REMARK  Name = BDB049300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.526  -0.699   1.081  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.235  -0.301   0.698  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.845  -0.574   1.559  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.554  -1.239   2.744  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.724  -1.422   3.426  0.00  0.00    -0.345 N 
ATOM      6  H   LIG    1       -1.780  -1.880   4.324  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1       -2.768  -0.893   2.711  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1        0.649  -1.650   3.180  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -2.258  -0.353   1.543  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.650  -1.352   2.313  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.925   0.055  -1.424  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        4.067   1.105  -1.081  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        2.960   0.852  -0.264  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        2.693  -0.441   0.222  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        3.570  -1.480  -0.138  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        4.681  -1.241  -0.955  0.00  0.00    +0.033 A 
BRANCH  11  18
ATOM     17  O   LIG    1        6.827  -0.644  -2.554  0.00  0.00    -0.126 OA
ATOM     18  N   LIG    1        6.088   0.313  -2.282  0.00  0.00    +0.056 N 
ATOM     19  O   LIG    1        6.262   1.472  -2.683  0.00  0.00    -0.126 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   9  20
ATOM     20  C   LIG    1       -3.085   0.313   0.551  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -4.250  -0.298   0.066  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.040   0.342  -0.893  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -4.662   1.595  -1.363  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1       -3.512   2.216  -0.891  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -2.723   1.576   0.066  0.00  0.00    +0.012 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -5.402   2.256  -2.299  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1       -6.170   1.708  -2.531  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH   9  20
TORSDOF 4