REMARK  Name = BDB029661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.096  -0.021  -0.387  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.679   1.026  -1.334  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.398   0.594  -2.084  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.770   0.357  -1.205  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.344  -0.136   0.125  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.024  -0.859   0.176  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.064  -0.345   0.846  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.672   0.809   0.246  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        4.369   0.866  -0.136  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.408  -0.143   0.034  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        3.885  -1.302   0.661  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.216  -1.414   1.074  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.600   0.870   1.400  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.243   0.697   0.959  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.723   1.477   0.565  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.500  -0.421   1.274  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.943  -1.401   1.860  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.728  -0.540  -1.868  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.095  -0.531  -1.226  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -3.742   0.668  -0.889  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -5.007   0.616  -0.322  0.00  0.00    +0.072 A 
ATOM     22  N   LIG    1       -5.698   1.800   0.046  0.00  0.00    -0.320 N 
ATOM     23  H   LIG    1       -5.266   2.703  -0.101  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -6.968   1.823   0.619  0.00  0.00    +0.260 A 
ATOM     25  C   LIG    1       -7.576   0.524   0.829  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -6.901  -0.619   0.469  0.00  0.00    +0.167 A 
ATOM     27  O   LIG    1       -7.619  -1.734   0.737  0.00  0.00    -0.461 OA
ATOM     28  C   LIG    1       -8.789  -1.293   1.285  0.00  0.00    +0.196 A 
ATOM     29  C   LIG    1       -8.811   0.086   1.362  0.00  0.00    +0.055 A 
ATOM     30  O   LIG    1       -7.516   2.878   0.918  0.00  0.00    -0.267 OA
ATOM     31  C   LIG    1       -5.588  -0.648  -0.124  0.00  0.00    +0.130 A 
ATOM     32  N   LIG    1       -5.009  -1.822  -0.445  0.00  0.00    -0.249 NA
ATOM     33  C   LIG    1       -3.776  -1.731  -0.993  0.00  0.00    +0.116 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4