REMARK  Name = BDB033984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.577   0.077  -0.731  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.187   0.768  -2.525  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.746  -0.153  -1.596  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        1.899  -1.121  -1.846  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        1.795   1.927  -2.587  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        3.755   1.214  -4.451  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        3.239   0.192  -3.454  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.708  -0.205  -1.546  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -1.892  -0.033  -0.857  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -1.850  -0.040   0.157  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.680  -0.633  -2.700  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.181  -0.424  -1.440  0.00  0.00    +0.091 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.426  -1.948  -1.316  0.00  0.00    +0.058 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.391  -2.484   0.099  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1       -4.554  -2.508   0.881  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.515  -2.981   2.193  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.316  -3.438   2.736  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.155  -3.428   1.965  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.192  -2.957   0.652  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
BRANCH  12  20
ATOM     20  C   LIG    1       -4.311   0.451  -0.847  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -5.624   0.215  -1.449  0.00  0.00    -0.328 NA
ATOM     22  H   LIG    1       -6.296   0.871  -1.050  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1       -5.583   0.432  -2.446  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  12  20
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1        0.534   1.424   0.005  0.00  0.00    +0.088 C 
BRANCH  24  25
ATOM     25  C   LIG    1        1.687   1.603   0.931  0.00  0.00    +0.062 A 
ATOM     26  N   LIG    1        1.736   0.915   2.123  0.00  0.00    -0.233 NA
ATOM     27  C   LIG    1        2.860   1.289   2.697  0.00  0.00    +0.138 A 
ATOM     28  N   LIG    1        3.552   2.207   1.911  0.00  0.00    -0.305 N 
ATOM     29  C   LIG    1        4.773   2.767   2.272  0.00  0.00    +0.112 A 
ATOM     30  C   LIG    1        5.326   2.411   3.442  0.00  0.00    +0.058 A 
ATOM     31  C   LIG    1        4.637   1.456   4.297  0.00  0.00    +0.025 A 
ATOM     32 CL   LIG    1        6.831   3.057   3.958  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1        3.454   0.919   3.937  0.00  0.00    +0.048 A 
ATOM     34  C   LIG    1        2.798   2.408   0.786  0.00  0.00    +0.116 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10