REMARK  Name = BDB034160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.077  -0.606  -1.919  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.468  -1.530  -0.842  0.00  0.00    +0.090 C 
ATOM      3  C   LIG    1        1.674  -1.054  -0.016  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        2.800  -0.478  -0.863  0.00  0.00    -0.034 C 
ATOM      5  C   LIG    1        2.545  -0.201  -2.160  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1        1.215  -0.418  -2.831  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.107  -0.212  -0.324  0.00  0.00    +0.035 A 
ATOM      8  S   LIG    1        5.576  -0.419  -1.213  0.00  0.00    -0.063 S 
ATOM      9  C   LIG    1        6.484   0.057   0.153  0.00  0.00    +0.163 A 
ATOM     10  N   LIG    1        5.790   0.343   1.239  0.00  0.00    -0.242 NA
ATOM     11  C   LIG    1        4.445   0.181   0.965  0.00  0.00    +0.127 A 
BRANCH   9  12
ATOM     12  C   LIG    1        7.944   0.128   0.106  0.00  0.00    +0.269 C 
ATOM     13  N   LIG    1        8.505   0.553   1.298  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        7.863   0.666   2.078  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        9.925   0.571   1.516  0.00  0.00    +0.128 C 
ATOM     16  O   LIG    1        8.635  -0.161  -0.870  0.00  0.00    -0.268 OA
ENDBRANCH   9  12
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.435   0.687  -1.434  0.00  0.00    +0.121 C 
BRANCH  17  27
ATOM     18  C   LIG    1       -6.384  -0.244   1.056  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1       -6.334  -0.894  -0.296  0.00  0.00    +0.252 A 
ATOM     20  O   LIG    1       -7.300  -1.486  -0.766  0.00  0.00    -0.268 OA
ATOM     21  N   LIG    1       -5.155  -0.801  -0.990  0.00  0.00    -0.321 N 
ATOM     22  H   LIG    1       -5.136  -1.243  -1.899  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -4.022  -0.151  -0.490  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.059   0.442   0.770  0.00  0.00    +0.088 A 
ATOM     25  N   LIG    1       -3.012   1.086   1.329  0.00  0.00    -0.253 NA
ATOM     26  C   LIG    1       -1.879   1.136   0.591  0.00  0.00    +0.116 A 
ATOM     27  C   LIG    1       -1.735   0.569  -0.676  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1       -2.846  -0.083  -1.226  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1       -5.293   0.372   1.545  0.00  0.00    +0.038 A 
BRANCH  18  31
ATOM     30  C   LIG    1       -8.725   0.630   1.328  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -7.672  -0.351   1.824  0.00  0.00    +0.037 C 
ENDBRANCH  18  31
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 5