REMARK  Name = BDB017825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.227  -3.255  -0.590  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1        1.390  -2.580   0.115  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        2.111  -3.212   1.139  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        3.135  -2.509   1.788  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.410  -1.175   1.462  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.677  -0.521   0.467  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.832  -4.643   1.526  0.00  0.00    +0.035 C 
ATOM      8  C   LIG    1        0.431  -5.102   1.125  0.00  0.00    +0.007 C 
ATOM      9  C   LIG    1        1.685  -1.241  -0.209  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.159  -4.766  -0.338  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        2.882   0.881   0.133  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1        1.991   1.598  -0.666  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1        2.509   2.795  -0.730  0.00  0.00    +0.110 A 
ATOM     14  C   LIG    1        2.171   4.085  -1.359  0.00  0.00    +0.076 C 
ATOM     15  C   LIG    1        3.104   5.055  -0.590  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1        4.260   4.193  -0.047  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1        3.663   2.876  -0.019  0.00  0.00    -0.334 N 
ATOM     18  C   LIG    1        3.935   1.688   0.548  0.00  0.00    +0.115 A 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     19  C   LIG    1       -2.054  -2.362  -1.001  0.00  0.00    +0.218 C 
ATOM     20  N   LIG    1       -0.993  -2.590  -0.155  0.00  0.00    -0.308 N 
ATOM     21  H   LIG    1       -0.989  -2.183   0.772  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.147  -2.874  -2.110  0.00  0.00    -0.275 OA
BRANCH  19  26
ATOM     23  C   LIG    1       -2.823   2.222   0.724  0.00  0.00    +0.215 C 
ATOM     24  N   LIG    1       -3.282   1.054   0.120  0.00  0.00    -0.301 N 
ATOM     25  C   LIG    1       -2.412   0.033  -0.471  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -3.055  -1.359  -0.443  0.00  0.00    +0.092 C 
ATOM     27  C   LIG    1       -4.397  -1.367  -1.191  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -5.090  -0.002  -1.195  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -4.724   0.838   0.023  0.00  0.00    +0.108 C 
ATOM     30  O   LIG    1       -3.593   3.033   1.240  0.00  0.00    -0.276 OA
BRANCH  23  32
ATOM     31  C   LIG    1       -0.933   3.810   1.277  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -1.316   2.446   0.726  0.00  0.00    +0.092 C 
ENDBRANCH  23  32
ENDBRANCH  19  26
ENDBRANCH   1  20
TORSDOF 4