REMARK Name = BDB005306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.258 0.047 0.657 0.00 0.00 +0.146 A ATOM 2 N LIG 1 1.347 0.234 -0.386 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.138 0.379 0.217 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.272 0.610 -0.142 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -1.878 0.586 1.226 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -0.906 0.462 2.258 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.042 0.529 3.468 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.342 0.292 1.555 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.645 0.073 1.841 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.267 0.819 1.444 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.012 0.159 2.446 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.473 -0.942 3.321 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.372 0.490 2.630 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.008 1.415 1.806 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.289 2.019 0.787 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.064 3.151 -0.253 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.937 1.727 0.604 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 1 19 ATOM 18 C LIG 1 4.599 0.903 0.444 0.00 0.00 +0.131 A ATOM 19 C LIG 1 3.696 -0.167 0.511 0.00 0.00 +0.059 A ATOM 20 C LIG 1 4.200 -1.475 0.507 0.00 0.00 +0.015 A ATOM 21 C LIG 1 5.572 -1.707 0.378 0.00 0.00 +0.001 A ATOM 22 C LIG 1 6.454 -0.633 0.261 0.00 0.00 +0.004 A ATOM 23 C LIG 1 5.969 0.674 0.292 0.00 0.00 +0.046 A BRANCH 18 25 ATOM 24 C LIG 1 4.159 2.710 1.784 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.157 2.203 0.447 0.00 0.00 -0.494 OA ENDBRANCH 18 25 ENDBRANCH 1 19 BRANCH 4 26 ATOM 26 C LIG 1 -1.850 -0.450 -1.062 0.00 0.00 -0.021 A ATOM 27 C LIG 1 -2.380 -0.081 -2.310 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -2.915 -1.043 -3.171 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -2.930 -2.390 -2.798 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -2.408 -2.770 -1.560 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -1.873 -1.808 -0.699 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 C LIG 1 -3.478 -3.376 -3.683 0.00 0.00 +0.099 C ATOM 33 N LIG 1 -3.916 -4.172 -4.405 0.00 0.00 -0.191 NA ENDBRANCH 29 32 ENDBRANCH 4 26 BRANCH 2 34 ATOM 34 C LIG 1 1.569 0.235 -1.827 0.00 0.00 +0.083 C ATOM 35 C LIG 1 2.529 1.317 -2.315 0.00 0.00 +0.030 C ATOM 36 C LIG 1 1.944 -1.145 -2.365 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 6