REMARK  Name = BDB036960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.782   0.111   0.180  0.00  0.00    -0.259 N 
ATOM      2  N   LIG    1       -0.594   0.815   1.313  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.736   0.884   1.422  0.00  0.00    +0.142 A 
ATOM      4  C   LIG    1        1.409   0.202   0.383  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        0.388  -0.294  -0.402  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -6.208   0.457  -0.462  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -5.002   0.295  -0.305  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.094   1.200  -0.793  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.491   1.980  -1.301  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -2.745   0.997  -0.985  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -2.133   1.706  -1.782  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -2.131  -0.199  -0.277  0.00  0.00    +0.193 C 
ATOM     13  C   LIG    1       -3.030  -0.696   0.860  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -4.432  -0.949   0.333  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1        2.829   0.038   0.119  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        3.742   1.010   0.552  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        5.110   0.862   0.310  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.582  -0.261  -0.365  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.687  -1.236  -0.800  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.318  -1.088  -0.559  0.00  0.00    +0.008 A 
ENDBRANCH   4  15
TORSDOF 2