REMARK  Name = BDB018151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.312  -2.532  -0.369  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        0.694  -1.732   0.878  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -0.548  -1.178   1.579  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1       -0.742   0.199   0.911  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.452   0.485   0.141  0.00  0.00    -0.345 OA
ATOM      6  C   LIG    1        1.465  -0.435   0.591  0.00  0.00    +0.188 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.920   0.268   0.058  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -3.200   0.177   0.551  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -4.081   0.289  -0.515  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -5.447   0.212  -0.212  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -5.819   0.043   1.072  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -4.857  -0.057   2.010  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1       -3.290   0.458  -1.685  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -3.522  -0.002   1.845  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -1.964   0.451  -1.302  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1       -6.452   0.316  -1.161  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -7.344   0.514  -0.722  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -6.219   0.866  -1.975  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   4   7
BRANCH   3  19
ATOM     19  O   LIG    1       -0.245  -1.032   2.983  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1       -1.075  -0.747   3.414  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   2  21
ATOM     21  O   LIG    1        1.451  -2.593   1.732  0.00  0.00    -0.383 OA
ATOM     22  H   LIG    1        1.212  -2.327   2.648  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   6  23
ATOM     23  C   LIG    1        2.635  -0.589  -0.409  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.465   0.654  -0.701  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1        4.512   0.550  -1.641  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        5.314   1.649  -1.966  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        6.569   1.416  -3.131  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        5.081   2.881  -1.352  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        6.022   4.287  -1.700  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        4.049   3.003  -0.419  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        3.249   1.900  -0.097  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1        3.561  -1.582   0.049  0.00  0.00    -0.384 OA
ATOM     33  H   LIG    1        3.078  -2.239   0.590  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   6  23
TORSDOF 7