REMARK  Name = BDB019895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.283  -0.520  -0.431  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.525   0.342  -1.509  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.677   1.135  -1.544  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -2.606   1.041  -0.499  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -2.388   0.175   0.582  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.221  -0.607   0.604  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.933   2.039  -2.665  0.00  0.00    +0.049 A 
ATOM      8  N   LIG    1       -1.110   3.082  -3.045  0.00  0.00    -0.350 N 
ATOM      9  C   LIG    1        0.117   3.487  -2.392  0.00  0.00    +0.149 C 
ATOM     10  C   LIG    1       -1.645   3.726  -4.133  0.00  0.00    +0.086 A 
ATOM     11  C   LIG    1       -2.832   3.109  -4.455  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.017   2.057  -3.530  0.00  0.00    +0.028 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     13  N   LIG    1        1.412  -1.812   0.767  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        0.996  -1.468   1.620  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        0.970  -1.330  -0.446  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1        1.573  -1.508  -1.500  0.00  0.00    -0.270 OA
BRANCH  13  17
ATOM     17  C   LIG    1        2.681  -2.491   0.894  0.00  0.00    +0.139 C 
BRANCH  17  24
ATOM     18  C   LIG    1        6.082   1.058  -0.183  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1        5.399   0.200   0.843  0.00  0.00    -0.032 A 
ATOM     20  C   LIG    1        5.709   0.284   2.208  0.00  0.00    +0.044 A 
ATOM     21 CL   LIG    1        6.904   1.384   2.798  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        5.050  -0.524   3.138  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.074  -1.429   2.717  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.753  -1.538   1.360  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.415  -0.715   0.434  0.00  0.00    +0.010 A 
ENDBRANCH  17  24
ENDBRANCH  13  17
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1       -3.400   0.065   1.703  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.100  -1.199   1.657  0.00  0.00    -0.313 N 
ATOM     28  C   LIG    1       -3.743  -2.312   2.417  0.00  0.00    +0.201 A 
ATOM     29  N   LIG    1       -2.794  -2.428   3.272  0.00  0.00    -0.268 NA
ATOM     30  H   LIG    1       -2.815  -3.379   3.647  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1       -4.643  -3.283   2.022  0.00  0.00    -0.331 N 
ATOM     32  H   LIG    1       -4.629  -4.247   2.308  0.00  0.00    +0.168 HD
ATOM     33  C   LIG    1       -5.479  -2.812   1.036  0.00  0.00    +0.103 A 
ATOM     34  C   LIG    1       -5.152  -1.531   0.809  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6