REMARK  Name = BDB063049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.181  -0.918   0.025  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        1.208  -0.943   0.210  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        2.086  -0.898  -0.889  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        1.553  -0.863  -2.186  0.00  0.00    +0.053 A 
ATOM      5 CL   LIG    1        2.521  -0.866  -3.617  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        0.164  -0.858  -2.370  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -0.701  -0.885  -1.272  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -2.280  -0.343   1.120  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -2.593   0.060   0.250  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -1.055  -0.957   1.230  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -0.659  -1.499   2.255  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -3.263  -0.438   2.176  0.00  0.00    +0.143 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -5.350   0.542   1.096  0.00  0.00    +0.125 A 
ATOM     14  C   LIG    1       -4.309   0.640   2.040  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -4.226   1.781   2.856  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -5.170   2.800   2.752  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -6.202   2.695   1.825  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -6.290   1.573   0.997  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -6.497  -0.827  -0.481  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -5.339  -0.579   0.307  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  12  14
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   3  21
ATOM     21  C   LIG    1        3.543  -0.910  -0.572  0.00  0.00    +0.250 C 
ATOM     22  N   LIG    1        4.336  -0.089  -1.349  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1        3.882   0.401  -2.111  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        3.911  -1.601   0.371  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.728   0.117  -1.244  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        6.319   0.971  -2.184  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        7.692   1.231  -2.150  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        8.487   0.638  -1.174  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.909  -0.212  -0.235  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.535  -0.472  -0.269  0.00  0.00    +0.023 A 
ENDBRANCH  22  25
ENDBRANCH   3  21
TORSDOF 6