REMARK  Name = BDB033948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.085  -1.079   0.066  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.141   1.385   0.440  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.441   0.109   0.862  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        2.276   0.018   1.438  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        0.399   1.610  -0.512  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        1.346   3.855   0.888  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        1.804   2.462   1.276  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.412  -1.419   0.245  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -1.268  -0.506  -0.333  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -0.857   0.379  -0.637  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.805  -2.416   0.846  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.729  -0.595  -0.210  0.00  0.00    +0.091 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.352   0.795  -0.449  0.00  0.00    +0.058 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.815   0.888  -0.087  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1       -5.201   1.103   1.245  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -6.553   1.181   1.587  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.530   1.041   0.604  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -7.157   0.823  -0.722  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.807   0.748  -1.068  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
BRANCH  12  20
ATOM     20  C   LIG    1       -3.283  -1.691  -1.161  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.897  -1.509  -2.569  0.00  0.00    -0.328 NA
ATOM     22  H   LIG    1       -3.234  -0.607  -2.902  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1       -1.880  -1.443  -2.601  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        1.929  -2.301   0.463  0.00  0.00    +0.094 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.386  -2.033   0.234  0.00  0.00    +0.082 A 
ATOM     26  S   LIG    1        4.205  -2.700  -1.115  0.00  0.00    -0.072 S 
ATOM     27  C   LIG    1        5.644  -1.874  -0.653  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        5.396  -1.156   0.519  0.00  0.00    +0.079 A 
ATOM     29  C   LIG    1        6.442  -0.401   1.089  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        7.698  -0.377   0.471  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        7.914  -1.099  -0.699  0.00  0.00    +0.019 A 
ATOM     32 BR   LIG    1        9.617  -1.040  -1.524  0.00  0.00    -0.050 Br
ATOM     33  C   LIG    1        6.900  -1.861  -1.284  0.00  0.00    +0.032 A 
ATOM     34  N   LIG    1        4.104  -1.247   1.009  0.00  0.00    -0.244 NA
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10