REMARK  Name = BDB048164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.634  -1.619  -0.115  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.257  -1.872  -0.127  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.351  -0.832   0.098  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -0.809   0.492   0.334  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.188   0.725   0.344  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -3.094  -0.318   0.123  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        0.146   1.508   0.522  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        0.001   2.393   1.697  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -0.736   3.722   1.405  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -0.251   4.415   0.195  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -1.038   5.619  -0.066  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -0.306   3.493  -0.959  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        0.528   2.216  -0.722  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   3  14
ATOM     14  N   LIG    1        1.050  -1.006   0.137  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        1.536  -0.135   0.342  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        1.777  -2.160  -0.030  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1        1.345  -3.286  -0.247  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.242  -2.010   0.157  0.00  0.00    +0.056 A 
ATOM     19  C   LIG    1        4.028  -1.073  -0.536  0.00  0.00    +0.059 A 
ATOM     20 CL   LIG    1        3.329  -0.042  -1.745  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        5.413  -0.989  -0.283  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        6.301  -0.008  -0.994  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        5.974  -1.870   0.651  0.00  0.00    +0.128 A 
ATOM     24  F   LIG    1        7.288  -1.821   0.911  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        5.206  -2.814   1.323  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        3.839  -2.889   1.075  0.00  0.00    +0.017 A 
ENDBRANCH  16  18
ENDBRANCH   3  14
BRANCH   1  27
ATOM     27  C   LIG    1       -3.566  -2.757  -0.357  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1       -3.202  -3.904  -0.555  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -4.854  -2.328  -0.327  0.00  0.00    -0.461 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -6.103  -3.506  -2.034  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1       -5.850  -3.337  -0.548  0.00  0.00    +0.229 C 
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 6