REMARK  Name = BDB057836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.941   0.853   0.186  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -1.643   0.525   0.035  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -0.780   1.008   0.946  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1       -1.194   1.763   2.051  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -2.531   2.103   2.052  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1       -3.426   1.654   1.152  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.096  -0.314  -0.531  0.00  0.00    -0.034 A 
ATOM      8  C   LIG    1       -3.881   0.357  -0.834  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.557   0.571  -2.193  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.406   0.173  -3.225  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.607  -0.450  -2.923  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.949  -0.689  -1.592  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.912  -2.113   1.081  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -5.506  -0.643   0.903  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.629   0.285   1.374  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  N   LIG    1       -0.266   2.325   2.954  0.00  0.00    -0.354 N 
ATOM     17  H   LIG    1        0.551   1.716   3.028  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -0.665   2.526   3.866  0.00  0.00    +0.142 HD
ENDBRANCH   4  16
BRANCH   3  19
ATOM     19  N   LIG    1        0.606   0.725   0.842  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1        1.096   1.614   0.926  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.974   0.035  -0.388  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.478  -0.122  -0.420  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.271   0.714  -1.215  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.662   0.571  -1.227  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.301  -0.403  -0.441  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        4.497  -1.228   0.361  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.105  -1.090   0.374  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.763  -0.550  -0.455  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.481  -0.679  -1.646  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1        8.828  -0.813  -1.731  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1        9.507  -0.825  -0.566  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        8.903  -0.708   0.674  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.517  -0.570   0.725  0.00  0.00    +0.011 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7