REMARK  Name = BDB022937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.441  -0.000  -2.114  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.158   0.893  -0.900  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.222   0.124   0.355  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.406  -0.186   1.030  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.422  -1.053   1.906  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.908  -0.772   0.643  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        2.246  -0.347   0.081  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        2.357   0.769  -0.723  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.626   1.053  -1.168  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.703   0.301  -0.883  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        4.512  -0.778  -0.110  0.00  0.00    +0.220 A 
ATOM     12  N   LIG    1        3.311  -1.126   0.383  0.00  0.00    -0.217 NA
ATOM     13  C   LIG    1        1.182   1.639  -1.025  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.654   0.648   0.731  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.963  -0.093   1.132  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -5.073   0.898   1.573  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.969   2.176   0.856  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.144   3.014   1.083  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.735   2.895   1.199  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.549   1.972   1.496  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.428  -1.015   0.009  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -4.378  -2.405   0.170  0.00  0.00    +0.127 A 
ATOM     23  F   LIG    1       -3.947  -2.936   1.323  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.780  -3.271  -0.845  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -5.247  -2.756  -2.051  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -5.312  -1.375  -2.233  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.906  -0.511  -1.212  0.00  0.00    +0.007 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  28
ATOM     28  N   LIG    1        5.560  -1.628   0.245  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        5.165  -2.356   0.828  0.00  0.00    +0.155 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.874  -1.609  -0.049  0.00  0.00    +0.071 A 
ATOM     31  C   LIG    1        7.579  -0.712  -0.811  0.00  0.00    +0.131 A 
ATOM     32  N   LIG    1        8.875  -1.139  -0.796  0.00  0.00    -0.273 N 
ATOM     33  C   LIG    1        9.998  -0.522  -1.456  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1        9.065  -2.260  -0.072  0.00  0.00    -0.178 NA
ATOM     35  C   LIG    1        7.840  -2.542   0.383  0.00  0.00    +0.157 A 
ENDBRANCH  28  30
ENDBRANCH  11  28
TORSDOF 4