REMARK  Name = BDB029345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.644  -2.335   1.697  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.210  -2.600   0.384  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.094  -3.263  -0.627  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1        1.089  -2.226   0.084  0.00  0.00    +0.172 A 
ATOM      5  O   LIG    1        1.701  -2.369  -1.127  0.00  0.00    -0.447 OA
ATOM      6  C   LIG    1        3.033  -1.851  -0.855  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        3.138  -1.322   0.485  0.00  0.00    -0.446 OA
ATOM      8  C   LIG    1        3.989  -3.054  -0.947  0.00  0.00    +0.105 C 
ATOM      9  C   LIG    1        1.916  -1.624   1.009  0.00  0.00    +0.185 A 
ATOM     10  C   LIG    1        1.491  -1.363   2.297  0.00  0.00    +0.087 A 
ATOM     11 CL   LIG    1        2.515  -0.592   3.442  0.00  0.00    -0.080 Cl
ATOM     12  C   LIG    1        0.192  -1.725   2.651  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        3.373  -0.758  -1.923  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1        4.785  -0.145  -1.785  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1        4.885   0.974  -0.746  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        3.875   2.115  -1.004  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1        2.472   1.468  -0.972  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        2.314   0.364  -2.021  0.00  0.00    +0.012 C 
BRANCH  16  19
ATOM     19  N   LIG    1        4.140   2.857  -2.269  0.00  0.00    -0.305 NA
ATOM     20  C   LIG    1        5.485   3.446  -2.295  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        3.160   3.929  -2.494  0.00  0.00    +0.104 C 
ENDBRANCH  16  19
ENDBRANCH   6  13
BRANCH   1  24
ATOM     22  N   LIG    1       -2.856  -1.566   2.142  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1       -2.479  -0.647   1.935  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -2.024  -2.660   2.103  0.00  0.00    +0.245 C 
ATOM     25  O   LIG    1       -2.336  -3.816   2.354  0.00  0.00    -0.270 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -4.265  -1.683   2.459  0.00  0.00    +0.145 C 
BRANCH  26  33
ATOM     27  C   LIG    1       -7.259   2.069  -0.836  0.00  0.00    +0.063 C 
ATOM     28  C   LIG    1       -6.481   1.180   0.088  0.00  0.00    +0.016 A 
ATOM     29  N   LIG    1       -6.481  -0.162  -0.195  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1       -6.995  -0.514  -0.994  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -5.803  -1.113   0.524  0.00  0.00    +0.254 A 
ATOM     32  O   LIG    1       -5.849  -2.295   0.199  0.00  0.00    -0.268 OA
ATOM     33  C   LIG    1       -5.014  -0.623   1.704  0.00  0.00    +0.037 A 
ATOM     34  C   LIG    1       -5.041   0.698   1.993  0.00  0.00    -0.039 A 
ATOM     35  C   LIG    1       -4.323   1.347   3.145  0.00  0.00    +0.044 C 
ATOM     36  C   LIG    1       -5.787   1.620   1.149  0.00  0.00    +0.024 A 
ENDBRANCH  26  33
ENDBRANCH  22  26
ENDBRANCH   1  24
TORSDOF 5