REMARK  Name = BDB033940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.739   2.188   0.486  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -3.208   4.023   1.292  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.008   3.602   0.774  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -1.197   4.217   0.795  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -4.164   3.271   1.444  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -4.558   5.948   2.199  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -3.222   5.499   1.633  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.203   2.061   0.367  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        0.280   0.778   0.268  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.395   0.065  -0.016  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.530   3.053   0.380  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        1.668   0.509  -0.111  0.00  0.00    +0.087 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.038  -0.933   0.306  0.00  0.00    +0.027 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.423  -1.059   0.988  0.00  0.00    -0.009 C 
ATOM     15  C   LIG    1        3.610  -2.472   1.589  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1        4.614  -3.353   0.841  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        4.532  -3.148  -0.663  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1        4.815  -1.700  -1.063  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1        4.600  -0.698   0.073  0.00  0.00    +0.003 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
BRANCH  12  20
ATOM     20  C   LIG    1        1.854   0.780  -1.631  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  N   LIG    1        0.869   0.094  -2.480  0.00  0.00    -0.328 NA
ATOM     22  H   LIG    1        0.956  -0.915  -2.371  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1        1.077   0.295  -3.457  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  12  20
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1       -2.442   1.733  -0.803  0.00  0.00    +0.094 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.805   0.275  -0.759  0.00  0.00    +0.082 A 
ATOM     26  S   LIG    1       -4.343  -0.255  -1.307  0.00  0.00    -0.072 S 
ATOM     27  C   LIG    1       -3.920  -1.882  -0.938  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -2.622  -1.906  -0.425  0.00  0.00    +0.079 A 
ATOM     29  C   LIG    1       -2.060  -3.144  -0.051  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -2.808  -4.318  -0.199  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -4.099  -4.264  -0.714  0.00  0.00    +0.042 A 
ATOM     32 CL   LIG    1       -5.001  -5.721  -0.890  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -4.681  -3.052  -1.093  0.00  0.00    +0.037 A 
ATOM     34  N   LIG    1       -1.997  -0.674  -0.332  0.00  0.00    -0.244 NA
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10