REMARK  Name = BDB034753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.158  -1.354   3.836  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -2.133  -1.228   2.408  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.977  -1.174   1.623  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.365  -1.128   0.286  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.434  -1.114  -0.736  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.934  -1.103  -0.400  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        1.301  -1.165   0.965  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -2.771  -1.131   0.241  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.348  -1.194   1.992  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.263  -1.246   1.565  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -4.428  -1.355   1.911  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        1.883  -1.125  -1.447  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        1.467  -0.969  -2.360  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.244  -0.722  -1.456  0.00  0.00    +0.145 A 
ATOM     15  C   LIG    1        4.012  -0.973  -2.591  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        3.374  -1.701  -4.014  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        5.335  -0.591  -2.540  0.00  0.00    +0.136 A 
ATOM     18  N   LIG    1        5.901  -0.002  -1.470  0.00  0.00    -0.234 NA
ATOM     19  C   LIG    1        5.088   0.200  -0.417  0.00  0.00    +0.168 A 
ATOM     20  N   LIG    1        3.788  -0.139  -0.368  0.00  0.00    -0.210 NA
BRANCH  19  21
ATOM     21  C   LIG    1        5.692   0.836   0.758  0.00  0.00    +0.056 A 
ATOM     22  S   LIG    1        4.766   1.163   2.171  0.00  0.00    -0.094 S 
ATOM     23  C   LIG    1        6.102   1.849   2.985  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        7.239   1.837   2.212  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        7.003   1.256   0.932  0.00  0.00    +0.019 A 
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  26
ATOM     26  C   LIG    1       -3.582  -1.181  -0.955  0.00  0.00    +0.130 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.518   0.093  -1.813  0.00  0.00    +0.056 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.609   1.146  -1.537  0.00  0.00    +0.062 C 
ATOM     29  C   LIG    1       -4.647   1.608  -0.082  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -4.396   2.360  -2.451  0.00  0.00    +0.041 C 
BRANCH  28  31
ATOM     31  O   LIG    1       -5.887   0.583  -1.847  0.00  0.00    -0.389 OA
ATOM     32  H   LIG    1       -5.940   0.447  -2.808  0.00  0.00    +0.210 HD
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 7