REMARK  Name = BDB057854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.305   0.952   0.825  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1        3.473   0.799   0.182  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        3.498   1.115  -1.113  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        2.373   1.583  -1.803  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        2.495   1.923  -3.176  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        3.708   1.778  -3.846  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.812   1.300  -3.158  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.192   1.688  -1.042  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        4.697   0.977  -1.803  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.161   1.381   0.265  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        4.255   2.073   2.828  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        3.170   1.099   3.206  0.00  0.00    -0.040 A 
ATOM     13  C   LIG    1        2.261   0.586   2.249  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        1.276  -0.322   2.692  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        1.192  -0.720   4.027  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        2.098  -0.219   4.954  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.082   0.681   4.547  0.00  0.00    +0.004 A 
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1        0.020   2.165  -1.667  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1       -0.161   1.596  -2.489  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.175   2.298  -0.841  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.006   1.035  -0.865  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -2.025   0.177   0.239  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -2.782  -0.998   0.216  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -3.540  -1.350  -0.911  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -3.516  -0.483  -2.015  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -2.760   0.694  -1.994  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -4.335  -2.587  -0.934  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.229  -3.513  -1.973  0.00  0.00    +0.119 A 
ATOM     29  N   LIG    1       -4.935  -4.668  -2.060  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1       -5.795  -4.925  -1.054  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -5.982  -4.083   0.029  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -5.242  -2.903   0.085  0.00  0.00    +0.011 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 5