REMARK  Name = BDB057864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.550   0.452   0.452  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -2.233   0.191   0.364  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -1.373   1.193   0.621  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -1.817   2.453   1.001  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -0.896   3.581   1.336  0.00  0.00    +0.049 C 
ATOM      6  C   LIG    1       -3.187   2.615   1.059  0.00  0.00    +0.120 A 
ATOM      7  N   LIG    1       -4.070   1.641   0.784  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -5.708  -0.508  -0.479  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -4.477  -0.656   0.191  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -4.157  -1.947   0.669  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -5.030  -3.029   0.519  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.255  -2.848  -0.113  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.595  -1.593  -0.610  0.00  0.00    +0.012 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.224   1.431  -2.104  0.00  0.00    +0.091 C 
ATOM     15  C   LIG    1       -6.150   0.756  -1.125  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -7.289   1.171  -0.921  0.00  0.00    -0.292 OA
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1        0.008   0.944   0.559  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        0.467   1.659   0.003  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.375  -0.391   0.102  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.882  -0.482   0.028  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.541  -0.516  -1.206  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.937  -0.590  -1.264  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.713  -0.627  -0.094  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        4.043  -0.584   1.139  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.647  -0.511   1.201  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.179  -0.705  -0.157  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.835  -1.668  -0.927  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1        8.182  -1.792  -1.034  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        8.926  -0.912  -0.334  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        8.388   0.083   0.464  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.000   0.183   0.550  0.00  0.00    +0.011 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6