REMARK  Name = BDB064526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.740  -1.150  -0.437  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        3.913  -0.540   0.048  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        4.096   0.447   1.012  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        5.363   0.763   1.076  0.00  0.00    -0.192 NA
ATOM      5  C   LIG    1        5.978  -0.089   0.188  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        5.130  -0.921  -0.436  0.00  0.00    -0.139 NA
ATOM      7  O   LIG    1        2.849  -2.168  -1.123  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        7.432  -0.088  -0.038  0.00  0.00    +0.110 A 
ATOM      9  N   LIG    1        8.170   0.809   0.671  0.00  0.00    -0.250 NA
ATOM     10  C   LIG    1        9.509   0.814   0.465  0.00  0.00    +0.131 A 
ATOM     11  C   LIG    1       10.159  -0.035  -0.416  0.00  0.00    +0.059 A 
ATOM     12 CL   LIG    1       11.861   0.035  -0.618  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1        9.397  -0.947  -1.134  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        8.014  -0.976  -0.945  0.00  0.00    +0.033 A 
ENDBRANCH   5   8
BRANCH   1  18
ATOM     15  C   LIG    1       -1.294   0.171   0.328  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -0.306   1.067  -0.121  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        1.007   0.658  -0.380  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        1.366  -0.672  -0.172  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        0.402  -1.591   0.245  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -0.908  -1.166   0.499  0.00  0.00    +0.024 A 
BRANCH  15  24
ATOM     21  N   LIG    1       -5.365   0.043  -0.390  0.00  0.00    -0.297 NA
ATOM     22  C   LIG    1       -4.755   1.388  -0.451  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.211   1.354  -0.558  0.00  0.00    +0.120 C 
ATOM     24  N   LIG    1       -2.586   0.639   0.582  0.00  0.00    -0.327 N 
ATOM     25  C   LIG    1       -3.531  -0.143   1.396  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -4.598  -0.844   0.524  0.00  0.00    +0.103 C 
BRANCH  21  28
ATOM     27  C   LIG    1       -7.419  -1.331  -0.470  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -6.817   0.040  -0.117  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -7.596   1.103  -0.910  0.00  0.00    +0.024 C 
ENDBRANCH  21  28
ENDBRANCH  15  24
ENDBRANCH   1  18
BRANCH   3  30
ATOM     30  N   LIG    1        3.140   0.993   1.794  0.00  0.00    -0.327 N 
ATOM     31  H   LIG    1        3.510   1.564   2.554  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1        2.348   0.439   2.107  0.00  0.00    +0.145 HD
ENDBRANCH   3  30
TORSDOF 5