REMARK  Name = BDB015723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.550  -0.566   0.272  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -1.916   0.616   0.801  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.986   1.578   0.800  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        0.279   1.444   0.367  0.00  0.00    -0.180 NA
ATOM      5  C   LIG    1        0.613   0.259  -0.152  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -0.284  -0.785  -0.236  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -6.400  -1.904  -0.393  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -4.967  -2.206  -0.095  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.620  -3.635   0.190  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -5.493  -4.498   0.156  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -3.281  -3.886   0.489  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -2.871  -5.247   0.802  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -2.320  -2.888   0.509  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -2.611  -1.603   0.229  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.998  -1.277  -0.065  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        1.915   0.157  -0.642  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        2.341   1.069  -0.470  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.711  -0.902  -0.033  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.155  -0.743  -0.446  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        4.539  -0.959  -1.778  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.871  -0.810  -2.166  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.833  -0.441  -1.227  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.463  -0.217   0.098  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.130  -0.365   0.487  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  25
ATOM     25  O   LIG    1       -1.381   2.774   1.387  0.00  0.00    -0.421 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.684   3.892   1.002  0.00  0.00    +0.167 A 
ATOM     27  C   LIG    1       -0.695   4.350  -0.319  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1       -1.383   3.689  -1.261  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -0.009   5.505  -0.674  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1        0.676   6.207   0.309  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1        1.339   7.323  -0.020  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        0.677   5.779   1.636  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -0.013   4.618   1.988  0.00  0.00    +0.052 A 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 6