REMARK  Name = BDB051729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.514   0.971  -0.335  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1        4.872  -0.248   0.017  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        5.376  -1.542   0.563  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        4.438  -2.717   0.185  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        2.969  -2.369   0.199  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        2.520  -1.083  -0.062  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1        1.230  -0.722  -0.125  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1        0.338  -1.699   0.080  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1        0.662  -2.980   0.313  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        1.971  -3.293   0.365  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        3.529  -0.058  -0.253  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1        3.423   1.210  -0.741  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1        2.233   1.895  -1.186  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        4.609   1.850  -0.808  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        8.914   1.210   1.219  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        7.569   0.809   0.898  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        6.966   0.522   1.656  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        6.943   1.321  -0.229  0.00  0.00    +0.264 C 
ATOM     19  O   LIG    1        7.533   2.022  -1.048  0.00  0.00    -0.268 OA
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1       -1.025  -1.443   0.050  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -1.450  -2.356  -0.080  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.476  -0.381  -0.846  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1       -2.869  -0.717  -1.398  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.960  -0.602  -0.340  0.00  0.00    +0.110 C 
ATOM     25  N   LIG    1       -3.927   0.699   0.329  0.00  0.00    -0.297 N 
ATOM     26  C   LIG    1       -5.057   1.222   0.971  0.00  0.00    +0.247 C 
ATOM     27  O   LIG    1       -5.004   1.937   1.969  0.00  0.00    -0.270 OA
ATOM     28  C   LIG    1       -2.633   1.050   0.908  0.00  0.00    +0.110 C 
ATOM     29  C   LIG    1       -1.512   0.970  -0.122  0.00  0.00    +0.041 C 
BRANCH  26  30
ATOM     30  C   LIG    1       -6.396   0.936   0.404  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1       -6.664   1.179  -0.948  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1       -7.940   0.929  -1.456  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -8.945   0.453  -0.612  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -8.683   0.236   0.742  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -7.409   0.485   1.255  0.00  0.00    +0.013 A 
ENDBRANCH  26  30
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 4