REMARK  Name = BDB032131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.312   0.343   1.847  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1       -0.896  -0.355   1.720  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.812   0.103   0.790  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -3.138  -0.432   0.464  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -3.706   0.428  -0.468  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.736   1.411  -0.946  0.00  0.00    +0.146 C 
ATOM      7  O   LIG    1       -3.609  -1.445   0.941  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.577   1.206  -0.027  0.00  0.00    -0.001 A 
ATOM      9  C   LIG    1       -0.383   1.900   0.073  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        0.562   1.464   1.017  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.938   0.098  -1.196  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.290   1.142  -2.267  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.664   1.246  -3.322  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.241   2.076  -1.934  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.394   2.809  -2.614  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.800   2.290  -0.700  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.430   3.317  -0.465  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.539   1.244   0.355  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.151  -0.084  -0.275  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   9  20
ATOM     20  C   LIG    1       -0.108   3.030  -0.761  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1        0.098   3.948  -1.439  0.00  0.00    -0.191 NA
ENDBRANCH   9  20
BRANCH   1  22
ATOM     22  C   LIG    1        1.361  -0.119   2.828  0.00  0.00    +0.269 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.449  -0.710   2.109  0.00  0.00    -0.445 OA
BRANCH  23  26
ATOM     24  N   LIG    1        3.440  -2.618   1.278  0.00  0.00    -0.251 N 
ATOM     25  H   LIG    1        3.340  -3.624   1.242  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        2.415  -2.057   1.991  0.00  0.00    +0.405 C 
ATOM     27  O   LIG    1        1.542  -2.772   2.473  0.00  0.00    -0.226 OA
BRANCH  24  33
ATOM     28  C   LIG    1        8.033  -0.644  -1.550  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1        6.833  -1.159  -0.808  0.00  0.00    -0.032 A 
ATOM     30  C   LIG    1        6.534  -2.524  -0.731  0.00  0.00    +0.046 A 
ATOM     31 CL   LIG    1        7.534  -3.712  -1.489  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        5.405  -2.970  -0.033  0.00  0.00    +0.043 A 
ATOM     33  C   LIG    1        4.547  -2.065   0.606  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1        4.844  -0.706   0.530  0.00  0.00    +0.024 A 
ATOM     35  C   LIG    1        5.973  -0.257  -0.169  0.00  0.00    +0.006 A 
ENDBRANCH  24  33
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6