REMARK  Name = BDB059780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.489  -0.764   0.332  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -0.920  -0.508   0.357  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.680  -1.658   0.505  0.00  0.00    +0.074 A 
ATOM      4  S   LIG    1       -0.670  -3.042   0.623  0.00  0.00    -0.091 S 
ATOM      5  C   LIG    1        0.751  -2.110   0.465  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        5.627   0.708  -0.134  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        4.732   1.712  -0.145  0.00  0.00    +0.124 A 
ATOM      8  N   LIG    1        3.368   1.469  -0.034  0.00  0.00    -0.221 N 
ATOM      9  C   LIG    1        2.876   0.166   0.093  0.00  0.00    +0.163 A 
ATOM     10  C   LIG    1        1.502   0.287   0.184  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        1.260   1.671   0.105  0.00  0.00    +0.145 A 
ATOM     12  N   LIG    1        3.719  -0.914   0.105  0.00  0.00    -0.235 NA
ATOM     13  N   LIG    1        2.375   2.391  -0.029  0.00  0.00    -0.173 NA
ATOM     14  C   LIG    1        4.988  -0.648  -0.002  0.00  0.00    +0.123 A 
BRANCH   6  19
ATOM     15  C   LIG    1       10.522  -0.054  -0.015  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        9.211   0.523  -0.184  0.00  0.00    -0.274 N 
ATOM     17  N   LIG    1        9.096   1.786  -0.630  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        7.777   1.991  -0.661  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1        7.040   0.861  -0.238  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        8.007  -0.074   0.066  0.00  0.00    +0.116 A 
ENDBRANCH   6  19
ENDBRANCH   1  10
BRANCH   3  21
ATOM     21  C   LIG    1       -3.128  -1.838   0.575  0.00  0.00    +0.251 C 
ATOM     22  N   LIG    1       -3.870  -0.700   0.348  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1       -3.434   0.196   0.169  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -3.682  -2.909   0.815  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -5.325  -0.659   0.403  0.00  0.00    +0.090 C 
ATOM     26  C   LIG    1       -5.798   0.819   0.574  0.00  0.00    +0.071 C 
ATOM     27  C   LIG    1       -7.205   1.066   0.005  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -8.070  -0.184   0.094  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -7.484  -1.330  -0.735  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -5.956  -1.294  -0.839  0.00  0.00    +0.024 C 
BRANCH  26  31
ATOM     31  N   LIG    1       -4.843   1.780  -0.029  0.00  0.00    -0.326 NA
ATOM     32  H   LIG    1       -4.879   1.683  -1.046  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -5.175   2.728   0.161  0.00  0.00    +0.119 HD
ENDBRANCH  26  31
ENDBRANCH  22  25
ENDBRANCH   3  21
TORSDOF 5