REMARK  Name = BDB057655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.035  -0.311   1.437  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        3.030   0.343   0.697  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        4.158  -0.356   0.243  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        4.249  -1.723   0.553  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        5.337  -2.462   0.092  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        5.422  -3.446   0.310  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        6.338  -1.943  -0.673  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1        6.259  -0.489  -1.020  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        7.397  -0.043  -1.899  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1        7.111   1.546  -2.727  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1        6.451   2.433  -1.300  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        5.168   1.770  -0.801  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1        7.271  -2.648  -1.047  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        3.272  -2.373   1.316  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        5.245   0.276  -0.551  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        2.164  -1.661   1.770  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        1.123   1.496   2.565  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        0.881   0.475   1.926  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -0.411   0.018   1.657  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1       -1.505   0.848   2.169  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1       -2.862   0.118   2.170  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -3.225  -0.521   0.876  0.00  0.00    -0.296 NA
ATOM     23  C   LIG    1       -2.109  -1.429   0.525  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -0.731  -0.747   0.442  0.00  0.00    +0.123 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.582   0.465  -0.182  0.00  0.00    +0.057 C 
ATOM     26  C   LIG    1       -4.795   1.327   0.278  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -5.690   1.873  -0.834  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -6.609   0.839  -1.504  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -6.310  -0.631  -1.215  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -4.960  -1.129  -1.724  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -3.794  -0.155  -1.584  0.00  0.00    +0.019 C 
ENDBRANCH  22  25
ENDBRANCH   1  18
TORSDOF 2