REMARK  Name = BDB033998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.245   2.237   0.032  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.897   4.545  -0.622  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.641   3.616   0.369  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        1.336   3.989   1.261  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        1.955   4.258  -1.812  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        2.416   6.950  -1.170  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        2.106   5.944  -0.076  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1        2.436   1.453  -0.572  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.014   0.168  -1.223  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1        1.674   0.115  -2.904  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        1.327  -1.566  -2.786  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        1.495  -1.972  -1.461  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        1.266  -3.323  -1.128  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        0.873  -4.225  -2.122  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        0.711  -3.793  -3.435  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1        0.228  -4.921  -4.643  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        0.933  -2.462  -3.795  0.00  0.00    +0.037 A 
ATOM     18  N   LIG    1        1.862  -0.970  -0.575  0.00  0.00    -0.244 NA
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.688   1.530   1.296  0.00  0.00    +0.126 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -0.092   0.345   1.005  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1        0.429  -0.492   0.745  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1       -1.405   0.435   0.599  0.00  0.00    +0.230 C 
ATOM     23  O   LIG    1       -2.026   1.498   0.597  0.00  0.00    -0.274 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -2.035  -0.901   0.132  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.501  -1.753   1.323  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -1.365  -2.274   2.208  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -1.966  -3.449   2.974  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -3.196  -3.890   2.185  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -3.191  -3.057   0.911  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
BRANCH  24  30
ATOM     30  N   LIG    1       -3.175  -0.597  -0.762  0.00  0.00    -0.320 NA
ATOM     31  H   LIG    1       -2.834   0.005  -1.514  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1       -3.811   0.014  -0.241  0.00  0.00    +0.119 HD
ENDBRANCH  24  30
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9