REMARK  Name = BDB027832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.018  -0.720  -0.206  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.421  -2.058  -0.352  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.807  -2.299  -0.344  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        2.200  -3.623  -0.474  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.376  -4.696  -0.617  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.060  -4.428  -0.638  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.725  -1.319  -0.227  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        2.297  -0.038  -0.146  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1       -0.456  -3.151  -0.514  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.948   0.288  -0.123  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.187  -1.343   1.942  0.00  0.00    +0.031 C 
ATOM     12  C   LIG    1       -2.093  -0.075   1.067  0.00  0.00    +0.032 C 
ATOM     13  N   LIG    1       -1.385  -0.404  -0.207  0.00  0.00    -0.324 N 
ATOM     14  C   LIG    1       -1.861   0.196  -1.464  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -2.438   1.581  -1.228  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1       -3.613   1.528  -0.256  0.00  0.00    +0.118 C 
ATOM     17  C   LIG    1       -3.542   0.354   0.724  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1       -1.399   1.020   1.897  0.00  0.00    +0.031 C 
BRANCH  16  19
ATOM     19  O   LIG    1       -3.690   2.753   0.472  0.00  0.00    -0.392 OA
ATOM     20  H   LIG    1       -3.792   3.474  -0.173  0.00  0.00    +0.210 HD
ENDBRANCH  16  19
ENDBRANCH   1  13
BRANCH   8  21
ATOM     21  C   LIG    1        3.362   0.969  -0.036  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        3.489   2.072  -0.893  0.00  0.00    +0.068 A 
ATOM     23 CL   LIG    1        2.433   2.365  -2.228  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1        4.535   2.964  -0.680  0.00  0.00    +0.131 A 
ATOM     25  N   LIG    1        5.456   2.843   0.304  0.00  0.00    -0.262 NA
ATOM     26  C   LIG    1        5.335   1.768   1.107  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        4.328   0.825   0.977  0.00  0.00    +0.031 A 
ENDBRANCH   8  21
TORSDOF 3