REMARK  Name = BDB055096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.624  -1.874  -0.405  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -2.808  -1.131  -0.369  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -4.041  -1.624  -0.764  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -5.024  -0.684  -0.623  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1       -4.415   0.383  -0.147  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1       -4.222  -2.879  -1.225  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -3.085  -3.612  -1.268  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -3.076   0.154   0.021  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1       -2.391   0.807   0.373  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -1.810  -3.184  -0.888  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1       -0.509  -4.311  -1.040  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        2.502  -0.979   0.468  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        1.715  -2.114   1.000  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        0.203  -1.854   1.209  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -0.444  -1.271   0.013  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        0.480  -0.909  -1.083  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        1.702  -0.172  -0.491  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        3.030  -0.138   1.560  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        6.967   2.399  -0.499  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        5.744   1.885   0.140  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        4.856   2.815   0.581  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        3.765   2.181   1.149  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        4.012   0.867   1.042  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        5.257   0.631   0.410  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1       -5.124   1.718   0.179  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1       -6.469   1.940   0.008  0.00  0.00    +0.206 A 
ATOM     27  O   LIG    1       -6.787   3.208   0.383  0.00  0.00    -0.470 OA
ATOM     28  C   LIG    1       -5.632   3.795   0.795  0.00  0.00    +0.195 A 
ATOM     29  C   LIG    1       -4.577   2.918   0.689  0.00  0.00    +0.052 A 
ENDBRANCH   5  25
TORSDOF 4