REMARK  Name = BDB027535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.868  -1.666  -1.132  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.870  -2.042  -0.252  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.380  -2.597  -0.757  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.237  -2.840   0.494  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.168  -3.175   1.542  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.996  -2.258   1.183  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.765  -1.788  -2.350  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.563  -0.096   0.382  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        4.347   0.442   0.811  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.134  -0.060   0.323  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.132  -1.121  -0.585  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        4.341  -1.647  -1.041  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.550  -1.140  -0.555  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.081   1.333   1.763  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        6.825   0.355   0.824  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        7.622  -0.104   0.404  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.261   1.977   2.405  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.995   2.444   2.842  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.546   1.549   1.952  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -1.966  -1.645   0.922  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.406  -0.800   0.990  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.051  -1.297   0.130  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -3.295   0.017   0.041  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -4.327   0.417  -0.712  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1       -5.144  -0.484  -1.400  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -6.227  -0.040  -2.185  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -6.503   1.321  -2.278  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -5.696   2.219  -1.581  0.00  0.00    +0.090 A 
ATOM     29  C   LIG    1       -4.799  -1.815  -1.247  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -4.610   1.770  -0.819  0.00  0.00    +0.055 A 
ATOM     31  N   LIG    1       -3.766  -2.239  -0.495  0.00  0.00    -0.222 NA
BRANCH  28  32
ATOM     32  S   LIG    1       -6.010   3.964  -1.687  0.00  0.00    -0.006 S 
ATOM     33  O   LIG    1       -4.724   4.630  -1.720  0.00  0.00    -0.170 OA
ATOM     34  O   LIG    1       -6.984   4.169  -2.742  0.00  0.00    -0.170 OA
ATOM     35  C   LIG    1       -6.796   4.336  -0.141  0.00  0.00    +0.200 C 
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6