REMARK  Name = BDB014471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.442  -0.627   2.011  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.244  -0.646   1.317  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.290  -0.526   0.310  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.508  -0.438   3.221  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.661  -0.874   1.113  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.893  -1.033   1.812  0.00  0.00    -0.481 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -5.700   0.231   0.828  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1       -4.661   0.097   1.752  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -4.445   1.096   2.705  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -5.238   2.244   2.708  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.260   2.389   1.770  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.497   1.383   0.831  0.00  0.00    +0.032 A 
BRANCH   7  13
ATOM     13  S   LIG    1       -5.977  -1.051  -0.350  0.00  0.00    +0.059 S 
ATOM     14  O   LIG    1       -4.779  -1.224  -1.143  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1       -6.669  -2.146   0.286  0.00  0.00    -0.153 OA
BRANCH  13  16
ATOM     16  N   LIG    1       -7.097  -0.407  -1.434  0.00  0.00    -0.203 NA
ATOM     17  H   LIG    1       -7.947  -0.972  -1.398  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -6.675  -0.368  -2.362  0.00  0.00    +0.144 HD
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        1.008  -0.237   1.942  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.206  -1.072   1.454  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.065  -2.420   1.929  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.109  -2.618   1.932  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.377  -1.114  -0.083  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.283   0.190  -0.764  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        3.438   1.067  -0.482  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        4.712   0.712  -1.218  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        4.676  -0.034  -2.410  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        5.867  -0.316  -3.091  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.085   0.157  -2.606  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.123   0.912  -1.435  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.369  -0.587  -2.920  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.943   1.192  -0.746  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        2.149   0.039  -2.226  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10