REMARK  Name = BDB052502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.845  -2.426   0.722  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        0.547  -2.310   0.783  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1        1.381  -3.283   1.303  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1        2.691  -2.905   1.227  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1        2.694  -1.701   0.677  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1        0.930  -4.449   1.811  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -0.417  -4.577   1.767  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1        1.404  -1.316   0.392  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1        1.110  -0.455  -0.042  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -1.319  -3.640   1.256  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1       -3.001  -4.036   1.313  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1       -3.940   0.136  -0.825  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1       -3.904  -0.482   0.523  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1       -2.476  -0.659   1.092  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -1.579  -1.386   0.165  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1       -2.160  -1.683  -1.158  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -2.892  -0.435  -1.704  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1       -5.277   0.003  -1.439  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -8.162   3.584   0.800  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -7.492   2.398   0.241  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1       -8.074   1.197   0.500  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1       -7.330   0.187  -0.085  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1       -6.301   0.797  -0.691  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1       -6.364   2.201  -0.514  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1        3.884  -0.892   0.390  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1        3.810   0.460   0.024  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        4.972   1.199  -0.244  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        6.226   0.599  -0.149  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1        6.308  -0.745   0.216  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        5.151  -1.481   0.486  0.00  0.00    +0.015 A 
BRANCH  28  31
ATOM     31  O   LIG    1        7.430   1.202  -0.384  0.00  0.00    -0.490 OA
BRANCH  31  32
ATOM     32  C   LIG    1        7.412   2.600  -0.691  0.00  0.00    +0.256 C 
BRANCH  32  33
ATOM     33  C   LIG    1        8.852   3.074  -0.881  0.00  0.00    +0.196 C 
BRANCH  33  34
ATOM     34  O   LIG    1        9.342   2.664  -2.157  0.00  0.00    -0.392 OA
ATOM     35  H   LIG    1       10.304   2.811  -2.154  0.00  0.00    +0.210 HD
ENDBRANCH  33  34
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH   5  25
TORSDOF 8