REMARK  Name = BDB019817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.597  -0.975  -0.074  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1       -1.902  -0.700  -0.240  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.775  -1.685  -0.503  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1       -4.139  -1.388  -0.709  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1       -4.660   0.013  -0.553  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1       -4.589   0.464   0.930  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1       -4.967   1.930   1.144  0.00  0.00    +0.002 C 
ATOM      8  C   LIG    1       -4.177   2.862   0.233  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1       -4.324   2.483  -1.237  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1       -3.923   1.026  -1.484  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1       -6.146   0.008  -1.052  0.00  0.00    +0.130 C 
ATOM     12  N   LIG    1       -6.977  -0.988  -0.427  0.00  0.00    -0.312 N 
ATOM     13  H   LIG    1       -7.981  -0.930  -0.551  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -6.530  -2.276  -0.336  0.00  0.00    +0.234 C 
ATOM     15  O   LIG    1       -7.355  -3.185  -0.239  0.00  0.00    -0.274 OA
ATOM     16  C   LIG    1       -5.011  -2.511  -0.251  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -4.662  -3.745  -1.086  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -3.232  -4.167  -0.794  0.00  0.00    +0.042 C 
ATOM     19  C   LIG    1       -2.325  -2.995  -0.587  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -0.972  -3.195  -0.401  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1       -0.098  -2.211  -0.150  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   1  22
ATOM     22  N   LIG    1        0.205   0.121   0.187  0.00  0.00    -0.268 N 
ATOM     23  H   LIG    1       -0.322   0.979   0.211  0.00  0.00    +0.156 HD
BRANCH  22  27
ATOM     24  C   LIG    1        4.261   0.909   0.906  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        3.229   1.851   0.871  0.00  0.00    +0.136 A 
ATOM     26  N   LIG    1        1.915   1.593   0.635  0.00  0.00    -0.238 NA
ATOM     27  C   LIG    1        1.552   0.313   0.420  0.00  0.00    +0.125 A 
ATOM     28  C   LIG    1        2.498  -0.701   0.440  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        3.845  -0.401   0.684  0.00  0.00    +0.028 A 
BRANCH  24  34
ATOM     30  C   LIG    1        9.690   1.186   0.235  0.00  0.00    +0.105 C 
ATOM     31  N   LIG    1        8.284   1.188  -0.157  0.00  0.00    -0.302 NA
ATOM     32  C   LIG    1        7.565  -0.002   0.357  0.00  0.00    +0.103 C 
ATOM     33  C   LIG    1        6.600   0.283   1.529  0.00  0.00    +0.120 C 
ATOM     34  N   LIG    1        5.583   1.285   1.154  0.00  0.00    -0.326 N 
ATOM     35  C   LIG    1        6.082   2.364   0.261  0.00  0.00    +0.120 C 
ATOM     36  C   LIG    1        7.627   2.444   0.268  0.00  0.00    +0.103 C 
ENDBRANCH  24  34
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 3