REMARK  Name = BDB009656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.420  -1.808   0.163  0.00  0.00    -0.170 NA
ATOM      2  S   LIG    1        1.988  -1.859   0.832  0.00  0.00    +0.036 S 
ATOM      3  O   LIG    1        2.678  -3.036   0.356  0.00  0.00    -0.158 OA
ATOM      4  O   LIG    1        1.879  -1.577   2.247  0.00  0.00    -0.158 OA
ATOM      5  C   LIG    1        2.690  -0.415   0.040  0.00  0.00    +0.159 C 
ATOM      6  C   LIG    1        1.845   0.822   0.386  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1        0.350   0.720  -0.023  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.346  -0.570   0.545  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -0.314   2.038   0.385  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1       -0.532   3.030  -0.588  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -1.131   4.242  -0.241  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.401   5.435  -1.451  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.511   4.492   1.074  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.284   3.525   2.051  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -0.685   2.309   1.712  0.00  0.00    +0.004 A 
ENDBRANCH   7   9
BRANCH   8  16
ATOM     16  C   LIG    1       -1.860  -0.702   0.385  0.00  0.00    -0.028 A 
ATOM     17  C   LIG    1       -2.554  -1.518   1.302  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -3.941  -1.673   1.228  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -4.654  -1.012   0.234  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -6.361  -1.199   0.135  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -3.992  -0.202  -0.684  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.603  -0.049  -0.609  0.00  0.00    +0.006 A 
ENDBRANCH   8  16
BRANCH   1  24
ATOM     23  C   LIG    1        0.115  -1.661  -2.371  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        0.199  -2.536  -1.130  0.00  0.00    +0.074 C 
ATOM     25  C   LIG    1       -0.989  -3.490  -1.025  0.00  0.00    +0.025 C 
ENDBRANCH   1  24
BRANCH   5  26
ATOM     26  C   LIG    1        4.145  -0.259   0.493  0.00  0.00    +0.148 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.895   0.681  -0.403  0.00  0.00    +0.307 C 
ATOM     28  O   LIG    1        4.520   1.125  -1.474  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        6.102   1.001   0.096  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        6.503   1.596  -0.573  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6