REMARK  Name = BDB047437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.335  -1.134   0.211  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1        0.645  -1.631  -0.661  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1        1.851  -1.716   0.035  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        2.992  -2.158  -0.666  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.854  -2.465  -2.018  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.607  -2.320  -2.599  0.00  0.00    +0.132 A 
ATOM      7 CL   LIG    1        1.388  -2.681  -4.268  0.00  0.00    -0.062 Cl
ATOM      8  C   LIG    1        1.573  -1.312   1.360  0.00  0.00    +0.170 A 
ATOM      9  N   LIG    1        0.485  -1.907  -1.978  0.00  0.00    -0.217 NA
ATOM     10  C   LIG    1        0.214  -1.096   1.495  0.00  0.00    +0.176 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.185   0.318  -0.984  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1       -3.483   0.897   0.086  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -2.227   0.415   0.483  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -1.632  -0.666  -0.181  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1       -2.310  -1.247  -1.255  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.570  -0.766  -1.641  0.00  0.00    +0.006 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -6.609  -0.302  -1.262  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -5.565   0.820  -1.447  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1       -5.504   1.216  -2.939  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -6.077   2.054  -0.670  0.00  0.00    +0.015 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH  10  21
ATOM     21  C   LIG    1       -0.482  -0.900   2.733  0.00  0.00    +0.358 C 
ATOM     22  O   LIG    1       -0.082  -0.327   3.734  0.00  0.00    -0.243 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -1.680  -1.512   2.734  0.00  0.00    -0.476 OA
ATOM     24  H   LIG    1       -2.027  -1.336   3.630  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  10  21
BRANCH   8  25
ATOM     25  O   LIG    1        2.423  -1.269   2.412  0.00  0.00    -0.453 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.598  -0.550   2.356  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1        3.795   0.551   1.522  0.00  0.00    +0.073 A 
ATOM     28  C   LIG    1        5.019   1.234   1.567  0.00  0.00    +0.091 A 
ATOM     29  C   LIG    1        6.023   0.859   2.467  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        5.811  -0.235   3.306  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.603  -0.938   3.249  0.00  0.00    +0.046 A 
BRANCH  28  32
ATOM     32  S   LIG    1        5.269   2.640   0.508  0.00  0.00    -0.006 S 
ATOM     33  O   LIG    1        3.961   3.195   0.209  0.00  0.00    -0.170 OA
ATOM     34  O   LIG    1        6.312   3.463   1.099  0.00  0.00    -0.170 OA
ATOM     35  C   LIG    1        5.916   1.911  -0.977  0.00  0.00    +0.200 C 
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 7