REMARK  Name = BDB014508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.125   4.579  -0.083  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.031   3.890  -1.271  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.817   3.352  -1.422  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.175   5.077   0.314  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.192   4.687   0.689  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        1.971   3.495   0.671  0.00  0.00    -0.482 OA
BRANCH   6  13
ATOM      7  N   LIG    1        2.965  -1.354  -0.035  0.00  0.00    -0.177 NA
ATOM      8  C   LIG    1        2.118  -1.387   1.177  0.00  0.00    +0.144 C 
ATOM      9  C   LIG    1        1.569  -0.028   1.567  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        0.566   0.041   2.543  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        0.031   1.271   2.916  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        0.486   2.446   2.317  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        1.483   2.401   1.339  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1        2.050   1.162   0.981  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        3.111   1.086  -0.096  0.00  0.00    +0.056 C 
ATOM     16  C   LIG    1        3.907  -0.216  -0.040  0.00  0.00    +0.114 C 
BRANCH   7  18
ATOM     17  C   LIG    1        4.737  -3.319   0.575  0.00  0.00    +0.215 C 
ATOM     18  S   LIG    1        3.510  -2.834  -0.625  0.00  0.00    +0.029 S 
ATOM     19  O   LIG    1        2.414  -3.775  -0.546  0.00  0.00    -0.158 OA
ATOM     20  O   LIG    1        4.194  -2.586  -1.876  0.00  0.00    -0.158 OA
ENDBRANCH   7  18
ENDBRANCH   6  13
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  21
ATOM     21  C   LIG    1       -1.180   3.633  -2.129  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.147   2.548  -1.600  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.881   3.029  -0.464  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -2.426   3.822  -0.111  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -1.398   1.239  -1.249  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.206  -0.001  -1.325  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -1.318  -1.161  -1.085  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -2.038  -2.483  -0.939  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -3.405  -2.530  -0.622  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -4.041  -3.768  -0.457  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.316  -4.953  -0.577  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.954  -4.910  -0.869  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.194  -1.251  -0.528  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -1.317  -3.682  -1.047  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -3.304  -0.012  -0.345  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 9