REMARK  Name = BDB017549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.487   0.925   0.582  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        3.031  -0.374   0.610  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        2.182  -1.418   1.020  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1        2.632  -2.742   0.989  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        2.021  -3.501   1.258  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.875  -3.114   0.566  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1        4.808  -2.023   0.187  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        6.205  -2.425  -0.211  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        7.198  -1.255  -0.194  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        6.573   0.007  -0.777  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1        5.328   0.271  -0.087  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        4.912   1.195  -0.205  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1        4.199  -4.297   0.515  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.869  -1.180   1.447  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        0.362   0.122   1.474  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        4.423  -0.732   0.221  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        1.184   1.170   1.040  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1        3.245   1.987   0.141  0.00  0.00    -0.492 OA
BRANCH  18  20
ATOM     19  C   LIG    1        3.715   3.513  -1.638  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        2.668   2.601  -1.022  0.00  0.00    +0.226 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH  15  21
ATOM     21  C   LIG    1       -1.045   0.404   1.955  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -1.899   0.992   0.912  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -2.129   0.042  -0.204  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -3.451   0.270  -0.974  0.00  0.00    +0.120 C 
ATOM     25  N   LIG    1       -4.602   0.117  -0.069  0.00  0.00    -0.327 N 
ATOM     26  C   LIG    1       -4.383   0.508   1.336  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -3.181   1.474   1.470  0.00  0.00    +0.103 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.869  -0.193  -0.536  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -6.881  -0.650   0.330  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -8.163  -0.972  -0.132  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -8.457  -0.839  -1.478  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1       -9.683  -1.141  -1.923  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -7.491  -0.398  -2.368  0.00  0.00    +0.040 A 
ATOM     34  C   LIG    1       -6.210  -0.084  -1.898  0.00  0.00    +0.026 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  15  21
TORSDOF 5