REMARK  Name = BDB022228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.873  -1.566   0.778  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.518  -1.397   0.274  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.523  -2.302   0.668  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.837  -2.104   0.214  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.155  -1.042  -0.638  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.171  -0.163  -1.080  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -1.188  -3.415   1.496  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -2.211  -4.369   1.893  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1        0.115  -3.653   1.897  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1        0.476  -4.618   2.569  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.862  -0.354  -0.614  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        1.134  -2.659   1.508  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.810  -0.589   0.463  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        1.409   0.349   0.368  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.194  -0.488   0.952  0.00  0.00    +0.154 C 
ATOM     16  C   LIG    1        4.116  -1.275   0.028  0.00  0.00    +0.038 C 
BRANCH  15  19
ATOM     17  N   LIG    1        4.867   1.258   1.484  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1        5.397   0.502   1.898  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.603   1.007   0.991  0.00  0.00    +0.233 C 
ATOM     20  O   LIG    1        2.833   1.901   0.632  0.00  0.00    -0.274 OA
BRANCH  17  22
ATOM     21  C   LIG    1        4.907   3.221   2.958  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        5.367   2.608   1.648  0.00  0.00    +0.101 C 
ENDBRANCH  17  22
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1       -2.441   0.931  -1.925  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1       -1.634   1.209  -2.482  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.617   1.686  -2.135  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1       -3.886   2.289  -3.378  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1       -5.083   2.978  -3.526  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1       -5.546   3.763  -4.989  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1       -6.015   3.110  -2.554  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1       -5.741   2.527  -1.374  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1       -4.580   1.814  -1.125  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -2.961   2.193  -4.461  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1       -2.172   2.102  -5.308  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7