REMARK  Name = BDB040142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.910  -2.051  -0.435  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1       -0.280  -1.297  -0.286  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.501  -1.646  -0.896  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -1.520  -2.796  -1.687  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.368  -3.562  -1.866  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.827  -3.191  -1.253  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.661  -0.844  -0.709  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -3.930  -1.074  -1.253  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1       -4.346  -1.958  -1.978  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -4.800   0.013  -0.786  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -6.139   0.227  -1.052  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -6.740   1.348  -0.481  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.995   2.222   0.334  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.632   1.992   0.597  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.051   0.866   0.018  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1       -2.648   0.362   0.108  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.824   2.919   1.464  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -2.771   3.463   0.793  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -4.534   3.965   1.966  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -3.284   2.279   2.538  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1        2.301  -1.605   0.275  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1        2.212  -1.160   1.758  0.00  0.00    +0.177 C 
ATOM     23  O   LIG    1        3.256  -2.078   2.148  0.00  0.00    -0.378 OA
ATOM     24  C   LIG    1        3.152  -2.761   0.876  0.00  0.00    +0.177 C 
BRANCH  21  25
ATOM     25  C   LIG    1        3.008  -0.584  -0.634  0.00  0.00    +0.248 C 
ATOM     26  F   LIG    1        2.176   0.501  -0.716  0.00  0.00    -0.236 F 
BRANCH  25  28
ATOM     27  N   LIG    1        4.823   1.137  -0.066  0.00  0.00    -0.315 N 
ATOM     28  C   LIG    1        4.391  -0.154  -0.267  0.00  0.00    +0.168 A 
ATOM     29  N   LIG    1        5.437  -0.953  -0.164  0.00  0.00    -0.132 NA
ATOM     30  N   LIG    1        6.535  -0.203   0.165  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1        6.153   1.048   0.224  0.00  0.00    +0.225 A 
BRANCH  27  33
ATOM     32  C   LIG    1        3.331   2.780   1.028  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1        4.105   2.383  -0.215  0.00  0.00    +0.121 C 
ENDBRANCH  27  33
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 6