REMARK  Name = BDB036179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.138   1.136  -0.232  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        1.010   2.047  -0.424  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.217   1.463  -1.197  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.656   0.155  -0.662  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1        1.767  -0.437   0.358  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.299  -0.273  -0.094  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.022   0.008  -0.390  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        4.796   0.734   0.533  0.00  0.00    +0.151 A 
ATOM      9 CL   LIG    1        4.147   1.974   1.538  0.00  0.00    -0.060 Cl
ATOM     10  N   LIG    1        6.117   0.550   0.765  0.00  0.00    -0.229 NA
ATOM     11  C   LIG    1        6.720  -0.424   0.035  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        6.063  -1.211  -0.898  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.703  -0.988  -1.104  0.00  0.00    +0.028 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.183  -0.632   0.290  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.726   0.236   1.214  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.073   0.853   1.689  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       10.080   0.114   1.682  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.812  -1.513  -0.283  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.153   1.306  -1.281  0.00  0.00    +0.121 C 
BRANCH  19  28
ATOM     20  C   LIG    1       -6.881  -1.165   0.733  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -6.649  -0.002   1.668  0.00  0.00    +0.182 C 
ATOM     22  O   LIG    1       -7.386   0.148   2.635  0.00  0.00    -0.290 OA
ATOM     23  C   LIG    1       -5.548   0.948   1.313  0.00  0.00    +0.119 C 
ATOM     24  C   LIG    1       -4.573   0.424   0.294  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.875  -0.752  -0.402  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -3.980  -1.237  -1.357  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -2.789  -0.568  -1.630  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -2.466   0.618  -0.956  0.00  0.00    -0.015 A 
ATOM     29  C   LIG    1       -3.373   1.113   0.003  0.00  0.00    +0.051 A 
ATOM     30 CL   LIG    1       -3.032   2.605   0.828  0.00  0.00    -0.083 Cl
ATOM     31  N   LIG    1       -6.053  -1.483  -0.211  0.00  0.00    -0.248 NA
BRANCH  20  33
ATOM     32  C   LIG    1       -9.327  -1.237   0.275  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -8.154  -1.958   0.912  0.00  0.00    +0.055 C 
ENDBRANCH  20  33
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 5