REMARK  Name = BDB052630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.657   0.254  -0.515  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -2.823  -0.457  -0.099  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -4.247  -0.220  -0.320  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1       -5.204  -1.199   0.361  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -4.605  -2.605   0.523  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1       -3.253  -2.585   1.253  0.00  0.00    +0.054 C 
ATOM      7  O   LIG    1       -4.666   0.746  -0.954  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -2.395  -1.544   0.630  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1       -1.031  -1.514   0.694  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -0.464  -2.205   1.177  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.550  -0.422   0.007  0.00  0.00    +0.044 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        0.842  -0.133  -0.086  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        1.896  -0.808   0.403  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        3.294  -0.366   0.210  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.100  -1.315   0.849  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        5.479  -1.232   0.879  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        6.073  -0.143   0.236  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        5.271   0.824  -0.412  0.00  0.00    +0.127 A 
ATOM     19  N   LIG    1        3.320  -2.308   1.424  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        3.662  -3.104   1.942  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        3.869   0.720  -0.432  0.00  0.00    +0.043 A 
ATOM     22  C   LIG    1        1.971  -2.085   1.208  0.00  0.00    +0.249 C 
ATOM     23  O   LIG    1        1.059  -2.788   1.599  0.00  0.00    -0.270 OA
BRANCH  18  24
ATOM     24  N   LIG    1        5.918   1.964  -1.079  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1        5.185   2.818  -1.596  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        7.156   2.002  -1.081  0.00  0.00    -0.126 OA
ENDBRANCH  18  24
ENDBRANCH  11  12
BRANCH   1  27
ATOM     27  C   LIG    1       -1.650   1.501  -1.353  0.00  0.00    +0.049 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.859   2.757  -0.514  0.00  0.00    +0.125 C 
BRANCH  28  30
ATOM     29  O   LIG    1       -1.437   4.069  -2.530  0.00  0.00    -0.251 OA
ATOM     30  C   LIG    1       -1.821   3.985  -1.376  0.00  0.00    +0.305 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -2.236   5.082  -0.713  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -2.169   5.800  -1.376  0.00  0.00    +0.295 HD
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 6