REMARK  Name = BDB057012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.826   2.334   2.382  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        2.636   1.290   1.320  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        1.355   0.769   1.227  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1        1.082  -0.151   0.332  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1        2.151  -0.600  -0.549  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1        3.410  -0.068  -0.435  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        4.181  -0.689  -1.392  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        3.316  -1.566  -2.025  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        2.050  -1.507  -1.497  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        3.651   0.898   0.523  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        5.679  -0.508  -1.746  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        6.598   0.334  -1.170  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1        7.776   0.122  -1.833  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        8.674   0.569  -1.678  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        7.685  -0.801  -2.803  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        6.407  -1.185  -2.749  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1       -0.171  -0.721   0.177  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1       -0.170  -1.413  -0.570  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.338  -0.509   0.840  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1       -1.612   0.579   2.141  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1       -3.211   0.222   2.361  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1       -3.587  -0.685   1.460  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -2.541  -1.145   0.588  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.000  -1.185   1.457  0.00  0.00    +0.111 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.860  -0.140   0.782  0.00  0.00    +0.047 A 
ATOM     26  N   LIG    1       -6.885   0.370   1.517  0.00  0.00    -0.257 NA
ATOM     27  C   LIG    1       -7.683   1.293   0.927  0.00  0.00    +0.149 A 
ATOM     28  C   LIG    1       -7.525   1.716  -0.378  0.00  0.00    +0.141 A 
ATOM     29  F   LIG    1       -8.351   2.626  -0.909  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1       -6.501   1.174  -1.136  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -5.658   0.228  -0.554  0.00  0.00    +0.026 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5