REMARK  Name = BDB053416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.511  -0.963  -0.116  0.00  0.00    +0.190 C 
ATOM      2  N   LIG    1       -1.001   0.221  -0.545  0.00  0.00    -0.239 N 
ATOM      3  C   LIG    1        0.361   0.106  -0.598  0.00  0.00    +0.271 C 
ATOM      4  O   LIG    1        1.177   0.921  -0.984  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.590  -1.284  -0.103  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        1.762  -1.909   0.070  0.00  0.00    +0.041 C 
ATOM      7  N   LIG    1       -0.627  -1.881   0.149  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        3.092  -1.348  -0.170  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1        3.598  -0.324   0.642  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        4.869   0.142   0.376  0.00  0.00    +0.167 A 
ATOM     11  O   LIG    1        5.514   1.126   1.059  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1        6.757   1.189   0.332  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1        6.851   0.223  -0.735  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1        5.632  -0.374  -0.645  0.00  0.00    +0.166 A 
ATOM     15  C   LIG    1        5.170  -1.386  -1.456  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        3.884  -1.879  -1.211  0.00  0.00    +0.012 A 
ENDBRANCH   6   8
BRANCH   1  17
ATOM     17  N   LIG    1       -2.846  -1.224   0.013  0.00  0.00    -0.317 N 
ATOM     18  H   LIG    1       -2.931  -2.227   0.175  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.642  -0.513   1.008  0.00  0.00    +0.104 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -5.421  -2.309   1.321  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -5.120  -0.884   0.881  0.00  0.00    +0.015 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   2  22
ATOM     22  C   LIG    1       -1.706   1.374  -1.075  0.00  0.00    +0.116 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.617   2.576  -0.133  0.00  0.00    +0.016 C 
ATOM     24  C   LIG    1       -2.415   3.756  -0.662  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6