REMARK  Name = BDB039516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.589   1.241  -0.580  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.993   0.425   0.491  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.288  -0.068   0.487  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        2.986  -0.923   1.492  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.279  -1.164   0.867  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.450  -0.400  -0.279  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        5.451  -0.261  -0.953  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.164   0.253  -0.549  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        2.806   1.072  -1.602  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.501   1.572  -1.610  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.488   2.987  -1.789  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1       -3.355   2.598  -1.170  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1       -3.163   1.327  -0.465  0.00  0.00    -0.020 C 
ATOM     14  C   LIG    1       -1.903   0.956  -0.174  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -0.788   1.814  -0.655  0.00  0.00    +0.074 C 
ATOM     16  N   LIG    1       -0.942   3.002  -1.145  0.00  0.00    -0.228 NA
ATOM     17  C   LIG    1       -2.193   3.549  -1.162  0.00  0.00    +0.155 C 
ATOM     18  N   LIG    1       -2.266   4.836  -1.155  0.00  0.00    -0.281 NA
ATOM     19  H   LIG    1       -3.257   5.101  -1.109  0.00  0.00    +0.188 HD
BRANCH  11  21
ATOM     20  C   LIG    1       -5.892   4.299  -3.385  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1       -4.739   4.135  -2.521  0.00  0.00    -0.352 N 
ATOM     22  H   LIG    1       -3.890   4.576  -2.890  0.00  0.00    +0.145 HD
ENDBRANCH  11  21
BRANCH  13  23
ATOM     23  C   LIG    1       -4.379   0.508  -0.064  0.00  0.00    +0.120 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.091  -0.829   0.477  0.00  0.00    -0.298 NA
ATOM     25  C   LIG    1       -3.829  -1.825  -0.571  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -3.944  -3.142   0.181  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -4.896  -2.854   1.337  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1       -5.234  -1.376   1.215  0.00  0.00    +0.085 C 
ENDBRANCH  23  24
ENDBRANCH  13  23
ENDBRANCH   1  15
BRANCH   5  29
ATOM     29  C   LIG    1        5.371  -1.792   1.604  0.00  0.00    +0.163 C 
ATOM     30  C   LIG    1        6.182  -0.752   2.393  0.00  0.00    +0.240 C 
ATOM     31  O   LIG    1        5.693   0.274   2.864  0.00  0.00    -0.273 OA
ATOM     32  N   LIG    1        7.490  -1.085   2.663  0.00  0.00    -0.255 N 
ATOM     33  H   LIG    1        8.011  -0.416   3.213  0.00  0.00    +0.158 HD
ATOM     34  C   LIG    1        8.132  -2.267   2.388  0.00  0.00    +0.219 C 
ATOM     35  O   LIG    1        9.257  -2.492   2.825  0.00  0.00    -0.275 OA
ATOM     36  C   LIG    1        7.350  -3.299   1.609  0.00  0.00    +0.098 C 
ATOM     37  C   LIG    1        6.293  -2.645   0.733  0.00  0.00    +0.041 C 
ENDBRANCH   5  29
TORSDOF 5