REMARK  Name = BDB014273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.776  -1.192  -0.430  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1       -1.490  -0.044  -0.166  0.00  0.00    -0.353 N 
ATOM      3  H   LIG    1       -1.082   0.862   0.035  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -2.840  -0.296  -0.190  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1       -2.991  -1.647  -0.480  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -4.196  -2.254  -0.586  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -5.261  -1.450  -0.384  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -5.204  -0.097  -0.090  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.956   0.520   0.015  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -1.698  -2.203  -0.630  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -3.879   1.958   0.327  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1       -4.831   2.692   0.512  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -2.617   2.422   0.395  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -2.741   3.373   0.606  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1        0.715  -1.214  -0.479  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.177  -0.044   0.197  0.00  0.00    -0.486 OA
BRANCH  16  20
ATOM     17  C   LIG    1        5.254   0.736   0.604  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        4.281   1.575   1.149  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        2.926   1.271   0.986  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        2.531   0.130   0.281  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.504  -0.708  -0.264  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        4.862  -0.406  -0.102  0.00  0.00    +0.022 A 
BRANCH  17  24
ATOM     23  N   LIG    1        7.772   1.288   0.897  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        6.645   1.042   0.767  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH  16  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6