REMARK  Name = BDB052505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.340   0.796   2.095  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -0.049   0.768   1.945  0.00  0.00    +0.109 A 
ATOM      3  C   LIG    1       -0.936   1.330   2.846  0.00  0.00    +0.182 A 
ATOM      4  N   LIG    1       -2.231   1.147   2.452  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -2.169   0.498   1.309  0.00  0.00    +0.198 A 
ATOM      6  N   LIG    1       -0.544   1.971   3.969  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        0.799   2.013   4.128  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -0.862   0.241   0.978  0.00  0.00    -0.323 N 
ATOM      9  H   LIG    1       -0.539  -0.261   0.168  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        1.753   1.467   3.264  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        3.417   1.653   3.692  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        4.661  -0.843  -0.108  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        3.545  -1.687   0.383  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        2.757  -1.081   1.566  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        2.133   0.184   1.130  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        3.015   1.081   0.347  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        4.476   0.575   0.287  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        4.811  -1.007  -1.567  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        9.720   0.155  -2.421  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        8.261  -0.028  -2.352  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        7.519   0.702  -3.227  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        6.176   0.424  -3.038  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        6.126  -0.472  -2.042  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        7.426  -0.793  -1.578  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  N   LIG    1       -3.197   0.082   0.527  0.00  0.00    -0.299 N 
ATOM     26  C   LIG    1       -4.565   0.457   0.931  0.00  0.00    +0.123 C 
ATOM     27  C   LIG    1       -5.244   1.315  -0.160  0.00  0.00    +0.105 C 
ATOM     28  N   LIG    1       -5.271   0.707  -1.503  0.00  0.00    -0.281 NA
ATOM     29  C   LIG    1       -4.354  -0.439  -1.626  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1       -3.007  -0.194  -0.907  0.00  0.00    +0.123 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -6.611   0.458  -2.051  0.00  0.00    +0.230 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -7.349  -0.570  -1.310  0.00  0.00    -0.257 N 
ATOM     33  N   LIG    1       -7.273  -1.869  -1.683  0.00  0.00    -0.178 NA
ATOM     34  C   LIG    1       -8.095  -2.492  -0.836  0.00  0.00    +0.134 A 
ATOM     35  C   LIG    1       -8.727  -1.604   0.051  0.00  0.00    +0.041 A 
ATOM     36  C   LIG    1       -8.245  -0.364  -0.294  0.00  0.00    +0.110 A 
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH   5  25
TORSDOF 6