REMARK Name = BDB019916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.363 -1.010 1.195 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.107 -2.014 0.337 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.484 -2.230 0.176 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.381 -1.420 0.891 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.926 -0.427 1.773 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.547 -0.231 1.918 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.987 -3.263 -0.740 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -1.961 -4.640 -0.454 0.00 0.00 +0.151 A ATOM 9 N LIG 1 -2.423 -5.576 -1.345 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -2.937 -5.147 -2.516 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -3.016 -3.817 -2.870 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.535 -2.870 -1.973 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 -1.403 -5.145 0.872 0.00 0.00 +0.435 C ATOM 14 F LIG 1 -0.057 -4.942 0.989 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -1.580 -6.485 1.072 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -1.967 -4.546 1.962 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 2.635 -1.054 0.317 0.00 0.00 -0.304 N ATOM 18 H LIG 1 2.216 -1.227 -0.583 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 1.817 -0.746 1.382 0.00 0.00 +0.245 C ATOM 20 O LIG 1 2.217 -0.249 2.429 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.036 -0.686 0.328 0.00 0.00 +0.107 C BRANCH 21 28 ATOM 22 C LIG 1 5.299 4.141 1.110 0.00 0.00 +0.047 C ATOM 23 C LIG 1 4.818 3.061 0.190 0.00 0.00 -0.015 A ATOM 24 C LIG 1 4.568 3.339 -1.154 0.00 0.00 +0.126 A ATOM 25 F LIG 1 4.738 4.584 -1.623 0.00 0.00 -0.205 F ATOM 26 C LIG 1 4.135 2.348 -2.027 0.00 0.00 +0.039 A ATOM 27 C LIG 1 3.958 1.044 -1.562 0.00 0.00 +0.008 A ATOM 28 C LIG 1 4.227 0.721 -0.221 0.00 0.00 -0.027 A ATOM 29 C LIG 1 4.652 1.746 0.645 0.00 0.00 +0.011 A ENDBRANCH 21 28 BRANCH 21 30 ATOM 30 C LIG 1 4.812 -1.700 -0.480 0.00 0.00 +0.014 C ATOM 31 C LIG 1 5.253 -2.995 0.160 0.00 0.00 +0.006 C ATOM 32 C LIG 1 6.274 -1.951 -0.195 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 33 ATOM 33 C LIG 1 -2.915 0.440 2.520 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 -3.283 1.601 1.739 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -4.357 1.621 0.841 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -5.177 0.661 0.590 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -5.848 1.001 -0.103 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -4.306 2.907 0.285 0.00 0.00 -0.314 N ATOM 39 C LIG 1 -3.183 3.576 0.744 0.00 0.00 +0.107 A ATOM 40 C LIG 1 -2.573 2.793 1.646 0.00 0.00 +0.107 A BRANCH 38 41 ATOM 41 C LIG 1 -4.952 3.264 -0.970 0.00 0.00 +0.090 C ATOM 42 C LIG 1 -5.534 4.635 -1.202 0.00 0.00 +0.027 C ATOM 43 C LIG 1 -6.444 3.452 -1.059 0.00 0.00 +0.027 C ENDBRANCH 38 41 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 9