REMARK  Name = BDB052380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.445  -2.139   0.783  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -0.164  -2.523   0.347  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        0.849  -2.794   1.267  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        0.565  -2.722   2.633  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.706  -2.362   3.080  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.706  -2.064   2.158  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.516  -1.768  -0.215  0.00  0.00    +0.147 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -3.901   0.205   0.204  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1       -2.721  -0.327  -0.275  0.00  0.00    -0.252 N 
ATOM     10  O   LIG    1       -4.761  -0.442   0.790  0.00  0.00    -0.226 OA
BRANCH   8  12
ATOM     11  C   LIG    1       -5.218   2.130   0.429  0.00  0.00    +0.282 C 
ATOM     12  O   LIG    1       -4.008   1.539  -0.048  0.00  0.00    -0.454 OA
ENDBRANCH   8  12
BRANCH   9  13
ATOM     13  C   LIG    1       -1.737   0.489  -0.995  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.991   0.601  -2.492  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -1.314   1.252  -3.275  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -3.041  -0.110  -2.950  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -3.072   0.098  -3.907  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  O   LIG    1        2.142  -3.124   0.973  0.00  0.00    -0.486 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.580  -3.067  -0.392  0.00  0.00    +0.285 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.660  -1.684  -0.975  0.00  0.00    +0.086 A 
ATOM     21  N   LIG    1        3.011  -0.613  -0.165  0.00  0.00    -0.241 NA
ATOM     22  C   LIG    1        2.999   0.514  -0.848  0.00  0.00    +0.110 A 
ATOM     23  S   LIG    1        2.529   0.355  -2.496  0.00  0.00    -0.075 S 
ATOM     24  C   LIG    1        2.395  -1.339  -2.288  0.00  0.00    +0.074 A 
BRANCH  22  25
ATOM     25  C   LIG    1        3.221   1.835  -0.256  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        4.224   2.725  -0.673  0.00  0.00    +0.051 A 
ATOM     27 CL   LIG    1        5.366   2.335  -1.914  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        4.361   3.975  -0.056  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        3.513   4.344   0.989  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        2.532   3.462   1.429  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        2.391   2.216   0.815  0.00  0.00    +0.012 A 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 10