REMARK  Name = BDB023493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.460   0.989   0.263  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        1.602   1.290  -0.811  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.266   0.947  -0.705  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.816   1.137  -1.677  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1       -1.990   0.700  -1.084  0.00  0.00    -0.256 N 
ATOM      6  C   LIG    1       -1.738   0.060   0.205  0.00  0.00    +0.192 C 
ATOM      7  O   LIG    1       -0.659   1.563  -2.805  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.260   0.310   0.414  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        0.560  -0.002   1.485  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.917   0.340   1.403  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.022  -1.456   0.175  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.507  -2.276  -0.852  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.757  -3.651  -0.873  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.518  -4.232   0.137  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -2.827  -5.924   0.109  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.028  -3.451   1.169  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.778  -2.076   1.190  0.00  0.00    +0.010 A 
ENDBRANCH   6  11
BRANCH   1  18
ATOM     18  C   LIG    1        3.948   1.336   0.204  0.00  0.00    +0.111 C 
ATOM     19  C   LIG    1        4.362   2.238   1.375  0.00  0.00    +0.049 C 
BRANCH  18  20
ATOM     20  O   LIG    1        4.231   2.083  -0.992  0.00  0.00    -0.382 OA
ATOM     21  H   LIG    1        5.202   2.030  -1.099  0.00  0.00    +0.211 HD
ENDBRANCH  18  20
BRANCH  18  22
ATOM     22  C   LIG    1        4.806   0.046   0.150  0.00  0.00    +0.199 C 
BRANCH  22  23
ATOM     23  O   LIG    1        6.183   0.411  -0.048  0.00  0.00    -0.377 OA
BRANCH  23  25
ATOM     24  C   LIG    1        7.037  -1.416  -1.415  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1        7.064  -0.711  -0.071  0.00  0.00    +0.156 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   1  18
BRANCH   6  26
ATOM     26  O   LIG    1       -2.529   0.673   1.227  0.00  0.00    -0.351 OA
ATOM     27  C   LIG    1       -2.344   2.069   1.430  0.00  0.00    +0.197 C 
ENDBRANCH   6  26
BRANCH   5  28
ATOM     28  C   LIG    1       -3.219   0.561  -1.854  0.00  0.00    +0.166 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.505   0.778  -1.086  0.00  0.00    +0.059 A 
ATOM     30  N   LIG    1       -4.853   2.059  -0.796  0.00  0.00    -0.257 NA
ATOM     31  C   LIG    1       -5.999   2.251  -0.097  0.00  0.00    +0.131 A 
ATOM     32  C   LIG    1       -6.824   1.224   0.328  0.00  0.00    +0.059 A 
ATOM     33 CL   LIG    1       -8.257   1.549   1.213  0.00  0.00    -0.082 Cl
ATOM     34  C   LIG    1       -6.464  -0.080   0.018  0.00  0.00    +0.023 A 
ATOM     35  C   LIG    1       -5.291  -0.309  -0.701  0.00  0.00    +0.026 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9