REMARK  Name = BDB064248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.426   1.666  -0.663  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.843   0.589  -0.622  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1        2.475  -0.629  -0.777  0.00  0.00    -0.297 N 
ATOM      4  H   LIG    1        1.895  -1.439  -0.954  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.367   0.543  -0.442  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -0.395   1.619  -0.894  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.788   1.609  -0.744  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -2.466   0.541  -0.131  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -1.668  -0.519   0.334  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.273  -0.525   0.187  0.00  0.00    +0.015 A 
BRANCH   8  11
ATOM     11  N   LIG    1       -3.847   0.539   0.014  0.00  0.00    -0.330 N 
ATOM     12  C   LIG    1       -4.689   1.340  -0.882  0.00  0.00    +0.107 C 
ATOM     13  C   LIG    1       -6.066   0.704  -1.017  0.00  0.00    +0.050 C 
ATOM     14  C   LIG    1       -6.763   0.617   0.337  0.00  0.00    +0.118 C 
ATOM     15  C   LIG    1       -5.804   0.358   1.498  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1       -4.500  -0.286   1.035  0.00  0.00    +0.107 C 
BRANCH  14  17
ATOM     17  O   LIG    1       -7.765  -0.399   0.290  0.00  0.00    -0.392 OA
ATOM     18  H   LIG    1       -7.334  -1.244   0.074  0.00  0.00    +0.210 HD
ENDBRANCH  14  17
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        3.958  -0.735  -1.017  0.00  0.00    +0.106 C 
ATOM     20  C   LIG    1        4.317  -2.018  -1.836  0.00  0.00    +0.192 C 
ATOM     21  O   LIG    1        4.309  -1.278  -3.080  0.00  0.00    -0.375 OA
ATOM     22  C   LIG    1        4.416  -0.033  -2.336  0.00  0.00    +0.192 C 
BRANCH  19  23
ATOM     23  C   LIG    1        4.809  -0.488   0.321  0.00  0.00    -0.020 A 
ATOM     24  C   LIG    1        5.110  -1.533   1.221  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        5.846  -1.319   2.392  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.294  -0.040   2.700  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        7.196   0.229   4.139  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        6.008   1.021   1.851  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.274   0.795   0.682  0.00  0.00    +0.007 A 
ENDBRANCH  19  23
ENDBRANCH   3  19
TORSDOF 5