REMARK  Name = BDB003766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.324   2.636  -1.427  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -5.091   1.340  -0.790  0.00  0.00    -0.307 N 
ATOM      3  C   LIG    1       -3.744   1.014  -0.429  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -3.371   0.175   0.620  0.00  0.00    +0.163 A 
ATOM      5  N   LIG    1       -2.067   0.012   0.974  0.00  0.00    -0.195 NA
ATOM      6  C   LIG    1       -1.108   0.645   0.285  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -1.373   1.456  -0.736  0.00  0.00    -0.220 NA
ATOM      8  N   LIG    1       -4.346  -0.516   1.385  0.00  0.00    -0.326 N 
ATOM      9  C   LIG    1       -3.844  -0.932   2.699  0.00  0.00    +0.151 C 
ATOM     10  C   LIG    1       -5.255  -1.379   0.742  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -6.113  -0.902  -0.257  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1       -7.013  -1.774  -0.906  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -7.059  -3.127  -0.585  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.213  -3.618   0.398  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.327  -2.755   1.052  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -2.670   1.625  -1.059  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -6.220   0.530  -0.618  0.00  0.00    +0.261 A 
ATOM     18  O   LIG    1       -7.357   0.939  -0.872  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   6  19
ATOM     19  N   LIG    1        0.189   0.398   0.722  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        0.157  -0.254   1.491  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.456   0.798   0.285  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        2.582   0.357   0.998  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        3.882   0.729   0.627  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        4.084   1.562  -0.468  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        2.975   2.002  -1.189  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        1.678   1.631  -0.813  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  O   LIG    1        5.288   1.992  -0.949  0.00  0.00    -0.487 OA
BRANCH  27  28
ATOM     28  C   LIG    1        6.445   1.827  -0.127  0.00  0.00    +0.264 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.115   0.480  -0.294  0.00  0.00    -0.009 A 
ATOM     30  C   LIG    1        7.060  -0.217  -1.511  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1        7.708  -1.444  -1.649  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        7.624  -2.292  -3.144  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        8.427  -1.987  -0.587  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        8.502  -1.297   0.622  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1        7.855  -0.068   0.766  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5