REMARK  Name = BDB052300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.638   0.009  -0.610  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -2.577   0.010   0.382  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1       -3.744   0.341  -0.206  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1       -3.508   0.550  -1.610  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -4.434   0.904  -2.584  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -5.723   1.053  -2.033  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -6.020   0.860  -0.648  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.046   0.497   0.318  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -2.179   0.334  -1.835  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        2.397  -0.937   0.316  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        2.025  -0.628  -1.000  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.699  -0.315  -1.317  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.279  -0.307  -0.315  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        0.089  -0.613   1.004  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        1.417  -0.924   1.315  0.00  0.00    +0.007 A 
BRANCH  10  16
ATOM     16  C   LIG    1        3.834  -1.271   0.645  0.00  0.00    +0.116 C 
BRANCH  16  17
ATOM     17  N   LIG    1        4.695  -0.105   0.451  0.00  0.00    -0.312 NA
ATOM     18  H   LIG    1        4.347   0.660   1.028  0.00  0.00    +0.122 HD
BRANCH  17  20
ATOM     19  C   LIG    1        6.943   0.829   0.606  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        6.079  -0.406   0.809  0.00  0.00    +0.078 C 
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   8  21
ATOM     21  C   LIG    1       -5.405   0.310   1.733  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -6.557   0.461   2.122  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -4.405  -0.038   2.593  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -4.621  -0.173   3.569  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -3.450  -0.162   2.264  0.00  0.00    +0.145 HD
ENDBRANCH   8  21
TORSDOF 5