REMARK  Name = BDB036406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.780  -0.191  -0.281  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.487  -1.097  -1.055  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.580  -1.582  -0.834  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.659  -1.389  -2.228  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.507  -0.604  -2.160  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.535  -0.687  -3.153  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -0.771  -1.586  -4.211  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.942  -2.366  -4.265  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.905  -2.272  -3.261  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.556   0.253  -0.934  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -3.944   3.625   3.501  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.801   2.678   2.733  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.277   2.734   1.448  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -4.656   3.629   1.168  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.961   1.881   0.413  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.149   2.225  -0.753  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.389   0.519   0.838  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.412   0.729   1.991  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.131   1.392   3.155  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.721   0.136  -3.099  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.594  -0.345  -2.051  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.001  -1.261  -2.171  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        1.974   0.451  -0.995  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        1.621   1.617  -0.863  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        2.865  -0.176   0.015  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        3.791   0.637   0.681  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        4.650   0.102   1.647  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        4.559  -1.257   1.958  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        3.622  -2.068   1.308  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        2.774  -1.534   0.337  0.00  0.00    +0.013 A 
BRANCH  27  31
ATOM     31  O   LIG    1        5.514   1.005   2.198  0.00  0.00    -0.406 OA
BRANCH  31  32
ATOM     32  C   LIG    1        6.457   0.530   3.144  0.00  0.00    +0.575 C 
ATOM     33  F   LIG    1        7.217   1.566   3.558  0.00  0.00    -0.133 F 
ATOM     34  F   LIG    1        5.842   0.002   4.223  0.00  0.00    -0.133 F 
ATOM     35  F   LIG    1        7.271  -0.395   2.594  0.00  0.00    -0.133 F 
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6