REMARK Name = BDB005150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.289 -0.166 -2.955 0.00 0.00 +0.098 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.775 -0.297 -3.108 0.00 0.00 -0.048 C ATOM 3 C LIG 1 -0.310 -0.785 -4.470 0.00 0.00 +0.037 C ATOM 4 C LIG 1 1.139 -0.414 -4.819 0.00 0.00 +0.033 C ATOM 5 C LIG 1 2.047 -0.345 -3.629 0.00 0.00 -0.003 C ATOM 6 C LIG 1 1.584 -0.175 -2.382 0.00 0.00 +0.030 C ATOM 7 C LIG 1 0.153 -0.010 -2.171 0.00 0.00 +0.024 C BRANCH 6 8 ATOM 8 N LIG 1 2.365 -0.127 -1.247 0.00 0.00 -0.282 N ATOM 9 H LIG 1 1.854 -0.012 -0.382 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 3.745 -0.170 -1.147 0.00 0.00 +0.248 C ATOM 11 O LIG 1 4.552 -0.159 -2.069 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 4.276 -0.192 0.245 0.00 0.00 +0.040 A ATOM 13 C LIG 1 3.616 -0.867 1.274 0.00 0.00 +0.055 A ATOM 14 C LIG 1 4.163 -0.859 2.555 0.00 0.00 +0.165 A ATOM 15 F LIG 1 3.507 -1.512 3.527 0.00 0.00 -0.202 F ATOM 16 C LIG 1 5.364 -0.199 2.841 0.00 0.00 +0.155 A ATOM 17 C LIG 1 6.029 0.459 1.804 0.00 0.00 +0.049 A ATOM 18 C LIG 1 5.489 0.458 0.512 0.00 0.00 +0.017 A BRANCH 16 19 ATOM 19 O LIG 1 5.785 -0.268 4.140 0.00 0.00 -0.492 OA ATOM 20 C LIG 1 7.013 0.372 4.462 0.00 0.00 +0.277 C ENDBRANCH 16 19 ENDBRANCH 10 12 ENDBRANCH 6 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 -4.572 -1.325 -3.078 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -3.057 -1.495 -3.106 0.00 0.00 +0.023 C ENDBRANCH 1 22 BRANCH 1 23 ATOM 23 N LIG 1 -2.691 0.640 -1.795 0.00 0.00 -0.322 N ATOM 24 H LIG 1 -2.232 1.546 -1.812 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.730 0.148 -0.485 0.00 0.00 +0.130 A ATOM 26 C LIG 1 -3.268 0.954 0.542 0.00 0.00 +0.041 A ATOM 27 C LIG 1 -3.251 0.419 1.846 0.00 0.00 +0.088 A ATOM 28 C LIG 1 -3.770 1.219 2.886 0.00 0.00 +0.063 A ATOM 29 C LIG 1 -4.298 2.500 2.633 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -4.327 3.009 1.345 0.00 0.00 +0.002 A ATOM 31 N LIG 1 -2.753 -0.817 2.068 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -2.298 -1.508 1.018 0.00 0.00 +0.223 A ATOM 33 C LIG 1 -3.818 2.240 0.308 0.00 0.00 +0.013 A ATOM 34 N LIG 1 -2.257 -1.080 -0.241 0.00 0.00 -0.220 NA BRANCH 28 35 ATOM 35 C LIG 1 -3.804 0.783 4.318 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -4.251 1.510 5.200 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -3.322 -0.451 4.636 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -2.954 -1.069 3.918 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -3.345 -0.755 5.598 0.00 0.00 +0.145 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 8