REMARK  Name = BDB018148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.005   0.726   0.524  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.027   2.004  -0.341  0.00  0.00    +0.198 C 
ATOM      3  C   LIG    1       -1.249   1.796  -1.239  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -0.862   1.085  -2.538  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -2.149   0.969  -0.312  0.00  0.00    +0.188 C 
ATOM      6  O   LIG    1       -1.249   0.019   0.290  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  12
ATOM      7  N   LIG    1        5.461  -1.688  -0.067  0.00  0.00    -0.066 NA
ATOM      8  C   LIG    1        4.681  -0.721   0.283  0.00  0.00    +0.182 A 
ATOM      9  C   LIG    1        3.247  -0.837   0.114  0.00  0.00    +0.064 A 
ATOM     10  C   LIG    1        2.411  -1.861  -0.390  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        1.111  -1.405  -0.296  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1        1.132  -0.138   0.237  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1        2.433   0.220   0.497  0.00  0.00    +0.148 A 
ATOM     14  N   LIG    1        2.802   1.421   1.034  0.00  0.00    -0.220 NA
ATOM     15  C   LIG    1        4.096   1.484   1.174  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        4.993   0.501   0.832  0.00  0.00    -0.328 N 
ATOM     17  H   LIG    1        5.981   0.646   0.983  0.00  0.00    +0.168 HD
BRANCH   7  19
ATOM     18  C   LIG    1        7.625  -2.432  -0.197  0.00  0.00    +0.313 C 
ATOM     19  O   LIG    1        6.799  -1.340   0.195  0.00  0.00    -0.395 OA
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  O   LIG    1       -0.254   3.178   0.469  0.00  0.00    -0.384 OA
ATOM     21  H   LIG    1        0.553   3.285   1.013  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -1.874   3.034  -1.588  0.00  0.00    -0.383 OA
ATOM     23  H   LIG    1       -1.609   3.663  -0.880  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   5  24
ATOM     24  C   LIG    1       -3.357   0.305  -1.007  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.239  -0.428  -0.007  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -5.344   0.195   0.597  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -6.128  -0.488   1.530  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.810  -1.800   1.872  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -6.773  -2.641   3.024  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -4.715  -2.434   1.291  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -3.932  -1.750   0.356  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1       -4.157   1.267  -1.704  0.00  0.00    -0.384 OA
ATOM     33  H   LIG    1       -3.578   2.001  -1.992  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   5  24
TORSDOF 7