REMARK  Name = BDB013967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.128  -1.458  -0.622  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.064  -2.884  -0.799  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.171  -3.670  -0.044  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        0.132  -5.065  -0.249  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.960  -5.680  -1.184  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        1.845  -4.912  -1.925  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.704  -3.101   1.046  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1       -1.712  -2.091   0.521  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -1.066  -0.736   0.284  0.00  0.00    +0.160 C 
ATOM     10  C   LIG    1        1.898  -3.530  -1.732  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -0.054  -0.752  -0.869  0.00  0.00    +0.240 C 
ATOM     12  O   LIG    1       -0.239  -0.083  -1.892  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1       -2.072   0.273  -0.052  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1       -1.983   0.689  -0.976  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1       -2.797   0.930   0.921  0.00  0.00    +0.230 C 
ATOM     16  O   LIG    1       -2.748   0.600   2.103  0.00  0.00    -0.274 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.639   2.104   0.365  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -2.727   3.319   0.195  0.00  0.00    +0.034 C 
BRANCH  17  19
ATOM     19  N   LIG    1       -4.769   2.462   1.246  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -5.197   3.324   0.913  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.781   1.415   1.293  0.00  0.00    +0.101 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   9  13
BRANCH   1  22
ATOM     22  C   LIG    1        2.349  -0.761  -1.047  0.00  0.00    +0.150 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.062   0.253   1.162  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        2.631   0.461  -0.172  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1        2.457   1.800  -0.652  0.00  0.00    -0.012 A 
ATOM     26  C   LIG    1        2.728   2.882   0.229  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        2.570   4.211  -0.199  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        2.143   4.505  -1.490  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        1.869   3.471  -2.370  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        3.152   2.636   1.539  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1        2.023   2.143  -1.957  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1        3.318   1.335   2.002  0.00  0.00    +0.018 A 
BRANCH  23  34
ATOM     33  C   LIG    1        3.408  -2.162   2.165  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        3.253  -1.062   1.707  0.00  0.00    -0.069 C 
ENDBRANCH  23  34
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6