REMARK  Name = BDB047178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.637  -1.458   0.648  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1        1.555  -2.551   1.523  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        2.649  -2.999   2.160  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        0.370  -3.265   1.689  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.764  -2.907   0.964  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.711  -1.842   0.057  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        0.490  -1.123  -0.090  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        6.173   1.885   0.200  0.00  0.00    +0.105 C 
ATOM      9  N   LIG    1        4.895   1.188   0.338  0.00  0.00    -0.289 NA
ATOM     10  C   LIG    1        4.947   0.229   1.446  0.00  0.00    +0.181 C 
ATOM     11  C   LIG    1        3.566  -0.374   1.668  0.00  0.00    +0.240 C 
ATOM     12  O   LIG    1        3.145  -0.511   2.819  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1        2.861  -0.715   0.501  0.00  0.00    -0.206 N 
ATOM     14  C   LIG    1        3.263  -0.322  -0.783  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1        2.689  -0.650  -1.828  0.00  0.00    -0.273 OA
ATOM     16  C   LIG    1        4.568   0.467  -0.896  0.00  0.00    +0.181 C 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1       -1.935  -1.446  -0.737  0.00  0.00    +0.093 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.794  -0.352  -0.110  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.976   0.135  -0.869  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -4.748   1.136  -0.282  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -5.876   1.644  -0.938  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -6.233   1.145  -2.189  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.467   0.142  -2.782  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.366   1.654   1.041  0.00  0.00    +0.272 A 
ATOM     25  O   LIG    1       -5.015   2.535   1.593  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -3.251   1.091   1.608  0.00  0.00    -0.242 N 
ATOM     27  H   LIG    1       -2.966   1.433   2.521  0.00  0.00    +0.192 HD
ATOM     28  C   LIG    1       -4.340  -0.365  -2.126  0.00  0.00    +0.010 A 
ATOM     29  N   LIG    1       -2.477   0.117   1.062  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 3