REMARK  Name = BDB000002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.612  -2.736  -0.330  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        0.722  -1.271  -0.177  0.00  0.00    -0.342 N 
ATOM      3  C   LIG    1       -0.434  -0.466  -0.073  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -0.382   0.890   0.004  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.951   1.563  -0.039  0.00  0.00    -0.007 A 
ATOM      6  C   LIG    1        0.936   3.038  -0.032  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.215   3.727   0.049  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -1.513   3.081   0.140  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        2.094   0.818  -0.058  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        3.427   1.432  -0.094  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        4.551   0.718   0.036  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        4.479  -0.746   0.196  0.00  0.00    +0.057 A 
ATOM     13  N   LIG    1        5.523  -1.483   0.391  0.00  0.00    -0.300 NA
ATOM     14  H   LIG    1        6.373  -0.912   0.429  0.00  0.00    +0.187 HD
ATOM     15  C   LIG    1        3.143  -1.373   0.102  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -1.583   1.737   0.128  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        1.999  -0.672  -0.047  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   3  18
ATOM     18  C   LIG    1       -1.749  -1.154  -0.025  0.00  0.00    -0.001 A 
ATOM     19  C   LIG    1       -2.512  -1.314  -1.191  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -3.750  -1.957  -1.137  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.233  -2.440   0.079  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.481  -2.283   1.243  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.243  -1.642   1.193  0.00  0.00    +0.010 A 
ENDBRANCH   3  18
BRANCH   8  24
ATOM     24  N   LIG    1       -2.619   3.896   0.236  0.00  0.00    -0.358 N 
ATOM     25  H   LIG    1       -2.522   4.761  -0.288  0.00  0.00    +0.142 HD
ATOM     26  H   LIG    1       -3.487   3.416   0.011  0.00  0.00    +0.142 HD
ENDBRANCH   8  24
TORSDOF 2