REMARK  Name = BDB062938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.678  -0.857   1.354  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -0.423  -0.164   2.034  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.642   0.314   1.584  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -2.265   1.085   2.328  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.057   0.096   3.424  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        1.282  -0.597   3.645  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.363  -1.603   2.501  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.261  -0.113   0.200  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -1.335   0.374  -0.947  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -1.088  -0.818  -1.871  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -2.097  -1.878  -1.471  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -2.317  -1.655   0.020  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.747   0.357   0.053  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -4.657   0.127   1.111  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -6.002   0.490   1.012  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -7.069   0.194   2.330  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -6.489   1.076  -0.149  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -5.624   1.289  -1.218  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.274   0.925  -1.122  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  21
ATOM     20  O   LIG    1        1.704   1.310   0.897  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        1.707   0.101   0.689  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1        2.606  -0.576  -0.128  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        2.502  -1.581  -0.194  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.658  -0.013  -0.888  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        3.949   1.353  -0.934  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        5.025   1.766  -1.738  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        5.729   0.798  -2.434  0.00  0.00    +0.156 A 
ATOM     28  N   LIG    1        6.702   1.464  -3.122  0.00  0.00    -0.260 N 
ATOM     29  H   LIG    1        7.399   1.059  -3.734  0.00  0.00    +0.191 HD
ATOM     30  N   LIG    1        6.689   2.800  -2.928  0.00  0.00    -0.180 NA
ATOM     31  N   LIG    1        5.508  -0.530  -2.440  0.00  0.00    -0.234 NA
ATOM     32  C   LIG    1        5.665   2.976  -2.084  0.00  0.00    +0.144 A 
ATOM     33  C   LIG    1        4.460  -0.876  -1.649  0.00  0.00    +0.136 A 
ENDBRANCH  22  24
ENDBRANCH   1  21
TORSDOF 4