REMARK  Name = BDB041254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.914   0.804  -1.316  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.967   2.115  -2.117  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1  12
ATOM      3  C   LIG    1       -6.851   0.037   1.322  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -6.155   1.166   2.036  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -6.695   1.780   2.951  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -4.887   1.485   1.625  0.00  0.00    -0.321 N 
ATOM      7  H   LIG    1       -4.438   2.244   2.119  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -4.227   0.817   0.590  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -4.861  -0.228  -0.076  0.00  0.00    +0.088 A 
ATOM     10  N   LIG    1       -4.297  -0.926  -1.085  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -3.043  -0.560  -1.438  0.00  0.00    +0.116 A 
ATOM     12  C   LIG    1       -2.317   0.468  -0.834  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1       -2.940   1.173   0.207  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -6.212  -0.604   0.325  0.00  0.00    +0.038 A 
BRANCH   3  16
ATOM     15  C   LIG    1       -8.974  -1.420   1.146  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -8.243  -0.265   1.822  0.00  0.00    +0.037 C 
ENDBRANCH   3  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  N   LIG    1        0.030   0.941  -0.188  0.00  0.00    -0.289 NA
ATOM     18  C   LIG    1        0.295  -0.379   0.451  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1        1.790   0.018   0.536  0.00  0.00    +0.201 C 
ATOM     20  C   LIG    1        1.441   0.943  -0.658  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  O   LIG    1        2.725  -1.057   0.293  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.058  -0.763   0.181  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.887  -1.801  -0.235  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        6.227  -1.694  -0.400  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        6.766  -0.474  -0.122  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        6.022   0.620   0.305  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.644   0.468   0.460  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        8.250  -0.344  -0.301  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        8.870  -1.502  -0.717  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        8.265  -2.307  -0.860  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       10.284  -1.606  -0.957  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        8.828   0.715  -0.088  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  17
TORSDOF 6