REMARK  Name = BDB049775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.296   0.489  -0.079  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1        0.979   1.366  -0.935  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        2.376   1.328  -1.046  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        3.133   0.387  -0.335  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        2.444  -0.499   0.507  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        1.049  -0.460   0.618  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.598   0.283  -0.401  0.00  0.00    +0.113 A 
ATOM      8  S   LIG    1        5.426   0.271  -1.911  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        6.927   0.065  -1.099  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        6.692  -0.013   0.274  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        7.789  -0.192   1.140  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        9.083  -0.284   0.616  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        9.294  -0.202  -0.756  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        8.222  -0.028  -1.637  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        5.365   0.089   0.655  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1       -1.117   0.510  -0.051  0.00  0.00    -0.299 N 
ATOM     17  H   LIG    1       -1.486   1.369  -0.447  0.00  0.00    +0.154 HD
BRANCH  16  26
ATOM     18  C   LIG    1       -6.111  -0.487   0.370  0.00  0.00    +0.164 A 
ATOM     19  C   LIG    1       -5.316  -0.166  -0.741  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1       -3.946   0.033  -0.561  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -3.351  -0.090   0.722  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -4.149  -0.434   1.819  0.00  0.00    +0.080 A 
ATOM     23  N   LIG    1       -3.655  -0.590   3.050  0.00  0.00    -0.235 NA
ATOM     24  C   LIG    1       -2.339  -0.410   3.198  0.00  0.00    +0.223 A 
ATOM     25  N   LIG    1       -1.478  -0.073   2.236  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -1.981   0.099   1.002  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1       -5.512  -0.620   1.628  0.00  0.00    +0.078 A 
BRANCH  18  29
ATOM     28  C   LIG    1       -8.287  -0.987   1.226  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -7.451  -0.658   0.126  0.00  0.00    -0.491 OA
ENDBRANCH  18  29
BRANCH  19  30
ATOM     30  O   LIG    1       -5.966  -0.060  -1.943  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -5.173   0.057  -3.116  0.00  0.00    +0.277 C 
ENDBRANCH  19  30
ENDBRANCH  16  26
ENDBRANCH   1  16
BRANCH   3  32
ATOM     32  O   LIG    1        2.999   2.246  -1.851  0.00  0.00    -0.506 OA
ATOM     33  H   LIG    1        2.344   2.869  -2.205  0.00  0.00    +0.292 HD
ENDBRANCH   3  32
TORSDOF 6