REMARK  Name = BDB048661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.709  -0.654   0.237  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -0.607  -0.200   0.969  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.345  -1.098   1.487  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.201  -2.474   1.244  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -0.900  -2.929   0.512  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.848  -2.027   0.016  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        1.189  -3.279   1.748  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1        1.010  -4.685   1.627  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -2.726   0.323  -0.300  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.079   0.273   0.427  0.00  0.00    +0.102 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.948   0.496   1.926  0.00  0.00    +0.308 C 
ATOM     12  O   LIG    1       -4.377  -0.290   2.759  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -3.370   1.664   2.282  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1       -3.075   2.225   1.543  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
BRANCH  10  15
ATOM     15  C   LIG    1       -5.102   1.275  -0.138  0.00  0.00    +0.015 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -6.665   1.874  -2.023  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -5.583   0.916  -1.546  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1        1.520  -0.545   2.255  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.638  -0.288   1.375  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1        3.140  -1.103   1.041  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        2.834   0.931   0.771  0.00  0.00    +0.247 C 
ATOM     22  O   LIG    1        2.150   1.920   1.020  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.932   1.032  -0.232  0.00  0.00    +0.072 A 
ATOM     24  C   LIG    1        4.709  -0.057  -0.629  0.00  0.00    +0.136 A 
ATOM     25  F   LIG    1        4.502  -1.281  -0.121  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        5.726   0.088  -1.575  0.00  0.00    +0.051 A 
ATOM     27  C   LIG    1        5.993   1.341  -2.146  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        5.210   2.438  -1.758  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        4.192   2.285  -0.809  0.00  0.00    +0.016 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.077   1.493  -3.186  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1        8.129   0.653  -2.980  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.603   2.747  -3.231  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.624   1.228  -4.441  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 11