REMARK  Name = BDB061430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.772  -1.495  -0.335  0.00  0.00    +0.075 C 
ATOM      2  C   LIG    1       -0.532  -0.697  -0.515  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1       -1.391  -1.259  -1.661  0.00  0.00    +0.058 C 
ATOM      4  C   LIG    1       -0.610  -1.116  -2.991  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1        0.906  -1.280  -2.850  0.00  0.00    +0.003 C 
ATOM      6  C   LIG    1        1.278  -2.126  -1.643  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.702  -0.598  -1.758  0.00  0.00    -0.298 NA
ATOM      8  C   LIG    1       -3.517  -0.663  -0.533  0.00  0.00    +0.105 C 
ATOM      9  C   LIG    1       -4.981  -0.582  -1.002  0.00  0.00    +0.094 C 
ATOM     10  C   LIG    1       -4.911  -0.475  -2.519  0.00  0.00    +0.037 C 
ATOM     11  C   LIG    1       -3.559  -1.088  -2.841  0.00  0.00    +0.086 C 
BRANCH   9  12
ATOM     12  N   LIG    1       -5.832   0.490  -0.392  0.00  0.00    -0.180 NA
ATOM     13  C   LIG    1       -6.597  -0.021   0.771  0.00  0.00    +0.131 C 
BRANCH  12  14
ATOM     14  S   LIG    1       -5.161   2.046  -0.179  0.00  0.00    +0.029 S 
ATOM     15  O   LIG    1       -4.323   2.371  -1.311  0.00  0.00    -0.158 OA
ATOM     16  O   LIG    1       -4.661   2.126   1.177  0.00  0.00    -0.158 OA
ATOM     17  C   LIG    1       -6.610   3.073  -0.305  0.00  0.00    +0.215 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  19
ATOM     18  C   LIG    1        2.835  -1.167   1.002  0.00  0.00    +0.261 C 
ATOM     19  N   LIG    1        1.792  -0.647   0.270  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1        1.859   0.311  -0.041  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        2.930  -2.361   1.270  0.00  0.00    -0.269 OA
BRANCH  18  27
ATOM     22  C   LIG    1        7.710  -0.701   3.660  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        7.007   0.501   3.097  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        5.774   0.453   2.417  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        5.145   1.589   1.905  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        3.932   1.165   1.292  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        3.832  -0.209   1.425  0.00  0.00    +0.103 A 
ATOM     28  C   LIG    1        5.768   2.836   2.077  0.00  0.00    +0.133 A 
ATOM     29  F   LIG    1        5.198   3.953   1.601  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.987   2.925   2.743  0.00  0.00    +0.039 A 
ATOM     31  N   LIG    1        4.956  -0.612   2.115  0.00  0.00    -0.350 N 
ATOM     32  H   LIG    1        5.136  -1.577   2.358  0.00  0.00    +0.166 HD
ATOM     33  C   LIG    1        7.594   1.774   3.243  0.00  0.00    +0.008 A 
ENDBRANCH  18  27
ENDBRANCH   1  19
TORSDOF 5