REMARK  Name = BDB008640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.346  -0.495   0.665  0.00  0.00    -0.345 N 
ATOM      2  C   LIG    1        2.269   0.274   0.273  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        2.413   1.524   0.879  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1        1.435   2.495   0.645  0.00  0.00    +0.122 A 
ATOM      5  N   LIG    1        0.370   2.226  -0.150  0.00  0.00    -0.257 NA
ATOM      6  C   LIG    1        0.244   1.005  -0.737  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        3.610   1.479   1.643  0.00  0.00    +0.068 A 
ATOM      8 CL   LIG    1        4.240   2.752   2.575  0.00  0.00    -0.081 Cl
ATOM      9  C   LIG    1        1.177  -0.015  -0.553  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        4.160   0.227   1.500  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.013   0.807  -1.589  0.00  0.00    +0.122 C 
ATOM     12  C   LIG    1       -0.862  -0.122  -2.800  0.00  0.00    +0.035 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.199   0.482  -0.758  0.00  0.00    -0.288 N 
ATOM     14  C   LIG    1       -2.203  -0.707  -0.026  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -1.390  -1.614  -0.249  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.168  -0.872   1.173  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -4.549  -0.616   0.925  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -5.252  -0.116   2.070  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -4.723  -0.699   3.386  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -3.323  -0.326   3.645  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -2.872  -1.079   4.166  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -2.596  -0.090   2.379  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -3.189   1.528  -0.616  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -4.599   1.356  -1.125  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -3.691   2.320  -1.806  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   6  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.586  -1.877   0.280  0.00  0.00    +0.124 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.141  -2.030  -1.134  0.00  0.00    +0.049 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.533  -1.421  -1.293  0.00  0.00    +0.161 C 
BRANCH  28  30
ATOM     29  C   LIG    1        5.647  -0.907  -3.612  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        6.091  -1.759  -2.563  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8