REMARK  Name = BDB028321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.935  -0.020  -0.926  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.975   0.435  -0.092  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.189  -0.262  -0.010  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.369  -1.417  -0.763  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.646  -2.144  -0.674  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.587  -1.609   0.170  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.474  -2.097   0.246  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.443  -0.484   0.922  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.845  -3.165  -1.322  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.350  -1.886  -1.597  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.318   0.170   0.854  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.141  -1.190  -1.674  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        2.763   0.803  -0.734  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        1.556   0.091  -0.679  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.338   0.706  -1.004  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.401   2.042  -1.398  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        1.540   2.767  -1.479  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        2.686   2.134  -1.143  0.00  0.00    +0.119 A 
BRANCH  13  20
ATOM     19  C   LIG    1        4.359  -0.231   0.935  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        4.047   0.180  -0.381  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        5.013  -0.017  -1.388  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        6.245  -0.605  -1.095  0.00  0.00    +0.042 A 
ATOM     23 CL   LIG    1        7.401  -0.833  -2.347  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        6.543  -1.007   0.203  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        5.603  -0.821   1.216  0.00  0.00    +0.021 A 
BRANCH  19  27
ATOM     26  N   LIG    1        2.684   0.072   2.897  0.00  0.00    -0.191 NA
ATOM     27  C   LIG    1        3.432  -0.054   2.019  0.00  0.00    +0.100 C 
ENDBRANCH  19  27
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1       -4.147   1.438   1.698  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.359   1.721   2.476  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -6.145   1.750   1.822  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -5.562   0.892   3.041  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5