REMARK  Name = BDB054478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.684  -0.122   0.708  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.358  -0.241   0.503  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.378   0.120   1.568  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.099   0.569   2.782  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -1.050   0.802   3.556  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -2.179   0.522   2.897  0.00  0.00    -0.177 NA
ATOM      7  C   LIG    1        1.474   0.658   2.906  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -1.750   0.125   1.675  0.00  0.00    -0.243 N 
ATOM      9  N   LIG    1        2.252   0.306   1.857  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.674  -0.302   0.630  0.00  0.00    +0.116 C 
ATOM     11  C   LIG    1       -4.113  -0.679   1.086  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -4.811  -1.380  -0.102  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -4.889  -0.427  -1.312  0.00  0.00    -0.010 C 
ATOM     14  C   LIG    1       -5.693   0.824  -0.922  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -5.014   1.533   0.261  0.00  0.00    -0.010 C 
ATOM     16  C   LIG    1       -3.586   1.944  -0.136  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -3.471   0.006  -1.724  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -4.950   0.566   1.451  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1       -2.765   0.706  -0.544  0.00  0.00    +0.014 C 
ENDBRANCH   8  10
BRANCH   1  20
ATOM     20  N   LIG    1        2.471  -0.488  -0.389  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        1.840  -0.778  -1.125  0.00  0.00    +0.155 HD
BRANCH  20  26
ATOM     22  C   LIG    1        6.694  -0.970  -2.694  0.00  0.00    +0.149 C 
ATOM     23  N   LIG    1        5.754  -0.764  -1.613  0.00  0.00    -0.344 N 
ATOM     24  C   LIG    1        6.056  -0.320  -0.340  0.00  0.00    +0.106 A 
ATOM     25  C   LIG    1        4.838  -0.104   0.293  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        3.802  -0.495  -0.581  0.00  0.00    +0.052 A 
ATOM     27  C   LIG    1        4.394  -0.906  -1.751  0.00  0.00    +0.109 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.364  -0.074   0.220  0.00  0.00    +0.258 C 
ATOM     29  O   LIG    1        7.636   0.835   0.996  0.00  0.00    -0.269 OA
ATOM     30  N   LIG    1        8.323  -0.991  -0.107  0.00  0.00    -0.324 N 
ATOM     31  H   LIG    1        8.027  -1.926  -0.348  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1        9.161  -0.916   0.456  0.00  0.00    +0.145 HD
ENDBRANCH  24  28
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 4