REMARK  Name = BDB048179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.766  -0.075  -0.119  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1        0.897   1.312   0.141  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.176   1.880   0.170  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        3.305   1.090  -0.056  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        3.172  -0.281  -0.316  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        1.896  -0.862  -0.346  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -0.280   2.074   0.352  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.550   2.997  -0.779  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -1.694   3.962  -0.401  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -1.351   4.862   0.724  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -2.555   5.266   1.444  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -0.346   4.255   1.623  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -0.358   2.711   1.692  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -0.997  -1.851  -0.335  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1       -0.556  -0.568  -0.114  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -1.233   0.170   0.074  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -0.303  -2.832  -0.579  0.00  0.00    -0.270 OA
BRANCH  14  22
ATOM     18  C   LIG    1       -5.916  -0.649  -1.074  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -4.818  -1.504  -0.506  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.453  -1.227  -0.731  0.00  0.00    +0.059 A 
ATOM     21 CL   LIG    1       -3.033   0.123  -1.738  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1       -2.462  -2.060  -0.177  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -2.839  -3.187   0.573  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -4.184  -3.468   0.792  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -5.154  -2.628   0.259  0.00  0.00    +0.128 A 
ATOM     26  F   LIG    1       -6.442  -2.922   0.487  0.00  0.00    -0.205 F 
ENDBRANCH  14  22
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  C   LIG    1        4.414  -1.068  -0.549  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1        5.532  -0.579  -0.516  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        4.120  -2.368  -0.793  0.00  0.00    -0.458 OA
BRANCH  29  30
ATOM     30  C   LIG    1        5.238  -3.241  -1.036  0.00  0.00    +0.171 C 
ATOM     31  C   LIG    1        5.806  -3.724   0.294  0.00  0.00    +0.052 C 
ATOM     32  C   LIG    1        4.719  -4.415  -1.858  0.00  0.00    +0.052 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 6