REMARK  Name = BDB055195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.854   0.923  -0.790  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        1.118  -0.451  -0.821  0.00  0.00    +0.264 C 
ATOM      3  O   LIG    1        0.506  -1.191  -1.596  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        2.122  -1.007   0.062  0.00  0.00    +0.103 A 
ATOM      5  N   LIG    1        2.101  -2.340   0.417  0.00  0.00    -0.351 N 
ATOM      6  H   LIG    1        1.400  -2.995   0.098  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        3.147  -2.650   1.253  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.904  -1.491   1.401  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        5.061  -1.533   2.201  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        5.413  -2.733   2.830  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.635  -3.877   2.666  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.485  -3.859   1.870  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        3.268  -0.478   0.631  0.00  0.00    +0.040 A 
ENDBRANCH   2   4
BRANCH   1  14
ATOM     14  C   LIG    1       -0.036   1.422  -1.849  0.00  0.00    +0.204 C 
BRANCH  14  16
ATOM     15  O   LIG    1       -2.164   2.050  -0.869  0.00  0.00    -0.274 OA
ATOM     16  C   LIG    1       -1.514   1.217  -1.496  0.00  0.00    +0.231 C 
ATOM     17  N   LIG    1       -2.006  -0.020  -1.864  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -1.296  -0.729  -2.055  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.313  -0.483  -1.426  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1       -3.824  -1.579  -2.368  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -5.167  -2.139  -1.907  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -5.103  -2.635  -0.465  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -4.595  -1.551   0.480  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.253  -0.987   0.023  0.00  0.00    +0.022 C 
ENDBRANCH  17  19
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   1  25
ATOM     25  C   LIG    1        0.829   1.664   0.478  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.196   3.123   0.331  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        2.480   3.502  -0.091  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        2.814   4.851  -0.223  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        1.866   5.831   0.064  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        2.279   7.493  -0.101  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        0.587   5.473   0.480  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        0.253   4.123   0.614  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 6