REMARK  Name = BDB033702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.259   0.497   0.130  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.746   1.048   0.823  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -3.067  -1.971  -1.599  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -3.351  -1.073  -0.598  0.00  0.00    +0.237 A 
ATOM      5  N   LIG    1       -2.425  -0.268  -0.037  0.00  0.00    -0.178 NA
ATOM      6  C   LIG    1       -1.165  -0.357  -0.488  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1       -0.800  -1.207  -1.459  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -1.755  -1.996  -1.995  0.00  0.00    +0.138 A 
BRANCH   3  10
ATOM      9  N   LIG    1       -4.812  -3.529  -2.693  0.00  0.00    -0.191 NA
ATOM     10  C   LIG    1       -4.041  -2.821  -2.191  0.00  0.00    +0.106 C 
ENDBRANCH   3  10
BRANCH   4  11
ATOM     11  O   LIG    1       -4.659  -1.000  -0.161  0.00  0.00    -0.470 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -4.932  -0.045   0.878  0.00  0.00    +0.203 C 
ATOM     13  C   LIG    1       -6.182  -0.539   1.638  0.00  0.00    +0.155 C 
ATOM     14  C   LIG    1       -7.442  -0.491   0.767  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1       -7.666   0.893   0.160  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1       -6.436   1.380  -0.601  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -5.182   1.347   0.273  0.00  0.00    +0.047 C 
BRANCH  13  18
ATOM     18  O   LIG    1       -6.380   0.257   2.808  0.00  0.00    -0.388 OA
ATOM     19  H   LIG    1       -7.160  -0.095   3.272  0.00  0.00    +0.210 HD
ENDBRANCH  13  18
ENDBRANCH  11  12
ENDBRANCH   4  11
ENDBRANCH   1   6
BRANCH   1  20
ATOM     20  C   LIG    1        1.106   0.758  -0.037  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        1.911   0.124  -0.991  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        3.274   0.421  -1.105  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.852   1.356  -0.247  0.00  0.00    +0.105 A 
ATOM     24  C   LIG    1        3.074   2.010   0.706  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        1.713   1.705   0.808  0.00  0.00    +0.025 A 
BRANCH  23  26
ATOM     26  S   LIG    1        5.571   1.746  -0.409  0.00  0.00    +0.059 S 
ATOM     27  O   LIG    1        5.830   2.993   0.276  0.00  0.00    -0.153 OA
ATOM     28  O   LIG    1        5.971   1.527  -1.781  0.00  0.00    -0.153 OA
BRANCH  26  29
ATOM     29  N   LIG    1        6.278   0.544   0.550  0.00  0.00    -0.187 NA
ATOM     30  H   LIG    1        6.705   0.987   1.366  0.00  0.00    +0.148 HD
BRANCH  29  31
ATOM     31  C   LIG    1        6.979  -0.653  -0.006  0.00  0.00    +0.082 C 
ATOM     32  C   LIG    1        7.550  -1.652   1.023  0.00  0.00    +0.057 C 
ATOM     33  C   LIG    1        8.924  -0.972   0.853  0.00  0.00    +0.169 C 
ATOM     34  F   LIG    1        9.990  -1.800   0.815  0.00  0.00    -0.245 F 
ATOM     35  C   LIG    1        8.425  -0.448  -0.509  0.00  0.00    +0.057 C 
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  23  26
ENDBRANCH   1  20
TORSDOF 9