REMARK  Name = BDB007748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.568   2.179   0.208  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        3.751   1.288   0.435  0.00  0.00    +0.260 C 
ATOM      3  N   LIG    1        2.564   1.660   1.017  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        2.555   2.660   1.178  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        4.002  -0.098   0.120  0.00  0.00    +0.103 A 
ATOM      6  N   LIG    1        3.055  -1.032  -0.228  0.00  0.00    -0.349 N 
ATOM      7  H   LIG    1        2.058  -0.842  -0.295  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        3.630  -2.256  -0.480  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        5.006  -2.094  -0.340  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        5.848  -3.201  -0.562  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        5.283  -4.434  -0.913  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.902  -4.572  -1.044  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        3.054  -3.482  -0.831  0.00  0.00    +0.065 A 
ATOM     14 CL   LIG    1        1.353  -3.657  -0.996  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1        5.228  -0.736   0.016  0.00  0.00    +0.041 A 
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1        1.658   0.856   1.831  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.284   0.594   1.175  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.464  -0.239   0.026  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.427  -0.517  -0.254  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -0.445   1.913   0.819  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.803   1.852   0.260  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -2.739   0.997   0.996  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.139   0.999   0.418  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -4.380   1.437  -0.897  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -5.680   1.399  -1.417  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.732   0.905  -0.647  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.495   0.453   0.648  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.252   2.010  -1.720  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.205   0.496   1.179  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -1.869   1.613  -1.183  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6