REMARK  Name = BDB036479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.791  -0.646  -0.697  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        1.004   0.204  -1.518  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -0.302  -0.150  -1.900  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -0.845  -1.365  -1.440  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -0.040  -2.173  -0.656  0.00  0.00    +0.171 A 
ATOM      6  O   LIG    1       -0.708  -3.312  -0.342  0.00  0.00    -0.353 OA
ATOM      7  N   LIG    1       -1.967  -3.278  -0.906  0.00  0.00    -0.061 NA
ATOM      8  C   LIG    1       -2.056  -2.104  -1.542  0.00  0.00    +0.188 A 
ATOM      9  C   LIG    1        1.259  -1.865  -0.258  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        3.080  -0.197  -0.322  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        3.403   0.526  -0.963  0.00  0.00    +0.154 HD
BRANCH  10  14
ATOM     12  N   LIG    1        5.816  -0.710   1.656  0.00  0.00    -0.270 N 
ATOM     13  N   LIG    1        5.256  -0.184   0.555  0.00  0.00    -0.156 NA
ATOM     14  C   LIG    1        3.975  -0.560   0.617  0.00  0.00    +0.145 A 
ATOM     15  C   LIG    1        3.721  -1.288   1.803  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1        4.933  -1.380   2.446  0.00  0.00    +0.110 A 
BRANCH  12  18
ATOM     17  C   LIG    1        7.527   0.819   2.555  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1        7.232  -0.520   1.903  0.00  0.00    +0.140 C 
ENDBRANCH  12  18
ENDBRANCH  10  14
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1        1.635   1.365  -1.913  0.00  0.00    -0.493 OA
ATOM     20  C   LIG    1        0.854   2.320  -2.623  0.00  0.00    +0.277 C 
ENDBRANCH   2  19
BRANCH   8  21
ATOM     21  N   LIG    1       -3.257  -1.808  -2.176  0.00  0.00    -0.196 N 
ATOM     22  H   LIG    1       -3.981  -2.510  -2.032  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -3.929  -0.277  -2.283  0.00  0.00    +0.081 S 
ATOM     24  O   LIG    1       -5.350  -0.458  -2.504  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -3.146   0.460  -3.253  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.747   0.429  -0.662  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -3.187   1.701  -0.488  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -2.989   2.211   0.797  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -3.397   1.480   1.907  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -3.995   0.231   1.740  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -4.173  -0.309   0.459  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -2.745   2.474  -1.525  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -3.773   3.368  -1.959  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -4.757  -1.527   0.230  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -4.970  -2.385   1.346  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 9