REMARK  Name = BDB030097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.826  -2.746  -1.727  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -1.323  -3.629  -1.586  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.374  -1.511  -1.445  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -0.693  -0.487  -1.431  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.827  -1.450  -1.136  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.632  -2.586  -1.074  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -3.105  -3.802  -1.294  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.988  -2.471  -0.776  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -5.984  -3.874  -0.697  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.552  -1.218  -0.537  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -4.764  -0.060  -0.593  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.400  -0.188  -0.893  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.382   1.232  -0.338  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -6.708   1.367   0.012  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -6.908   2.656   0.159  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -5.768   3.363  -0.081  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -5.638   4.796  -0.013  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -4.781   2.472  -0.400  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.664  -2.839  -1.888  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.115  -2.007  -2.286  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.531  -3.542  -0.611  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.750  -4.674  -0.154  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.896  -3.700  -1.056  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        1.457  -2.280   0.663  0.00  0.00    +0.190 C 
BRANCH  24  27
ATOM     25  C   LIG    1        4.375   0.233   0.783  0.00  0.00    +0.119 C 
ATOM     26  C   LIG    1        3.694  -1.087   0.415  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1        2.160  -0.957   0.315  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        1.626   0.186   1.205  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        2.451   0.355   2.474  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1        3.903   0.719   2.162  0.00  0.00    +0.031 C 
BRANCH  25  31
ATOM     31  O   LIG    1        5.786   0.007   0.795  0.00  0.00    -0.377 OA
BRANCH  31  33
ATOM     32  C   LIG    1        6.751   1.598  -0.759  0.00  0.00    +0.034 C 
ATOM     33  C   LIG    1        6.581   1.185   0.692  0.00  0.00    +0.157 C 
ENDBRANCH  31  33
ENDBRANCH  25  31
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8