REMARK Name = BDB030357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.558 0.008 -0.389 0.00 0.00 -0.004 A ATOM 2 C LIG 1 0.428 1.392 -0.260 0.00 0.00 +0.164 A ATOM 3 F LIG 1 1.512 2.170 -0.399 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -0.803 1.984 0.027 0.00 0.00 +0.180 A ATOM 5 F LIG 1 -0.829 3.314 0.198 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -1.966 1.216 0.193 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -1.835 -0.186 0.042 0.00 0.00 +0.061 A ATOM 8 C LIG 1 -0.587 -0.781 -0.232 0.00 0.00 +0.021 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -3.024 -1.064 0.215 0.00 0.00 +0.246 C ATOM 10 N LIG 1 -3.126 -2.123 -0.666 0.00 0.00 -0.308 N ATOM 11 H LIG 1 -2.516 -2.157 -1.473 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 -3.846 -0.805 1.089 0.00 0.00 -0.270 OA BRANCH 10 13 ATOM 13 C LIG 1 -4.245 -3.014 -0.645 0.00 0.00 +0.076 C ATOM 14 C LIG 1 -4.194 -4.319 -1.398 0.00 0.00 +0.008 C ATOM 15 C LIG 1 -5.401 -4.812 -2.121 0.00 0.00 +0.009 C ATOM 16 C LIG 1 -4.164 -4.317 0.105 0.00 0.00 +0.027 C ENDBRANCH 10 13 ENDBRANCH 7 9 BRANCH 6 17 ATOM 17 N LIG 1 -3.239 1.779 0.439 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -3.860 1.154 0.970 0.00 0.00 +0.152 HD BRANCH 17 19 ATOM 19 C LIG 1 -3.829 3.022 0.150 0.00 0.00 +0.067 A ATOM 20 C LIG 1 -4.933 3.445 0.911 0.00 0.00 +0.145 A ATOM 21 F LIG 1 -5.411 2.641 1.875 0.00 0.00 -0.204 F ATOM 22 C LIG 1 -5.557 4.672 0.702 0.00 0.00 +0.054 A ATOM 23 C LIG 1 -5.074 5.513 -0.293 0.00 0.00 +0.016 A ATOM 24 I LIG 1 -5.983 7.349 -0.629 0.00 0.00 -0.044 I ATOM 25 C LIG 1 -3.981 5.126 -1.068 0.00 0.00 +0.016 A ATOM 26 C LIG 1 -3.365 3.888 -0.845 0.00 0.00 +0.027 A ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 1 27 ATOM 27 C LIG 1 1.906 -0.614 -0.665 0.00 0.00 +0.076 C BRANCH 27 31 ATOM 28 C LIG 1 5.132 -0.662 1.308 0.00 0.00 +0.175 A ATOM 29 C LIG 1 4.242 -0.605 0.240 0.00 0.00 +0.168 A ATOM 30 F LIG 1 4.683 -0.575 -1.027 0.00 0.00 -0.202 F ATOM 31 C LIG 1 2.869 -0.642 0.497 0.00 0.00 -0.003 A ATOM 32 C LIG 1 2.465 -0.776 1.831 0.00 0.00 +0.026 A ATOM 33 C LIG 1 3.433 -0.841 2.828 0.00 0.00 +0.113 A ATOM 34 N LIG 1 4.762 -0.796 2.596 0.00 0.00 -0.236 NA BRANCH 28 35 ATOM 35 N LIG 1 6.541 -0.624 1.162 0.00 0.00 -0.187 N ATOM 36 H LIG 1 6.936 -0.869 2.069 0.00 0.00 +0.176 HD BRANCH 35 37 ATOM 37 S LIG 1 7.122 0.897 0.778 0.00 0.00 +0.110 S ATOM 38 O LIG 1 7.206 1.674 1.989 0.00 0.00 -0.138 OA ATOM 39 O LIG 1 6.511 1.410 -0.421 0.00 0.00 -0.138 OA BRANCH 37 41 ATOM 40 C LIG 1 8.879 -0.287 -0.855 0.00 0.00 +0.129 C ATOM 41 N LIG 1 8.702 0.472 0.392 0.00 0.00 -0.180 NA ATOM 42 H LIG 1 9.271 1.320 0.412 0.00 0.00 +0.149 HD ENDBRANCH 37 41 ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 9