REMARK  Name = BDB015100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.920  -0.579   1.786  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -4.098   0.826   0.709  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -3.013  -0.035   0.941  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.891   0.374   1.672  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.849   1.671   2.178  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -2.918   2.543   1.962  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -4.034   2.124   1.236  0.00  0.00    +0.009 A 
BRANCH   2   9
ATOM      8  C   LIG    1       -5.200  -0.006  -1.414  0.00  0.00    +0.128 A 
ATOM      9  C   LIG    1       -5.278   0.376  -0.053  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -6.527   0.319   0.595  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -7.664  -0.107  -0.087  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1       -9.178  -0.169   0.728  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -7.583  -0.482  -1.422  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -6.354  -0.432  -2.085  0.00  0.00    +0.047 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -3.837  -0.313  -3.357  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -3.962   0.085  -1.999  0.00  0.00    -0.495 OA
ENDBRANCH   8  16
ENDBRANCH   2   9
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        0.228  -0.334   2.603  0.00  0.00    +0.261 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.437   0.112   1.759  0.00  0.00    +0.166 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.208   1.438   1.264  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1        0.471   1.375   0.628  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        1.704  -0.875   0.591  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1        2.975  -0.761  -0.148  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.139  -1.155   0.660  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.455  -1.027  -0.081  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.569  -0.199  -1.212  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        6.803  -0.072  -1.862  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.926  -0.743  -1.378  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.822  -1.549  -0.247  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.347   0.498  -1.759  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.595  -1.689   0.401  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.199   0.562  -0.742  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8