REMARK  Name = BDB044686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.303  -0.146   0.220  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -1.876  -1.069  -0.569  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -1.136  -2.123  -0.918  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.195  -2.284  -0.517  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.904  -3.448  -0.912  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.300  -4.421  -1.706  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.015  -4.246  -2.111  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.720  -1.242   0.271  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -1.716  -3.105  -1.713  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.033  -0.199   0.656  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.688   3.239   1.420  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.431   3.037   1.981  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.660   1.937   1.591  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -2.121   1.014   0.633  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1       -3.399   1.245   0.086  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -4.173   2.343   0.473  0.00  0.00    +0.001 A 
ENDBRANCH   1  14
BRANCH   8  17
ATOM     17  N   LIG    1        2.059  -1.318   0.713  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1        2.655  -1.514  -0.089  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.571  -0.131   1.402  0.00  0.00    +0.177 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.997   0.976   0.496  0.00  0.00    +0.122 A 
ATOM     21  O   LIG    1        4.198   0.819  -0.136  0.00  0.00    -0.466 OA
ATOM     22  C   LIG    1        4.384   1.919  -0.910  0.00  0.00    +0.195 A 
ATOM     23  C   LIG    1        3.317   2.778  -0.793  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        2.417   2.168   0.114  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   8  17
TORSDOF 4