REMARK  Name = BDB000009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.852   2.598   1.651  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        1.460   1.604   0.794  0.00  0.00    -0.341 N 
ATOM      3  C   LIG    1        0.883   0.454   0.328  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        1.903  -0.426  -0.029  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        1.489  -1.730  -0.343  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        2.327  -2.884  -0.710  0.00  0.00    +0.245 C 
ATOM      7  O   LIG    1        3.533  -2.924  -0.846  0.00  0.00    -0.270 OA
ATOM      8  N   LIG    1        1.490  -3.965  -0.873  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.858  -4.871  -1.127  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        0.109  -3.656  -0.636  0.00  0.00    +0.141 C 
ATOM     11  C   LIG    1        0.142  -2.194  -0.301  0.00  0.00    -0.008 A 
ATOM     12  C   LIG    1       -0.931  -1.341  -0.002  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -2.339  -1.487   0.169  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -2.860  -0.214   0.423  0.00  0.00    +0.050 A 
ATOM     15  N   LIG    1       -1.810   0.683   0.282  0.00  0.00    -0.337 N 
ATOM     16  C   LIG    1       -4.226  -0.008   0.687  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -5.074  -1.119   0.674  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.583  -2.390   0.401  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.222  -2.587   0.146  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        3.124   0.317   0.025  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.474   0.036  -0.283  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        5.457   1.016  -0.107  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.120   2.273   0.381  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.798   2.580   0.706  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -0.627  -0.007   0.239  0.00  0.00    +0.075 A 
ATOM     26  C   LIG    1        2.816   1.591   0.517  0.00  0.00    +0.050 A 
ENDROOT
BRANCH  15  27
ATOM     27  C   LIG    1       -1.999   2.096  -0.007  0.00  0.00    +0.137 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.766   2.379  -1.300  0.00  0.00    +0.140 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.991   2.003  -2.488  0.00  0.00    +0.064 C 
ATOM     30  N   LIG    1       -1.386   1.736  -3.441  0.00  0.00    -0.197 NA
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  15  27
TORSDOF 3