REMARK  Name = BDB019410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.799  -2.167  -2.138  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.046  -2.676  -1.176  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.315  -2.695  -0.220  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.428  -1.849  -3.265  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.975  -0.952   0.590  0.00  0.00    +0.257 C 
ATOM      6  N   LIG    1       -2.323  -0.845  -0.739  0.00  0.00    -0.284 N 
ATOM      7  C   LIG    1       -2.252  -1.994  -1.648  0.00  0.00    +0.164 C 
ATOM      8  C   LIG    1       -3.204  -1.629  -2.786  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.099  -0.107  -2.854  0.00  0.00    +0.134 C 
ATOM     10  C   LIG    1       -2.983   0.285  -1.380  0.00  0.00    +0.140 C 
ATOM     11  O   LIG    1       -1.502  -2.005   1.034  0.00  0.00    -0.272 OA
BRANCH   5  12
ATOM     12  C   LIG    1       -2.140   0.294   1.484  0.00  0.00    +0.259 C 
ATOM     13  C   LIG    1       -0.888   1.157   1.369  0.00  0.00    +0.062 C 
BRANCH  12  14
ATOM     14  O   LIG    1       -2.276  -0.062   2.866  0.00  0.00    -0.452 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -3.465  -1.072   4.616  0.00  0.00    +0.136 C 
ATOM     16  C   LIG    1       -3.451  -0.678   3.171  0.00  0.00    +0.305 C 
ATOM     17  O   LIG    1       -4.376  -0.860   2.392  0.00  0.00    -0.251 OA
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   5  12
BRANCH   9  18
ATOM     18  O   LIG    1       -4.248   0.458  -3.460  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1       -4.283   0.129  -4.377  0.00  0.00    +0.210 HD
ENDBRANCH   9  18
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1        1.479  -2.659  -1.335  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.061  -1.391  -0.762  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.126  -0.228  -1.541  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.625   0.961  -1.003  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        3.066   1.012   0.325  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        2.998  -0.151   1.104  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        2.492  -1.339   0.569  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        3.595   2.259   0.878  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.637   3.067   0.440  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1        5.526   2.830  -0.730  0.00  0.00    +0.067 C 
ATOM     30  N   LIG    1        4.854   4.209   1.199  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1        3.994   4.251   2.189  0.00  0.00    +0.156 A 
ATOM     32  S   LIG    1        2.877   2.959   2.277  0.00  0.00    -0.075 S 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8