REMARK  Name = BDB052296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.486   0.710   0.187  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -2.307  -0.268  -0.298  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1       -3.545   0.266  -0.335  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1       -3.476   1.620   0.147  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -4.519   2.530   0.276  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -5.742   1.966  -0.139  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.875   0.629  -0.626  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.785  -0.272  -0.744  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -2.173   1.872   0.468  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        2.668  -0.077   0.674  0.00  0.00    -0.031 A 
ATOM     11  C   LIG    1        1.801  -1.051   0.158  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.435  -0.788   0.004  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.092   0.464   0.353  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        0.767   1.449   0.852  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        2.132   1.179   1.004  0.00  0.00    +0.007 A 
BRANCH  10  16
ATOM     16  C   LIG    1        4.165  -0.317   0.838  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        4.476  -1.715   1.390  0.00  0.00    +0.029 C 
BRANCH  16  19
ATOM     18  C   LIG    1        6.279  -0.005  -0.351  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        4.828  -0.045  -0.443  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1        4.541  -0.741  -1.129  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   8  21
ATOM     21  C   LIG    1       -4.975  -1.640  -1.252  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -6.081  -2.045  -1.590  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -3.872  -2.438  -1.333  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -3.971  -3.380  -1.680  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -2.956  -2.096  -1.053  0.00  0.00    +0.145 HD
ENDBRANCH   8  21
TORSDOF 4