REMARK  Name = BDB009623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.898  -0.840   0.076  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -0.373   0.542   0.174  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.608   0.902  -0.980  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.496  -0.259  -1.459  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.386  -1.572  -0.671  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1        2.147  -1.517   0.667  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.086  -1.887  -0.366  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.489  -3.050  -0.424  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.476   1.610   0.214  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.451   1.692  -0.797  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.437   2.679  -0.756  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.456   3.595   0.292  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -4.671   4.812   0.342  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -2.497   3.534   1.300  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.510   2.546   1.262  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        1.440   2.149  -0.677  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.363   2.187   0.379  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.097   3.347   0.635  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        4.218   3.370   1.941  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        2.926   4.482  -0.150  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.014   4.458  -1.203  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        1.277   3.301  -1.464  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.123  -1.210   0.853  0.00  0.00    +0.076 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.574  -1.557   0.191  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -3.129  -1.994  -0.021  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -1.730  -1.930   2.166  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -2.886  -2.137   3.132  0.00  0.00    +0.006 C 
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  C   LIG    1        1.947  -2.748  -1.528  0.00  0.00    +0.091 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.403  -2.618  -1.887  0.00  0.00    +0.120 A 
ATOM     30  N   LIG    1        4.318  -3.235  -1.104  0.00  0.00    -0.303 N 
ATOM     31  H   LIG    1        4.117  -3.826  -0.314  0.00  0.00    +0.171 HD
ATOM     32  C   LIG    1        5.591  -3.054  -1.521  0.00  0.00    +0.307 A 
ATOM     33  O   LIG    1        6.602  -3.514  -1.021  0.00  0.00    -0.258 OA
ATOM     34  S   LIG    1        5.509  -2.025  -2.937  0.00  0.00    +0.074 S 
ATOM     35  N   LIG    1        3.816  -1.926  -2.901  0.00  0.00    -0.192 NA
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7