REMARK  Name = BDB015496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.932  -1.303  -0.437  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.973   0.031  -0.283  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.189   0.701  -0.414  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.373   0.057  -0.691  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.296  -1.310  -0.779  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.170  -2.020  -0.684  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.128   2.177  -0.262  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.985   2.822  -0.661  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.124   4.197  -0.560  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        2.362   4.798  -1.032  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.124   5.015  -0.040  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        0.205   6.239   0.044  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.109   4.311   0.440  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.179   5.164   1.044  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.195   2.976   0.323  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -2.404  -2.140  -1.091  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -2.022  -3.087  -1.169  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -3.644  -2.156   0.060  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -3.291  -3.158   1.040  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.942  -0.793   0.450  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -5.031  -2.759  -0.925  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -4.751  -4.134  -1.521  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -6.295  -2.793  -0.070  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        2.100  -2.049  -0.323  0.00  0.00    -0.422 OA
BRANCH  24  26
ATOM     25  C   LIG    1        3.839  -1.192   1.088  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1        3.265  -1.327  -0.190  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1        3.908  -0.796  -1.318  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1        3.266  -0.996  -2.910  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        5.106  -0.096  -1.174  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1        5.673   0.060   0.090  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        5.048  -0.489   1.211  0.00  0.00    +0.007 A 
BRANCH  25  33
ATOM     32  C   LIG    1        3.553  -3.270   2.469  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        3.204  -1.798   2.316  0.00  0.00    +0.035 C 
ENDBRANCH  25  33
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7