REMARK  Name = BDB012623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.220  -1.801   0.756  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.279  -2.716   1.788  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        1.343  -3.657   2.046  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -0.838  -2.572   2.556  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1       -1.616  -1.621   2.099  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.975  -1.120   0.976  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        3.146  -0.444  -1.185  0.00  0.00    +0.156 A 
ATOM      8  C   LIG    1        3.254  -1.418  -2.182  0.00  0.00    +0.165 A 
ATOM      9  F   LIG    1        4.211  -1.324  -3.118  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1        2.378  -2.499  -2.238  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        1.374  -2.622  -1.279  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        1.257  -1.666  -0.262  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        2.146  -0.579  -0.220  0.00  0.00    +0.058 A 
BRANCH   7  14
ATOM     14  O   LIG    1        4.062   0.573  -1.242  0.00  0.00    -0.489 OA
BRANCH  14  16
ATOM     15  C   LIG    1        4.877   2.750  -0.724  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1        3.840   1.694  -0.389  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   7  14
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1       -1.543  -0.032   0.177  0.00  0.00    +0.092 A 
ATOM     18  N   LIG    1       -0.840   0.409  -0.892  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1       -1.373   1.409  -1.622  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1       -2.587   2.006  -1.335  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1       -3.310   1.554  -0.231  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.773   0.515   0.535  0.00  0.00    +0.040 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -4.587   2.166   0.090  0.00  0.00    +0.112 A 
ATOM     24  N   LIG    1       -5.134   3.205  -0.623  0.00  0.00    -0.130 NA
ATOM     25  N   LIG    1       -6.297   3.525  -0.071  0.00  0.00    -0.068 NA
ATOM     26  N   LIG    1       -6.483   2.704   0.972  0.00  0.00    -0.264 N 
ATOM     27  H   LIG    1       -7.328   2.799   1.522  0.00  0.00    +0.190 HD
ATOM     28  C   LIG    1       -5.443   1.835   1.117  0.00  0.00    +0.135 A 
ENDBRANCH  21  23
ENDBRANCH   6  17
TORSDOF 5