REMARK  Name = BDB019463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.156  -0.006  -2.040  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.919  -0.589  -1.885  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.180  -0.800  -0.641  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -0.083  -1.777  -1.049  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        0.260  -1.339  -2.474  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.077  -0.853  -3.042  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -3.603   0.252  -3.163  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.560   0.508  -0.102  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -0.046   0.397   1.172  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        0.013  -0.509   1.616  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.514   1.544  -0.759  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        0.695   1.478   1.786  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.176   1.245   1.635  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        2.915   0.637   2.658  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        4.283   0.399   2.497  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        4.936   0.759   1.311  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        4.195   1.358   0.285  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.827   1.597   0.445  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1        6.365   0.495   1.150  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        7.066  -0.704   1.177  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        6.499  -2.068   1.351  0.00  0.00    +0.067 C 
ATOM     22  N   LIG    1        8.439  -0.585   1.016  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1        8.757   0.680   0.862  0.00  0.00    +0.156 A 
ATOM     24  S   LIG    1        7.462   1.797   0.905  0.00  0.00    -0.075 S 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1        0.818  -2.423  -3.202  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1        0.132  -3.100  -3.327  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -3.998   0.308  -0.784  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.541   1.648  -0.991  0.00  0.00    -0.304 N 
ATOM     29  H   LIG    1       -4.663   1.950  -1.953  0.00  0.00    +0.149 HD
ATOM     30  C   LIG    1       -4.873   2.469   0.054  0.00  0.00    +0.211 C 
ATOM     31  O   LIG    1       -4.758   2.140   1.232  0.00  0.00    -0.276 OA
ATOM     32  C   LIG    1       -5.404   3.816  -0.353  0.00  0.00    +0.109 C 
ENDBRANCH  27  28
BRANCH  27  33
ATOM     33  C   LIG    1       -5.145  -0.706  -0.640  0.00  0.00    +0.031 C 
BRANCH  33  35
ATOM     34  C   LIG    1       -4.430  -2.042   1.402  0.00  0.00    +0.004 C 
ATOM     35  C   LIG    1       -4.724  -2.070  -0.090  0.00  0.00    -0.001 C 
ENDBRANCH  33  35
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 9