REMARK  Name = BDB030750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.344   4.913  -0.625  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.130   3.478  -0.502  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1       -0.908   2.981   0.023  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.701   1.597   0.108  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.577   1.136   0.510  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.624   1.997   0.861  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        1.354   3.366   0.856  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.801   0.651  -0.253  0.00  0.00    +0.084 A 
ATOM      9  N   LIG    1       -1.612  -0.696   0.066  0.00  0.00    -0.337 N 
ATOM     10  H   LIG    1       -0.889  -0.851   0.754  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -1.667  -1.787  -0.904  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -2.891  -1.662  -1.818  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -4.059  -1.005  -1.098  0.00  0.00    +0.231 C 
ATOM     14  O   LIG    1       -4.033   0.413  -1.226  0.00  0.00    -0.485 OA
ATOM     15  C   LIG    1       -2.932   1.146  -0.813  0.00  0.00    +0.207 A 
ATOM     16  C   LIG    1        0.117   3.853   0.427  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -3.106   2.631  -1.006  0.00  0.00    +0.295 A 
ATOM     18  O   LIG    1       -4.115   3.054  -1.576  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  19
ATOM     19  C   LIG    1       -1.666  -3.137  -0.208  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -0.770  -3.463   0.967  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -2.259  -3.359   1.165  0.00  0.00    +0.005 C 
ENDBRANCH  11  19
BRANCH   6  22
ATOM     22  N   LIG    1        2.890   1.560   1.319  0.00  0.00    -0.298 N 
ATOM     23  H   LIG    1        3.554   2.331   1.318  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.533   0.303   1.185  0.00  0.00    +0.146 A 
ATOM     25  C   LIG    1        4.699   0.043   1.895  0.00  0.00    +0.128 A 
ATOM     26  C   LIG    1        5.234  -1.219   1.735  0.00  0.00    +0.152 A 
ATOM     27 CL   LIG    1        6.681  -1.729   2.521  0.00  0.00    -0.060 Cl
ATOM     28  N   LIG    1        4.712  -2.193   0.966  0.00  0.00    -0.209 NA
ATOM     29  C   LIG    1        3.580  -1.845   0.334  0.00  0.00    +0.242 A 
ATOM     30  N   LIG    1        2.975  -0.650   0.414  0.00  0.00    -0.205 NA
BRANCH  25  31
ATOM     31  C   LIG    1        5.309   1.022   2.729  0.00  0.00    +0.106 C 
ATOM     32  N   LIG    1        5.793   1.854   3.376  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
BRANCH  29  33
ATOM     33  C   LIG    1        2.940  -2.914  -0.507  0.00  0.00    +0.375 C 
ATOM     34  O   LIG    1        1.901  -2.796  -1.132  0.00  0.00    -0.242 OA
BRANCH  33  35
ATOM     35  O   LIG    1        3.670  -4.062  -0.477  0.00  0.00    -0.475 OA
ATOM     36  H   LIG    1        4.471  -3.959   0.086  0.00  0.00    +0.296 HD
ENDBRANCH  33  35
ENDBRANCH  29  33
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6