REMARK  Name = BDB049118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.395   1.064  -0.233  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -2.560   0.392  -0.627  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -3.539   0.131   0.346  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -4.770  -0.605  -0.047  0.00  0.00    +0.257 A 
ATOM      5  N   LIG    1       -4.863  -0.974  -1.372  0.00  0.00    -0.329 N 
ATOM      6  H   LIG    1       -5.711  -1.466  -1.627  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1       -3.914  -0.699  -2.320  0.00  0.00    +0.086 A 
ATOM      8  O   LIG    1       -5.651  -0.874   0.761  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -3.372   0.552   1.671  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.221   1.249   2.036  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -2.789  -0.045  -2.010  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.236   1.511   1.083  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -0.414   1.343  -1.151  0.00  0.00    -0.484 OA
BRANCH  13  14
ATOM     14  C   LIG    1        0.676   0.426  -1.041  0.00  0.00    +0.308 C 
BRANCH  14  16
ATOM     15  O   LIG    1        1.933   2.168   0.087  0.00  0.00    -0.288 OA
ATOM     16  C   LIG    1        1.906   1.020  -0.354  0.00  0.00    +0.200 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.123   0.161  -0.213  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        3.184  -1.150  -0.704  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        4.348  -1.908  -0.542  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.455  -1.365   0.108  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.404  -0.062   0.599  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.243   0.698   0.439  0.00  0.00    +0.011 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 4