REMARK  Name = BDB055819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.924   0.987  -0.027  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -0.709   0.778  -1.397  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1        0.328   1.446  -2.062  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        1.192   2.278  -1.351  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.014   2.454   0.018  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.042   1.824   0.676  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -3.082  -0.177   0.082  0.00  0.00    -0.312 N 
ATOM      8  H   LIG    1       -3.138  -0.053  -0.922  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.007   0.338   0.768  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -1.915   0.303   1.992  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -5.221   0.274   1.194  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -4.214  -0.774   0.758  0.00  0.00    +0.101 C 
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  N   LIG    1        1.933   3.228   0.773  0.00  0.00    -0.216 N 
ATOM     14  H   LIG    1        1.588   3.734   1.588  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        3.509   2.656   1.002  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        4.169   2.538  -0.277  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        4.072   3.501   2.036  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.259   1.049   1.730  0.00  0.00    +0.127 A 
ATOM     19  C   LIG    1        3.271  -0.147   1.005  0.00  0.00    +0.069 A 
ATOM     20 CL   LIG    1        3.485  -0.276  -0.701  0.00  0.00    -0.081 Cl
ATOM     21  C   LIG    1        3.070  -1.362   1.677  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        2.870  -1.384   3.056  0.00  0.00    +0.042 A 
ATOM     23 CL   LIG    1        2.626  -2.882   3.861  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        2.870  -0.200   3.784  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        3.069   1.014   3.125  0.00  0.00    +0.032 A 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   2  26
ATOM     26  O   LIG    1       -1.528  -0.050  -2.130  0.00  0.00    -0.454 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -0.971  -1.221  -2.592  0.00  0.00    +0.148 A 
ATOM     28  C   LIG    1       -1.441  -1.701  -3.812  0.00  0.00    +0.069 A 
ATOM     29  C   LIG    1       -0.933  -2.896  -4.310  0.00  0.00    +0.063 A 
ATOM     30 CL   LIG    1       -1.477  -3.513  -5.816  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        0.018  -3.577  -3.564  0.00  0.00    +0.131 A 
ATOM     32  N   LIG    1        0.481  -3.147  -2.365  0.00  0.00    -0.258 NA
ATOM     33  C   LIG    1       -0.029  -1.980  -1.903  0.00  0.00    +0.157 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 7