REMARK  Name = BDB052230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.600  -0.403   2.134  0.00  0.00    -0.066 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.591   0.463   1.161  0.00  0.00    +0.192 A 
ATOM      3  N   LIG    1        1.402  -0.263   0.382  0.00  0.00    -0.207 NA
ATOM      4  C   LIG    1        2.337   0.384  -0.332  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        2.441   1.754  -0.302  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1        1.558   2.394   0.526  0.00  0.00    +0.135 A 
ATOM      7 CL   LIG    1        1.562   4.104   0.660  0.00  0.00    -0.062 Cl
ATOM      8  N   LIG    1        0.622   1.794   1.280  0.00  0.00    -0.210 NA
BRANCH   4   9
ATOM      9  N   LIG    1        3.141  -0.417  -1.144  0.00  0.00    -0.299 N 
ATOM     10  H   LIG    1        2.840  -1.386  -1.058  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.475  -0.299  -1.571  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        5.401   0.580  -0.996  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        6.707   0.672  -1.490  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        7.099  -0.113  -2.570  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        8.703   0.003  -3.177  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        6.196  -0.992  -3.158  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        4.893  -1.082  -2.659  0.00  0.00    +0.025 A 
ENDBRANCH   9  11
ENDBRANCH   4   9
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -2.080   0.644   1.799  0.00  0.00    +0.193 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.274  -0.269   1.497  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.692  -0.552   0.155  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -4.804  -1.415  -0.043  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -5.259  -1.709  -1.339  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -4.630  -1.178  -2.461  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.532  -0.347  -2.299  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.457  -1.989   1.055  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -5.026  -1.741   2.352  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.070  -0.042  -1.014  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -3.942  -0.899   2.569  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
BRANCH  18  30
ATOM     29  O   LIG    1       -3.290   1.767   3.632  0.00  0.00    -0.249 OA
ATOM     30  C   LIG    1       -2.280   1.648   2.950  0.00  0.00    +0.323 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -1.229   2.489   3.148  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -0.473   2.346   2.535  0.00  0.00    +0.295 HD
ENDBRANCH  30  31
ENDBRANCH  18  30
ENDBRANCH   1  18
TORSDOF 7