REMARK  Name = BDB046648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.831  -0.439  -0.210  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        3.335  -1.618  -0.708  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        2.827  -2.279  -1.274  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        4.637  -1.758  -0.298  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        4.877  -0.631   0.484  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        6.148  -0.478   1.067  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        7.129  -1.462   0.838  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        6.849  -2.578   0.046  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        5.591  -2.751  -0.539  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.757   0.169   0.508  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -1.161   1.048  -0.795  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -0.292   1.643   0.125  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        1.003   1.146   0.301  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.465   0.047  -0.437  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        0.597  -0.539  -1.368  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -0.700  -0.042  -1.546  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -2.558   1.598  -1.002  0.00  0.00    +0.119 C 
BRANCH  17  22
ATOM     18  C   LIG    1       -7.112  -0.592   1.020  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1       -6.306   0.501   0.482  0.00  0.00    -0.303 NA
ATOM     20  C   LIG    1       -6.108   0.329  -0.972  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -4.872   1.095  -1.486  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1       -3.606   0.567  -0.931  0.00  0.00    -0.296 NA
ATOM     23  C   LIG    1       -3.801   0.045   0.440  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -5.017   0.635   1.191  0.00  0.00    +0.099 C 
ENDBRANCH  17  22
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   6  25
ATOM     25  C   LIG    1        6.447   0.687   1.921  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.692   1.090   2.793  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        7.652   1.300   1.694  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        8.147   1.165   0.823  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        7.785   2.180   2.175  0.00  0.00    +0.145 HD
ENDBRANCH   6  25
TORSDOF 4