REMARK  Name = BDB014529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.800  -4.008  -0.002  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.295  -2.729   0.042  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.991  -2.003  -0.120  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.104  -5.016  -0.087  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.323  -4.051   0.099  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -2.836  -2.839  -0.469  0.00  0.00    -0.481 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -4.463  -1.404   0.552  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -4.130  -2.586  -0.116  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -5.145  -3.461  -0.520  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -6.478  -3.175  -0.220  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.806  -2.014   0.475  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.803  -1.124   0.858  0.00  0.00    +0.032 A 
BRANCH   7  13
ATOM     13  S   LIG    1       -3.210  -0.276   1.110  0.00  0.00    +0.062 S 
ATOM     14  O   LIG    1       -3.874   0.803   1.812  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1       -2.173  -1.048   1.757  0.00  0.00    -0.153 OA
BRANCH  13  17
ATOM     16  C   LIG    1       -3.341   1.158  -1.191  0.00  0.00    +0.127 C 
ATOM     17  N   LIG    1       -2.561   0.340  -0.293  0.00  0.00    -0.193 NA
ATOM     18  H   LIG    1       -1.594   0.088  -0.529  0.00  0.00    +0.148 HD
ENDBRANCH  13  17
ENDBRANCH   7  13
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        1.061  -2.412  -0.335  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.355  -0.927  -0.089  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        0.371  -0.105  -0.758  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        0.839   0.751  -0.883  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.758  -0.561  -0.609  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.012   0.899  -0.550  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        3.210   1.349   0.850  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        3.712   2.777   0.976  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        4.319   3.431  -0.107  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        4.777   4.746   0.042  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.694   5.387   1.279  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.117   4.728   2.363  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.401   2.744  -1.445  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        3.628   3.432   2.211  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.216   1.226  -1.336  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10