REMARK  Name = BDB023033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.730   1.612  -1.182  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.342   1.365  -2.650  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.638   0.216  -2.514  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.387   0.600  -1.241  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.393   1.173  -0.369  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.926  -1.777   1.738  0.00  0.00    -0.066 NA
ATOM      7  C   LIG    1        3.784  -1.186   1.561  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.403  -0.347   0.419  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        4.051   0.151  -0.739  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        3.145   0.938  -1.428  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.939   0.903  -0.759  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        2.125   0.161   0.370  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        1.236  -0.070   1.349  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        0.307   0.352   1.353  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        1.663  -0.824   2.411  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        2.830  -1.368   2.557  0.00  0.00    -0.215 NA
BRANCH   6  17
ATOM     17  O   LIG    1        5.851  -1.575   0.708  0.00  0.00    -0.408 OA
ATOM     18  H   LIG    1        6.619  -2.086   1.025  0.00  0.00    +0.328 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1       -0.365   2.485  -3.218  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.276   3.210  -3.341  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.507   0.089  -3.631  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -1.631   1.000  -3.975  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.100  -0.627  -0.633  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.699  -0.351   0.732  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1       -2.265  -1.079   1.853  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -2.798  -0.822   3.119  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -3.775   0.158   3.273  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -4.429   0.475   4.832  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -4.229   0.880   2.172  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -3.696   0.623   0.906  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  O   LIG    1       -3.156  -1.077  -1.485  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1       -2.823  -1.071  -2.405  0.00  0.00    +0.210 HD
ENDBRANCH  23  31
ENDBRANCH   4  23
TORSDOF 7