REMARK  Name = BDB028371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.800  -2.333   0.429  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        1.180  -3.659   0.425  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        2.356  -4.237  -0.188  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1        0.333  -4.466   1.090  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.595  -3.636   1.565  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.371  -2.300   1.175  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.137  -1.109   1.480  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.683  -0.332   0.446  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.412   0.826   0.747  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.597   1.196   2.077  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.363   2.416   2.383  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -3.845   3.112   1.302  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.378   3.955   1.494  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.682   2.779  -0.007  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.552   2.779   3.538  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.062   0.422   3.112  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.008   1.701  -0.294  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.335  -0.731   2.812  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -2.816   1.316  -1.765  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.465   2.287  -2.653  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -3.098   3.213  -2.420  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -4.447   2.354  -2.373  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  27
ATOM     23  C   LIG    1        2.944   0.823  -1.537  0.00  0.00    +0.140 A 
ATOM     24  C   LIG    1        2.215  -0.130  -2.264  0.00  0.00    +0.083 A 
ATOM     25 CL   LIG    1        2.126  -0.074  -3.990  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1        1.528  -1.157  -1.612  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1        1.558  -1.257  -0.214  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        2.287  -0.307   0.522  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1        2.975   0.725  -0.142  0.00  0.00    +0.066 A 
BRANCH  23  31
ATOM     30  C   LIG    1        4.299   2.797  -1.551  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        3.584   1.794  -2.260  0.00  0.00    -0.494 OA
ENDBRANCH  23  31
BRANCH  28  32
ATOM     32  C   LIG    1        2.363  -0.360   1.956  0.00  0.00    +0.100 C 
ATOM     33  N   LIG    1        2.443  -0.380   3.114  0.00  0.00    -0.191 NA
ENDBRANCH  28  32
ENDBRANCH   1  27
TORSDOF 6