REMARK  Name = BDB033997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.543   0.504  -0.400  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.032   2.897   0.057  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.101   1.591   0.482  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        0.548   1.327   1.300  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        1.451   3.271  -1.033  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        0.337   5.256   0.610  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        0.395   3.815   1.082  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1        3.073   0.550  -0.579  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.545  -0.356  -1.675  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1        3.700   0.227  -3.282  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.240  -1.325  -3.796  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        4.263  -2.183  -2.694  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        4.678  -3.518  -2.881  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        5.055  -3.956  -4.155  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        5.022  -3.079  -5.235  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1        5.490  -3.639  -6.795  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        4.616  -1.751  -5.080  0.00  0.00    +0.037 A 
ATOM     18  N   LIG    1        3.862  -1.620  -1.495  0.00  0.00    -0.244 NA
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        1.085  -0.872   0.152  0.00  0.00    +0.126 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -0.362  -1.018   0.221  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1       -0.791  -1.830  -0.221  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1       -1.130  -0.488   1.239  0.00  0.00    +0.230 C 
ATOM     23  O   LIG    1       -0.678   0.286   2.079  0.00  0.00    -0.274 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -2.617  -0.937   1.156  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.396  -0.570   2.442  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -3.676   0.940   2.533  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.961   1.166   1.735  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -5.646  -0.195   1.637  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -4.823  -1.126   2.516  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
BRANCH  24  30
ATOM     30  N   LIG    1       -2.618  -2.395   0.876  0.00  0.00    -0.320 NA
ATOM     31  H   LIG    1       -2.356  -2.888   1.732  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1       -3.570  -2.693   0.667  0.00  0.00    +0.119 HD
ENDBRANCH  24  30
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9