REMARK  Name = BDB049281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.446  -0.441   0.446  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1        1.779   0.398  -0.479  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        0.400   0.522  -0.587  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        0.114   1.403  -1.525  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        1.293   1.838  -2.078  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.424  -0.274   0.271  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.199  -1.099   1.143  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        2.271   1.212  -1.466  0.00  0.00    +0.231 A 
ATOM      9  C   LIG    1        1.655  -1.211   1.236  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.905  -0.222   0.284  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -2.677  -1.390   0.186  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -4.074  -1.328   0.203  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.731  -0.096   0.308  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -3.961   1.072   0.401  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.565   1.010   0.382  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -6.245  -0.027   0.344  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -6.820   0.880  -0.665  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -8.247   1.076  -0.408  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -6.624   0.365  -2.023  0.00  0.00    +0.104 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1        3.851  -0.446   0.451  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        4.225  -1.277   0.920  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.616   0.708   0.960  0.00  0.00    +0.145 C 
BRANCH  22  25
ATOM     23  C   LIG    1        6.549   0.635  -1.567  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        6.959   0.432  -0.145  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        6.100   0.467   0.945  0.00  0.00    +0.010 A 
ATOM     26  S   LIG    1        6.919   0.170   2.421  0.00  0.00    -0.100 S 
ATOM     27  C   LIG    1        8.421   0.006   1.631  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        8.305   0.166   0.270  0.00  0.00    +0.011 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   9  29
ATOM     29  C   LIG    1        2.193  -2.117   2.197  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        2.642  -2.851   2.974  0.00  0.00    -0.191 NA
ENDBRANCH   9  29
TORSDOF 7