REMARK  Name = BDB014671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.793   3.405   1.093  0.00  0.00    +0.214 C 
ATOM      2  N   LIG    1        0.466   3.698   1.286  0.00  0.00    -0.313 N 
ATOM      3  H   LIG    1        0.064   3.544   2.204  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        2.324   3.441  -0.014  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.549   3.042   2.352  0.00  0.00    +0.103 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.513   1.889   2.090  0.00  0.00    +0.083 C 
BRANCH   6  16
ATOM      7  C   LIG    1        3.474   0.205  -0.507  0.00  0.00    +0.150 C 
ATOM      8  N   LIG    1        2.772  -0.129   0.710  0.00  0.00    -0.331 N 
ATOM      9  C   LIG    1        1.976  -1.237   0.898  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        1.526  -1.114   2.209  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1        0.679  -2.095   2.746  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        0.300  -3.175   1.941  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        0.754  -3.275   0.626  0.00  0.00    +0.002 A 
ATOM     14  N   LIG    1        2.013   0.028   2.791  0.00  0.00    -0.232 NA
ATOM     15  C   LIG    1        1.605  -2.309   0.075  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        2.772   0.604   1.879  0.00  0.00    +0.111 A 
ENDBRANCH   6  16
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  17
ATOM     17  C   LIG    1       -0.439   4.058   0.198  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.723   2.929  -0.824  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.382   2.796  -1.731  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        1.203   2.984  -1.226  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -1.033   1.584  -0.125  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -1.809   0.604  -0.924  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -2.115  -0.561  -0.062  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -2.695  -1.756  -0.786  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -2.564  -1.893  -2.177  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -3.078  -3.028  -2.818  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.694  -4.037  -2.078  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.807  -3.916  -0.696  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.932  -0.786  -2.977  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -3.307  -2.783  -0.052  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.075   0.155  -2.118  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 8