REMARK  Name = BDB063926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.190   0.191   0.456  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.087   0.932   1.551  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.979   1.123   1.964  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.071   1.423   2.058  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.230   2.128   3.034  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.086   0.882   1.117  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.394   1.122   1.271  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.454   0.131   0.150  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.485   0.630   0.415  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.718   0.334   1.019  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.784  -0.105   0.212  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.656  -0.243  -1.171  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.791  -0.684  -1.834  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.756  -0.877  -0.964  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.421   0.073  -1.768  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        8.385  -0.549   0.674  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.354   0.510  -0.972  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.754  -0.441  -0.288  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.300  -1.095  -0.923  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.094  -0.880   0.108  0.00  0.00    +0.102 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.087   0.315   0.184  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1       -3.096   1.111  -1.140  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.101   2.260  -1.121  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -5.505   1.772  -0.787  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.520   1.004   0.528  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -4.518  -0.149   0.525  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -2.044  -1.750   1.388  0.00  0.00    +0.182 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -1.445  -3.889   0.507  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -1.062  -2.790   1.323  0.00  0.00    -0.381 OA
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6