REMARK  Name = BDB063457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.645   0.564  -0.175  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1       -0.381   0.006  -0.108  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.205  -0.790  -0.708  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -2.131   1.257   0.712  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  17
ATOM      5  C   LIG    1       -6.111   0.790   1.556  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1       -5.872   0.271   0.134  0.00  0.00    +0.074 C 
ATOM      7  N   LIG    1       -4.447   0.003  -0.032  0.00  0.00    -0.340 N 
ATOM      8  H   LIG    1       -3.872   0.571   0.611  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -3.843   0.003  -1.304  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -4.524  -0.358  -2.490  0.00  0.00    -0.019 A 
ATOM     11  C   LIG    1       -3.824  -0.377  -3.718  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.464  -0.094  -3.790  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.768   0.205  -2.629  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.997  -0.687  -2.557  0.00  0.00    +0.111 C 
ATOM     15  C   LIG    1       -6.490  -1.590  -1.454  0.00  0.00    +0.139 C 
ATOM     16  O   LIG    1       -6.824  -2.756  -1.690  0.00  0.00    -0.297 OA
ATOM     17  C   LIG    1       -2.439   0.232  -1.396  0.00  0.00    +0.058 A 
ATOM     18  C   LIG    1       -6.667  -1.012  -0.074  0.00  0.00    +0.096 C 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1        0.404   0.137   1.106  0.00  0.00    +0.123 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.845  -0.345   0.923  0.00  0.00    +0.123 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.611  -0.307   2.153  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        2.834  -1.185   2.610  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.180   0.861   2.615  0.00  0.00    +0.223 C 
ATOM     24  O   LIG    1        3.062   1.933   2.027  0.00  0.00    -0.275 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.992   0.709   3.890  0.00  0.00    +0.170 C 
BRANCH  25  26
ATOM     26  S   LIG    1        5.773   0.806   3.550  0.00  0.00    -0.108 S 
BRANCH  26  27
ATOM     27  C   LIG    1        5.996  -0.524   2.404  0.00  0.00    +0.059 C 
ATOM     28  S   LIG    1        5.594  -2.116   2.791  0.00  0.00    -0.044 S 
BRANCH  27  29
ATOM     29  C   LIG    1        6.642  -0.145   1.113  0.00  0.00    -0.004 A 
ATOM     30  C   LIG    1        6.158   0.936   0.362  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        6.765   1.280  -0.849  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.856   0.550  -1.316  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.346  -0.525  -0.576  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.743  -0.873   0.635  0.00  0.00    +0.009 A 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8