REMARK Name = BDB010390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.770 0.690 0.392 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.550 1.340 0.212 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.323 2.558 0.838 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.908 3.061 0.549 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.456 2.189 -0.257 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.210 3.187 1.625 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.357 2.505 1.730 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.611 1.120 -0.498 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.674 1.327 1.164 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.676 2.275 -0.845 0.00 0.00 -0.293 N ATOM 11 C LIG 1 3.848 2.292 0.071 0.00 0.00 +0.185 C ATOM 12 C LIG 1 3.951 3.415 1.109 0.00 0.00 +0.287 C ATOM 13 F LIG 1 3.236 3.091 2.223 0.00 0.00 -0.201 F ATOM 14 F LIG 1 5.257 3.442 1.533 0.00 0.00 -0.201 F ATOM 15 C LIG 1 3.579 4.823 0.652 0.00 0.00 +0.236 C ATOM 16 O LIG 1 3.824 5.091 -0.736 0.00 0.00 -0.372 OA ATOM 17 C LIG 1 2.728 4.704 -1.571 0.00 0.00 +0.179 C ATOM 18 C LIG 1 2.787 3.225 -1.972 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 7 19 ATOM 19 C LIG 1 -3.389 3.137 2.583 0.00 0.00 +0.220 A ATOM 20 N LIG 1 -3.120 4.312 3.176 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -2.266 4.843 3.115 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -4.207 4.652 3.880 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -4.339 5.660 4.555 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -5.155 3.672 3.715 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -4.572 2.688 2.851 0.00 0.00 -0.051 NA ENDBRANCH 7 19 BRANCH 1 26 ATOM 26 N LIG 1 -2.085 -0.535 -0.179 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -1.292 -1.156 -0.257 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 -3.048 -1.946 1.579 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -3.311 -1.215 0.262 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 -3.765 -2.158 -0.863 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -2.971 -3.450 -1.209 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.319 -4.076 -1.622 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -4.998 -3.084 -0.653 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 0.899 0.040 -1.426 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 1.911 -1.006 -0.912 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.313 -1.935 -2.076 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.891 -3.250 -1.567 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.842 -4.055 -0.781 0.00 0.00 -0.014 C ATOM 39 C LIG 1 2.531 -5.009 0.196 0.00 0.00 +0.007 C ATOM 40 C LIG 1 0.825 -3.151 -0.063 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.421 -1.799 0.317 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 7