REMARK  Name = BDB003186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.058  -0.471  -1.934  0.00  0.00    +0.036 C 
ATOM      2  C   LIG    1        0.528   0.091  -0.798  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -4.090  -1.081  -2.750  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -3.480   0.139  -3.055  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.121   0.339  -2.806  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -1.357  -0.688  -2.246  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1       -1.962  -1.910  -1.942  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -3.325  -2.106  -2.193  0.00  0.00    +0.046 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -6.088  -2.369  -2.775  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1       -5.426  -1.138  -3.038  0.00  0.00    -0.495 OA
ENDBRANCH   3  10
ENDBRANCH   1   6
BRANCH   2  11
ATOM     11  C   LIG    1        2.041   0.188  -0.761  0.00  0.00    +0.258 C 
ATOM     12  N   LIG    1        2.640   0.111   0.466  0.00  0.00    -0.310 N 
ATOM     13  H   LIG    1        2.058   0.331   1.271  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1        2.694   0.276  -1.802  0.00  0.00    -0.269 OA
BRANCH  12  15
ATOM     15  C   LIG    1        4.067   0.292   0.632  0.00  0.00    +0.105 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.841  -0.981   0.287  0.00  0.00    +0.030 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.351  -0.754   0.253  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.949  -0.513   1.619  0.00  0.00    +0.305 C 
ATOM     19  O   LIG    1        6.355  -0.605   2.680  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1        8.261  -0.187   1.552  0.00  0.00    -0.481 OA
ATOM     21  H   LIG    1        8.613  -0.159   0.642  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   2  11
BRANCH   2  22
ATOM     22  N   LIG    1       -0.356   0.509   0.186  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1       -1.332   0.329  -0.029  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -0.134   1.175   1.368  0.00  0.00    +0.250 C 
ATOM     25  O   LIG    1        0.962   1.490   1.816  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -1.347   1.586   2.131  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1       -2.497   0.800   2.288  0.00  0.00    +0.053 A 
ATOM     28 CL   LIG    1       -2.648  -0.801   1.656  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -3.586   1.294   3.018  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -3.532   2.561   3.601  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -2.386   3.339   3.465  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -1.298   2.854   2.738  0.00  0.00    +0.014 A 
ENDBRANCH  24  26
ENDBRANCH   2  22
TORSDOF 10