REMARK  Name = BDB003769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.974  -3.185   3.305  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.671  -2.324   2.349  0.00  0.00    -0.307 N 
ATOM      3  C   LIG    1       -2.871  -1.487   1.509  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -3.261  -0.245   1.011  0.00  0.00    +0.163 A 
ATOM      5  N   LIG    1       -2.391   0.555   0.334  0.00  0.00    -0.195 NA
ATOM      6  C   LIG    1       -1.139   0.137   0.110  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -0.689  -1.046   0.526  0.00  0.00    -0.220 NA
ATOM      8  N   LIG    1       -4.572   0.254   1.234  0.00  0.00    -0.326 N 
ATOM      9  C   LIG    1       -4.654   1.711   1.085  0.00  0.00    +0.151 C 
ATOM     10  C   LIG    1       -5.683  -0.504   0.804  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -5.897  -1.805   1.278  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1       -7.004  -2.556   0.832  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -7.897  -2.037  -0.101  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.699  -0.755  -0.583  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.611  -0.000  -0.134  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -1.556  -1.817   1.216  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -5.069  -2.429   2.336  0.00  0.00    +0.261 A 
ATOM     18  O   LIG    1       -5.673  -3.147   3.145  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   6  19
ATOM     19  N   LIG    1       -0.322   1.044  -0.557  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -0.853   1.879  -0.764  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.004   1.011  -0.997  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        1.610   2.214  -1.378  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        2.954   2.258  -1.768  0.00  0.00    +0.084 A 
ATOM     24 CL   LIG    1        3.626   3.796  -2.201  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        3.733   1.097  -1.771  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1        3.135  -0.110  -1.418  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        1.789  -0.147  -1.022  0.00  0.00    +0.027 A 
BRANCH  25  28
ATOM     28  O   LIG    1        5.042   1.207  -2.155  0.00  0.00    -0.484 OA
BRANCH  28  29
ATOM     29  C   LIG    1        5.957   0.306  -1.517  0.00  0.00    +0.284 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.330   0.938  -1.419  0.00  0.00    +0.078 A 
ATOM     31  N   LIG    1        8.402   0.149  -1.705  0.00  0.00    -0.256 NA
ATOM     32  C   LIG    1        9.629   0.695  -1.553  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        9.850   1.990  -1.114  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        8.748   2.784  -0.825  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        7.471   2.251  -0.968  0.00  0.00    +0.027 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5