REMARK  Name = BDB022938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.417  -1.014   3.001  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.040  -1.455   1.579  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1        0.224  -0.367   0.601  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.778   0.392  -0.003  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -0.491   1.361  -0.709  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        1.613   0.046   0.344  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        2.624  -1.081   0.389  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        2.254  -2.354   0.781  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.262  -3.291   0.772  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.536  -3.013   0.440  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        4.818  -1.748   0.089  0.00  0.00    +0.220 A 
ATOM     12  N   LIG    1        3.897  -0.773   0.057  0.00  0.00    -0.217 NA
ATOM     13  C   LIG    1        0.841  -2.694   1.136  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.246  -0.028   0.201  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.134   0.557  -0.932  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.501   2.050  -0.687  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -3.452   2.492   0.718  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -4.257   3.694   0.915  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.824   1.429   1.635  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.726   0.366   1.613  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.373  -0.271  -1.295  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -4.971  -0.059  -2.550  0.00  0.00    +0.127 A 
ATOM     23  F   LIG    1       -4.454   0.852  -3.386  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -6.096  -0.768  -2.962  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -6.658  -1.719  -2.116  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -6.086  -1.952  -0.867  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.954  -1.236  -0.460  0.00  0.00    +0.007 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  28
ATOM     28  N   LIG    1        6.152  -1.511  -0.242  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        6.644  -2.389  -0.137  0.00  0.00    +0.155 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.793  -0.398  -0.648  0.00  0.00    +0.071 A 
ATOM     31  C   LIG    1        6.291   0.861  -0.868  0.00  0.00    +0.131 A 
ATOM     32  N   LIG    1        7.347   1.624  -1.272  0.00  0.00    -0.273 N 
ATOM     33  C   LIG    1        7.319   3.021  -1.626  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1        8.511   0.947  -1.329  0.00  0.00    -0.178 NA
ATOM     35  C   LIG    1        8.167  -0.288  -0.949  0.00  0.00    +0.157 A 
ENDBRANCH  28  30
ENDBRANCH  11  28
TORSDOF 4