REMARK  Name = BDB041336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.172   1.898   2.772  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -2.334   0.987   1.796  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.420   0.901   0.802  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1       -0.275   1.725   0.780  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        0.667   1.563  -0.268  0.00  0.00    +0.128 A 
ATOM      6  N   LIG    1        0.468   0.684  -1.266  0.00  0.00    -0.239 NA
ATOM      7  C   LIG    1       -0.639  -0.083  -1.226  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -0.144   2.666   1.827  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -1.593  -0.030  -0.223  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1       -1.092   2.748   2.839  0.00  0.00    +0.068 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.731  -0.950  -0.271  0.00  0.00    +0.072 A 
ATOM     12  N   LIG    1       -3.018  -1.913   0.665  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1       -2.265  -2.263   1.847  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -4.123  -2.633   0.374  0.00  0.00    -0.176 NA
ATOM     15  C   LIG    1       -4.568  -2.109  -0.769  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1       -5.798  -2.633  -1.408  0.00  0.00    +0.067 C 
ATOM     17  C   LIG    1       -3.734  -1.064  -1.217  0.00  0.00    +0.052 A 
ENDBRANCH   9  11
BRANCH   1  19
ATOM     18  C   LIG    1       -4.266   1.216   3.544  0.00  0.00    +0.279 C 
ATOM     19  O   LIG    1       -3.096   1.992   3.789  0.00  0.00    -0.480 OA
ENDBRANCH   1  19
BRANCH   5  20
ATOM     20  N   LIG    1        1.803   2.385  -0.317  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        2.227   2.480   0.600  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.813   2.102  -1.330  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.852   1.136  -0.826  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.019  -0.148  -1.339  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.258  -0.874  -2.386  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        4.171  -2.087  -2.581  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        5.027  -2.233  -1.427  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        4.989  -1.003  -0.826  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        5.829  -0.636   0.208  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.692   0.649   0.730  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.718   1.514   0.214  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        4.600   2.734   0.755  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   5  20
TORSDOF 5