REMARK  Name = BDB023400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.028   2.618  -1.353  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -0.424   3.782  -0.629  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.025   2.740  -2.400  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -1.961  -0.383  -3.212  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -0.976   0.451  -2.657  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -1.310   1.672  -2.031  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -2.636   2.085  -1.958  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -3.624   1.280  -2.527  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -3.292   0.062  -3.131  0.00  0.00    +0.008 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -0.122  -2.055  -3.921  0.00  0.00    +0.015 C 
ATOM     11  C   LIG    1       -1.631  -1.722  -3.895  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -2.118  -1.694  -5.360  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -2.340  -2.870  -3.146  0.00  0.00    +0.015 C 
ENDBRANCH   4  11
BRANCH   7  14
ATOM     14  O   LIG    1       -2.969   3.297  -1.426  0.00  0.00    -0.490 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -3.892   3.189  -0.335  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.877   4.484   0.419  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -2.908   4.696   1.554  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -4.377   4.551   1.840  0.00  0.00    +0.007 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  N   LIG    1        0.694   1.579  -0.248  0.00  0.00    -0.179 N 
ATOM     20  H   LIG    1        1.663   1.330  -0.422  0.00  0.00    +0.177 HD
ATOM     21  C   LIG    1        0.036   1.089   0.881  0.00  0.00    +0.298 C 
ATOM     22  O   LIG    1       -1.142   1.302   1.125  0.00  0.00    -0.265 OA
BRANCH  21  23
ATOM     23  C   LIG    1        0.903   0.276   1.705  0.00  0.00    +0.192 A 
ATOM     24  O   LIG    1        2.197   0.048   1.305  0.00  0.00    -0.450 OA
ATOM     25  C   LIG    1        2.779  -0.739   2.251  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1        1.875  -1.028   3.261  0.00  0.00    +0.056 A 
ATOM     27  C   LIG    1        2.320  -1.832   4.314  0.00  0.00    +0.134 A 
ATOM     28  C   LIG    1        3.636  -2.311   4.319  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        4.550  -2.011   3.289  0.00  0.00    -0.038 A 
ATOM     30  F   LIG    1        1.498  -2.152   5.323  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        4.096  -1.200   2.226  0.00  0.00    +0.051 A 
ATOM     32  C   LIG    1        0.668  -0.373   2.904  0.00  0.00    +0.066 A 
BRANCH  29  33
ATOM     33  C   LIG    1        5.983  -2.518   3.273  0.00  0.00    +0.019 C 
ATOM     34  C   LIG    1        6.755  -2.757   4.547  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        6.311  -3.925   3.713  0.00  0.00    +0.009 C 
ENDBRANCH  29  33
ENDBRANCH  21  23
ENDBRANCH   1  19
TORSDOF 8