REMARK  Name = BDB056423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.655   0.167   1.184  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        1.757   1.200   1.129  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1        1.236   1.488   0.316  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1        1.656   1.749   2.379  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1        2.566   1.026   3.136  0.00  0.00    +0.182 A 
ATOM      6  N   LIG    1        2.802   1.271   4.443  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        2.083   2.299   4.959  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1        1.148   3.068   4.273  0.00  0.00    +0.103 A 
ATOM      9 CL   LIG    1        0.319   4.331   5.100  0.00  0.00    -0.078 Cl
ATOM     10  C   LIG    1        0.892   2.780   2.932  0.00  0.00    +0.175 A 
ATOM     11  N   LIG    1        3.165   0.050   2.393  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        1.626   0.151  -2.031  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1        2.579  -0.758  -1.351  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        3.023  -0.755  -0.007  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        3.913  -1.798   0.083  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1        3.956  -2.358  -1.156  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1        4.753  -3.487  -1.571  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        3.149  -1.753  -2.048  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  O   LIG    1       -0.021   3.541   2.221  0.00  0.00    -0.452 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -0.905   2.851   1.423  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1       -1.038   3.275   0.100  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -1.913   2.606  -0.757  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -2.656   1.518  -0.282  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -2.564   1.131   1.059  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1       -1.684   1.798   1.913  0.00  0.00    +0.047 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.605   0.853  -1.202  0.00  0.00    +0.247 C 
ATOM     27  N   LIG    1       -3.480  -0.507  -1.416  0.00  0.00    -0.298 N 
ATOM     28  C   LIG    1       -2.383  -1.378  -1.012  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -2.803  -2.761  -1.489  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -3.621  -2.456  -2.735  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -4.364  -1.183  -2.352  0.00  0.00    +0.108 C 
ATOM     32  O   LIG    1       -4.450   1.551  -1.755  0.00  0.00    -0.270 OA
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 4