REMARK Name = BDB006185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.527 0.468 0.445 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -0.632 1.935 0.148 0.00 0.00 -0.252 N ATOM 3 C LIG 1 0.624 2.532 -0.126 0.00 0.00 +0.272 C ATOM 4 O LIG 1 0.889 3.689 -0.411 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 1.575 1.455 0.029 0.00 0.00 +0.153 A ATOM 6 N LIG 1 2.894 1.352 -0.078 0.00 0.00 -0.166 NA ATOM 7 N LIG 1 3.119 0.052 0.217 0.00 0.00 -0.266 N ATOM 8 C LIG 1 1.967 -0.667 0.520 0.00 0.00 +0.048 A ATOM 9 C LIG 1 0.951 0.255 0.361 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -2.572 -1.798 1.036 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.081 -1.446 -0.344 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -1.159 -0.410 -0.635 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -0.842 -0.174 -1.998 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -1.398 -0.933 -3.030 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.295 -1.944 -2.727 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -2.989 -2.884 -3.989 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.639 -2.196 -1.403 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -1.884 2.626 0.120 0.00 0.00 +0.074 A ATOM 19 C LIG 1 -3.031 2.116 0.750 0.00 0.00 +0.163 A ATOM 20 F LIG 1 -2.957 0.996 1.484 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -4.258 2.785 0.690 0.00 0.00 +0.078 A ATOM 22 CL LIG 1 -5.647 2.131 1.475 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 -4.370 3.990 0.005 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -3.246 4.525 -0.613 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -2.019 3.851 -0.553 0.00 0.00 +0.026 A ENDBRANCH 2 18 BRANCH 8 26 ATOM 26 C LIG 1 1.982 -2.119 0.915 0.00 0.00 +0.032 C ATOM 27 C LIG 1 1.172 -2.371 2.184 0.00 0.00 +0.014 C ATOM 28 C LIG 1 1.518 -3.016 -0.231 0.00 0.00 +0.014 C ENDBRANCH 8 26 BRANCH 7 29 ATOM 29 C LIG 1 4.493 -0.422 0.170 0.00 0.00 +0.158 C BRANCH 29 30 ATOM 30 C LIG 1 5.164 -0.419 1.535 0.00 0.00 +0.141 C BRANCH 30 31 ATOM 31 C LIG 1 5.534 0.931 1.977 0.00 0.00 +0.064 C ATOM 32 N LIG 1 5.872 1.971 2.362 0.00 0.00 -0.197 NA ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 6