REMARK  Name = BDB045912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.630  -0.959  -1.063  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.428  -1.516  -0.616  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.284  -1.469  -1.425  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.324  -0.904  -2.708  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -1.527  -0.348  -3.150  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.667  -0.374  -2.335  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.946  -2.072  -0.877  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.964  -1.253  -0.461  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.791  -1.752  -0.158  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.013  -3.288  -0.733  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.046   0.184  -0.602  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.068   0.756   0.344  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.353   1.088  -0.106  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.303   1.602   0.780  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        4.992   1.780   2.136  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        3.706   1.444   2.585  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        2.756   0.931   1.699  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1        6.010   2.355   3.089  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        5.872   1.893   4.364  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.931   3.712   3.173  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.296   2.077   2.733  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  22
ATOM     22  O   LIG    1        0.835  -0.922  -3.436  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        0.733  -0.641  -4.827  0.00  0.00    +0.277 C 
ENDBRANCH   4  22
BRANCH   1  24
ATOM     24  C   LIG    1       -3.861  -0.981  -0.187  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.214   0.393   0.409  0.00  0.00    +0.102 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -2.910   0.088   2.620  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -3.183   0.960   1.401  0.00  0.00    +0.011 C 
ENDBRANCH  25  27
BRANCH  25  28
ATOM     28  C   LIG    1       -5.590   0.398   1.041  0.00  0.00    +0.308 C 
ATOM     29  O   LIG    1       -6.306   1.379   1.164  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.981  -0.788   1.537  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -6.858  -0.603   1.936  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10