C LIG 1 -4.739 2.427 -0.096 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.029 1.303 -0.945 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -5.263 -0.010 -0.606 0.00 0.00 +0.174 A ATOM 21 N LIG 1 -5.415 -0.699 -1.728 0.00 0.00 -0.131 NA ATOM 22 N LIG 1 -5.296 0.160 -2.789 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.074 1.357 -2.307 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.079 0.258 1.787 0.00 0.00 -0.004 A ATOM 25 C LIG 1 -5.442 0.964 2.827 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -6.171 1.780 3.697 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -7.548 1.914 3.542 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -8.200 1.232 2.521 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -7.474 0.414 1.653 0.00 0.00 +0.007 A ENDBRANCH 17 24 BRANCH 17 30 ATOM 30 O LIG 1 -6.104 -1.825 0.636 0.00 0.00 -0.372 OA ATOM 31 H LIG 1 -5.980 -2.107 -0.290 0.00 0.00 +0.212 HD ENDBRANCH 17 30 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 0.945 0.755 -3.524 0.00 0.00 +0.418 C ATOM 33 F LIG 1 0.102 1.703 -3.028 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.698 1.382 -4.468 0.00 0.00 -0.166 F ATOM 35 F LIG 1 0.158 -0.130 -4.191 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.424 -0.777 -1.662 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.066 0.328 -0.954 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.762 1.210 -1.363 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.526 0.177 -0.878 0.00 0.00 +0.017 C ATOM 40 C LIG 1 7.890 -0.911 0.172 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.886 0.098 0.780 0.00 0.00 +0.004 C ATOM 42 C LIG 1 8.030 1.223 0.161 0.00 0.00 +0.022 C ATOM 43 C LIG 1 8.245 0.185 -2.214 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9