REMARK  Name = BDB057649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.000  -0.004  -0.261  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.307   0.485  -0.092  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.385  -0.383   0.145  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -1.117  -1.759   0.180  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -2.160  -2.659   0.387  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -1.985  -3.654   0.417  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -3.462  -2.289   0.547  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -3.774  -0.825   0.495  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.248  -0.546   0.631  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -5.735   1.121   0.107  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -4.394   2.019   0.916  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -3.039   1.579   0.365  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -4.334  -3.131   0.736  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.176  -2.259  -0.001  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -2.783   0.084   0.343  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        1.236  -1.381  -0.224  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  19
ATOM     17  N   LIG    1        3.368   0.577  -0.170  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        3.469  -0.181   0.491  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        2.093   0.980  -0.507  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        1.829   2.089  -0.957  0.00  0.00    -0.270 OA
BRANCH  17  21
ATOM     21  C   LIG    1        4.469   1.527  -0.159  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.825   0.838  -0.363  0.00  0.00    +0.096 C 
BRANCH  22  23
ATOM     23  N   LIG    1        5.981  -0.359   0.476  0.00  0.00    -0.329 NA
ATOM     24  H   LIG    1        6.955  -0.662   0.426  0.00  0.00    +0.118 HD
ATOM     25  H   LIG    1        5.447  -1.117   0.050  0.00  0.00    +0.118 HD
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  19
TORSDOF 4