REMARK  Name = BDB065109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.486  -0.344  -1.386  0.00  0.00    +0.134 A 
ATOM      2  N   LIG    1        0.281  -0.067  -0.850  0.00  0.00    -0.215 NA
ATOM      3  C   LIG    1       -0.821  -0.285  -1.599  0.00  0.00    +0.145 A 
ATOM      4  C   LIG    1       -0.717  -0.804  -2.886  0.00  0.00    +0.099 A 
ATOM      5 CL   LIG    1       -2.078  -1.123  -3.889  0.00  0.00    -0.078 Cl
ATOM      6  C   LIG    1        0.556  -1.063  -3.343  0.00  0.00    +0.136 A 
ATOM      7  N   LIG    1        1.672  -0.844  -2.619  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.612   0.401   1.542  0.00  0.00    +0.073 C 
ATOM      9  C   LIG    1        3.513  -0.621   1.850  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        2.815  -1.147   0.591  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1        2.713  -0.103  -0.536  0.00  0.00    +0.057 C 
ATOM     12  C   LIG    1        2.756   1.327   0.012  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1        4.053   1.613   0.777  0.00  0.00    +0.023 C 
BRANCH   8  16
ATOM     14  C   LIG    1        7.652  -1.625   0.496  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        6.657  -0.995   1.433  0.00  0.00    +0.210 C 
ATOM     16  N   LIG    1        5.710  -0.216   0.804  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        5.659  -0.252  -0.205  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        6.694  -1.183   2.645  0.00  0.00    -0.276 OA
ENDBRANCH   8  16
ENDBRANCH   1  11
BRANCH   3  19
ATOM     19  N   LIG    1       -2.112  -0.012  -1.067  0.00  0.00    -0.297 N 
ATOM     20  H   LIG    1       -2.651   0.476  -1.796  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.488   0.393   0.235  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -3.706   1.055   0.494  0.00  0.00    +0.110 A 
ATOM     23  C   LIG    1       -4.087   1.418   1.798  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -3.282   1.078   2.879  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.106   0.371   2.659  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -1.724   0.026   1.357  0.00  0.00    +0.025 A 
BRANCH  22  27
ATOM     27  S   LIG    1       -4.824   1.514  -0.819  0.00  0.00    +0.001 S 
ATOM     28  O   LIG    1       -5.426   2.777  -0.432  0.00  0.00    -0.169 OA
ATOM     29  O   LIG    1       -4.098   1.410  -2.074  0.00  0.00    -0.169 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -6.100   0.246  -0.783  0.00  0.00    +0.130 C 
ATOM     31  C   LIG    1       -7.189   0.580  -1.800  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1       -5.537  -1.146  -1.045  0.00  0.00    +0.032 C 
ENDBRANCH  27  30
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6