REMARK  Name = BDB049833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.028  -0.037   0.793  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1        1.046   0.297  -0.137  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        1.300   1.057  -0.755  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.755  -0.525   1.885  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        6.781   1.220   0.587  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1        5.466   0.810   0.307  0.00  0.00    +0.102 A 
ATOM      7  C   LIG    1        5.154   0.440  -1.000  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        3.825   0.109  -0.954  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1        3.268  -0.236  -1.722  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1        3.379   0.250   0.339  0.00  0.00    +0.195 A 
ATOM     11  C   LIG    1        6.082   0.442  -2.047  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        7.387   0.841  -1.739  0.00  0.00    +0.003 A 
ATOM     13  N   LIG    1        4.364   0.656   1.118  0.00  0.00    -0.223 NA
ATOM     14  C   LIG    1        7.738   1.227  -0.444  0.00  0.00    +0.015 A 
BRANCH   5  18
ATOM     15  N   LIG    1        8.211   1.001   2.505  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        8.365   1.197   3.486  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        8.496   0.095   2.161  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1        7.155   1.663   1.938  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        6.587   2.580   2.510  0.00  0.00    -0.270 OA
ENDBRANCH   5  18
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  C   LIG    1       -0.372   0.196   0.210  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1       -1.233   0.942  -0.826  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -2.629   0.331  -1.006  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1       -3.115  -0.180   0.270  0.00  0.00    -0.299 NA
ATOM     24  C   LIG    1       -2.312  -1.317   0.750  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1       -0.842  -1.256   0.318  0.00  0.00    +0.037 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.565  -0.447   0.355  0.00  0.00    +0.059 C 
ATOM     27  C   LIG    1       -5.150  -1.281  -0.798  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -6.654  -1.477  -0.609  0.00  0.00    +0.082 C 
ATOM     29  N   LIG    1       -7.363  -0.201  -0.495  0.00  0.00    -0.316 NA
ATOM     30  H   LIG    1       -7.238   0.330  -1.358  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -6.850   0.587   0.627  0.00  0.00    +0.082 C 
ATOM     32  C   LIG    1       -5.353   0.869   0.493  0.00  0.00    +0.034 C 
ENDBRANCH  23  26
ENDBRANCH   2  20
TORSDOF 4