REMARK  Name = BDB049557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.587  -2.045  -1.709  0.00  0.00    -0.009 C 
ATOM      2  C   LIG    1        1.125  -3.163  -2.541  0.00  0.00    +0.141 C 
ATOM      3  N   LIG    1       -0.068  -3.655  -3.147  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.134  -4.429  -3.793  0.00  0.00    +0.149 HD
ATOM      5  C   LIG    1       -1.181  -2.948  -2.767  0.00  0.00    +0.245 C 
ATOM      6  O   LIG    1       -2.316  -3.174  -3.142  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -0.747  -1.883  -1.823  0.00  0.00    +0.049 C 
ENDROOT
BRANCH   1  14
ATOM      8  N   LIG    1        2.432  -0.494   0.955  0.00  0.00    -0.323 N 
ATOM      9  C   LIG    1        3.233  -0.092  -0.097  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        2.672  -0.621  -1.266  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.289  -0.325  -2.501  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.444   0.464  -2.531  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.984   0.971  -1.355  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        1.511  -1.355  -0.878  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        4.388   0.707  -0.119  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        1.396  -1.265   0.492  0.00  0.00    +0.097 A 
BRANCH   8  17
ATOM     17  C   LIG    1        2.645  -0.164   2.357  0.00  0.00    +0.284 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.170   1.161   2.576  0.00  0.00    -0.360 OA
BRANCH  18  20
ATOM     19  C   LIG    1        1.790   2.960   4.093  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1        2.317   1.548   3.938  0.00  0.00    +0.159 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   8  17
ENDBRANCH   1  14
BRANCH   7  21
ATOM     21  C   LIG    1       -1.635  -0.921  -1.156  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1       -1.231   0.405  -0.945  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -2.050   1.301  -0.257  0.00  0.00    +0.166 A 
ATOM     24  C   LIG    1       -3.327   0.901   0.150  0.00  0.00    +0.204 A 
ATOM     25  C   LIG    1       -3.766  -0.413  -0.069  0.00  0.00    +0.166 A 
ATOM     26  C   LIG    1       -2.911  -1.314  -0.716  0.00  0.00    +0.058 A 
BRANCH  23  27
ATOM     27  O   LIG    1       -1.656   2.594  -0.016  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -0.399   2.657   0.660  0.00  0.00    +0.277 C 
ENDBRANCH  23  27
BRANCH  24  29
ATOM     29  O   LIG    1       -4.125   1.784   0.841  0.00  0.00    -0.488 OA
ATOM     30  C   LIG    1       -4.928   2.523  -0.079  0.00  0.00    +0.277 C 
ENDBRANCH  24  29
BRANCH  25  31
ATOM     31  O   LIG    1       -5.023  -0.717   0.389  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -5.551  -1.991   0.045  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH   7  21
TORSDOF 8