REMARK  Name = BDB014336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.147   0.677  -1.646  0.00  0.00    -0.343 N 
ATOM      2  C   LIG    1        1.281   0.818  -0.864  0.00  0.00    +0.094 A 
ATOM      3  C   LIG    1        1.788   2.089  -1.141  0.00  0.00    +0.093 A 
ATOM      4  N   LIG    1        2.885   2.605  -0.549  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        3.444   1.773   0.344  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        3.041   0.536   0.680  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1        0.972   2.695  -2.118  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.949   0.024   0.071  0.00  0.00    +0.100 A 
ATOM      9  C   LIG    1       -0.027   1.802  -2.422  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        4.648   2.298   1.029  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1        5.092   3.529   0.725  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1        4.697   4.173   0.060  0.00  0.00    +0.174 HD
ATOM     13  C   LIG    1        6.177   3.749   1.478  0.00  0.00    +0.440 A 
ATOM     14  O   LIG    1        6.855   4.763   1.477  0.00  0.00    -0.221 OA
ATOM     15  O   LIG    1        6.399   2.639   2.254  0.00  0.00    -0.295 OA
ATOM     16  N   LIG    1        5.365   1.702   1.926  0.00  0.00    -0.051 NA
ENDBRANCH   5  10
BRANCH   8  17
ATOM     17  C   LIG    1        1.589  -1.329   0.458  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.911  -2.436  -0.339  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        1.549  -3.714   0.075  0.00  0.00    +0.060 A 
ATOM     20 CL   LIG    1        1.912  -5.079  -0.899  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        0.879  -3.857   1.279  0.00  0.00    +0.130 A 
ATOM     22  N   LIG    1        0.561  -2.818   2.087  0.00  0.00    -0.261 NA
ATOM     23  C   LIG    1        0.944  -1.587   1.667  0.00  0.00    +0.120 A 
ENDBRANCH   8  17
BRANCH   1  24
ATOM     24  C   LIG    1       -0.766  -0.457  -1.699  0.00  0.00    +0.125 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -3.579   0.058   2.330  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -4.154  -0.637   1.092  0.00  0.00    -0.014 C 
ATOM     27  C   LIG    1       -3.389  -1.933   0.764  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -2.486  -1.835  -0.469  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -1.789  -0.475  -0.551  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -2.822   0.663  -0.674  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -4.201   0.309  -0.111  0.00  0.00    +0.003 C 
ENDBRANCH  24  29
ENDBRANCH   1  24
TORSDOF 4