REMARK  Name = BDB040597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.143   0.530   2.907  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.288  -0.118   2.173  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        1.093  -1.317   1.477  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.143  -1.916   0.771  0.00  0.00    +0.045 A 
ATOM      5 CL   LIG    1        1.787  -3.393  -0.056  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.423  -1.328   0.738  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        3.601  -0.116   1.432  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        2.550   0.480   2.137  0.00  0.00    +0.005 A 
BRANCH   6   9
ATOM      9  C   LIG    1        4.568  -1.964  -0.046  0.00  0.00    +0.107 C 
ATOM     10  C   LIG    1        5.955  -1.639   0.500  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        6.377  -2.093   1.562  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.713  -0.742  -0.214  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        7.608  -0.508   0.195  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.313   0.054  -1.256  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.012   0.987  -1.643  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.949  -0.224  -1.836  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        4.506  -1.650  -1.547  0.00  0.00    +0.027 C 
ENDBRANCH   6   9
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  C   LIG    1       -1.809   0.814   1.415  0.00  0.00    +0.228 C 
ATOM     19  N   LIG    1       -0.657   1.320   1.997  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -0.239   2.165   1.637  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.249  -0.287   1.740  0.00  0.00    -0.275 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -1.484   2.031  -0.780  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -2.468   1.734   0.365  0.00  0.00    +0.117 C 
ATOM     24  C   LIG    1       -2.881   3.057   1.035  0.00  0.00    +0.030 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.683   1.036  -0.183  0.00  0.00    +0.211 A 
ATOM     26  O   LIG    1       -3.461  -0.048  -0.999  0.00  0.00    -0.439 OA
ATOM     27  C   LIG    1       -4.712  -0.458  -1.353  0.00  0.00    +0.155 A 
ATOM     28  C   LIG    1       -5.622   0.404  -0.764  0.00  0.00    +0.110 A 
ATOM     29  C   LIG    1       -6.990   0.196  -0.983  0.00  0.00    +0.031 A 
ATOM     30  C   LIG    1       -7.374  -0.885  -1.792  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.419  -1.734  -2.368  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.048  -1.537  -2.159  0.00  0.00    +0.048 A 
ATOM     33  N   LIG    1       -4.958   1.360  -0.038  0.00  0.00    -0.212 NA
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH   1  19
TORSDOF 5