REMARK  Name = BDB038990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.825  -3.142   1.581  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.403  -2.178   0.683  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        2.992  -1.815   0.581  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.711  -0.607  -0.277  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.740   0.078  -0.963  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        3.454   1.209  -1.740  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.148   1.684  -1.888  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.134   0.988  -1.221  0.00  0.00    +0.071 A 
ATOM      9  N   LIG    1       -0.235   1.158  -1.131  0.00  0.00    -0.307 N 
ATOM     10  C   LIG    1       -0.727   0.151  -0.328  0.00  0.00    +0.200 A 
ATOM     11  N   LIG    1        0.237  -0.617   0.119  0.00  0.00    -0.214 NA
ATOM     12  C   LIG    1        5.170  -0.380  -0.808  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.394  -0.128  -0.431  0.00  0.00    +0.096 A 
ATOM     14  C   LIG    1        5.250  -1.861  -0.456  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.949  -3.631   1.587  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  N   LIG    1       -2.054   0.034  -0.035  0.00  0.00    -0.301 N 
ATOM     17  C   LIG    1       -2.673  -1.143  -0.700  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1       -3.991  -1.508  -0.023  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1       -3.735  -1.981   1.418  0.00  0.00    +0.101 C 
ATOM     20  C   LIG    1       -2.550  -1.241   2.054  0.00  0.00    +0.033 C 
ATOM     21  C   LIG    1       -2.337   0.127   1.416  0.00  0.00    +0.109 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.489  -3.480   1.460  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1       -3.318  -4.189   0.481  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -3.502  -3.983   2.716  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -3.651  -3.321   3.416  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  10  16
BRANCH   1  27
ATOM     26  C   LIG    1        4.244  -4.490   3.408  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        3.850  -3.493   2.465  0.00  0.00    -0.454 OA
ENDBRANCH   1  27
BRANCH   9  28
ATOM     28  C   LIG    1       -0.989   2.249  -1.750  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -1.896   1.753  -2.879  0.00  0.00    +0.033 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -1.741   3.084  -0.706  0.00  0.00    +0.168 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -2.210   4.352  -1.238  0.00  0.00    -0.268 N 
ATOM     32  N   LIG    1       -1.318   5.298  -1.593  0.00  0.00    -0.178 NA
ATOM     33  C   LIG    1       -2.086   6.307  -2.018  0.00  0.00    +0.154 A 
ATOM     34  C   LIG    1       -3.456   6.004  -1.935  0.00  0.00    +0.078 A 
ATOM     35 CL   LIG    1       -4.741   7.009  -2.375  0.00  0.00    -0.080 Cl
ATOM     36  C   LIG    1       -3.508   4.731  -1.425  0.00  0.00    +0.128 A 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 7