REMARK  Name = BDB014903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.788   1.883   4.913  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.420   1.427   4.475  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.143   1.448   3.114  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.767   1.086   2.734  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.674   0.798   1.277  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.589   0.320   0.505  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.939   0.233  -0.779  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.237   0.597  -0.845  0.00  0.00    -0.258 N 
ATOM      9  C   LIG    1       -2.705   0.995   0.379  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.042   1.512   0.765  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.934   2.219   2.133  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.600   1.044   5.310  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.914   0.580  -2.159  0.00  0.00    +0.081 C 
ATOM     14  C   LIG    1       -4.327  -0.032  -2.055  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1       -2.142  -0.297  -3.181  0.00  0.00    +0.038 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -2.972   2.029  -2.698  0.00  0.00    +0.185 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -3.648   2.129  -3.952  0.00  0.00    -0.393 OA
ATOM     18  H   LIG    1       -4.604   2.056  -3.791  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   8  13
BRANCH   6  19
ATOM     19  N   LIG    1        0.613   0.024   1.053  0.00  0.00    -0.296 N 
ATOM     20  H   LIG    1        0.724   0.122   2.058  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.817  -0.451   0.482  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        2.917  -0.671   1.326  0.00  0.00    +0.145 A 
ATOM     23  F   LIG    1        2.787  -0.423   2.641  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        4.144  -1.135   0.854  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.313  -1.398  -0.507  0.00  0.00    -0.012 A 
ATOM     26  C   LIG    1        3.227  -1.180  -1.366  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        1.997  -0.714  -0.877  0.00  0.00    +0.027 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.579  -1.877  -1.034  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.516  -2.603  -0.327  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        7.540  -2.859  -1.193  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        8.750  -3.593  -0.916  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        7.342  -2.353  -2.422  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.149  -1.758  -2.325  0.00  0.00    +0.142 A 
ENDBRANCH  25  28
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 6