REMARK  Name = BDB014945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.755   4.739   1.236  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.671   3.706   0.628  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.089   2.526   0.179  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.627   2.382   0.015  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.246   0.950  -0.101  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.974   0.322  -0.148  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.113  -1.002  -0.263  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.439  -1.230  -0.272  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.159  -0.078  -0.204  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.631   0.097  -0.205  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.951   1.568  -0.544  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.881   3.922   0.560  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.937  -2.580  -0.358  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.656  -3.259  -1.686  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -2.762  -4.674  -1.445  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -2.685  -4.894  -0.028  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.334  -3.571   0.619  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.181   1.025  -0.085  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.129   2.035   0.001  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.535   0.617  -0.111  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.532   1.602  -0.022  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.162   2.890   0.084  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.893   1.299  -0.038  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        4.309  -0.029  -0.146  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        3.327  -1.026  -0.236  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        1.960  -0.707  -0.219  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.714  -0.400  -0.167  0.00  0.00    +0.113 A 
ATOM     28  N   LIG    1        6.159  -1.697  -0.248  0.00  0.00    -0.130 NA
ATOM     29  N   LIG    1        7.486  -1.685  -0.245  0.00  0.00    -0.065 NA
ATOM     30  N   LIG    1        7.872  -0.403  -0.165  0.00  0.00    -0.254 N 
ATOM     31  C   LIG    1        9.271  -0.073  -0.144  0.00  0.00    +0.174 C 
ATOM     32  C   LIG    1        6.804   0.442  -0.114  0.00  0.00    +0.138 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4