REMARK  Name = BDB018541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.862   2.516  -0.098  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.577   2.250  -0.269  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.429   3.283  -0.115  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.006   4.569   0.174  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -2.008   5.617   0.305  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.336   4.893   0.313  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        0.774   6.017   0.539  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.287   3.763   0.176  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.831  -0.523  -0.188  0.00  0.00    +0.119 A 
ATOM     10  N   LIG    1        2.951  -0.480   0.830  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        2.021   0.505   0.829  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        1.911   1.479  -0.157  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.825   1.421  -1.206  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.787   0.411  -1.222  0.00  0.00    +0.044 A 
BRANCH   9  15
ATOM     15  N   LIG    1        4.802  -1.536  -0.262  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        5.710  -1.098  -0.385  0.00  0.00    +0.147 HD
BRANCH  15  18
ATOM     17  C   LIG    1        3.772  -3.581   0.640  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        4.815  -2.492   0.843  0.00  0.00    +0.099 C 
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1       -1.067   0.943  -0.593  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.055   0.253   0.073  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.190  -0.975  -0.542  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -1.405  -1.036  -1.653  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -0.699   0.094  -1.646  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.024  -2.093  -0.210  0.00  0.00    +0.084 A 
ATOM     25  C   LIG    1       -3.664  -2.276   1.035  0.00  0.00    +0.095 A 
ATOM     26  C   LIG    1       -4.490  -3.406   1.216  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -5.330  -3.707   2.704  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -4.666  -4.348   0.200  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -4.012  -4.187  -1.013  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.197  -3.074  -1.215  0.00  0.00    +0.029 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -3.462  -1.410   2.160  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -3.299  -0.704   3.067  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  21  24
ENDBRANCH   2  19
TORSDOF 6