REMARK  Name = BDB028408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.775  -1.827   1.027  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        1.091  -2.953   1.760  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        2.336  -3.259   2.428  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1        0.079  -3.838   1.853  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.899  -3.283   1.138  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.531  -2.033   0.600  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.313  -1.103  -0.191  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1       -2.534  -0.630   0.296  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.290   0.284  -0.454  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.831   0.734  -1.700  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1       -3.672   1.711  -2.430  0.00  0.00    +0.274 A 
ATOM     12  N   LIG    1       -4.843   2.088  -1.819  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -5.422   2.757  -2.319  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -5.305   1.664  -0.620  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.373   2.184  -3.518  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.610   0.246  -2.192  0.00  0.00    +0.055 A 
ATOM     17 CL   LIG    1       -0.915   0.701  -3.708  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -4.588   0.808   0.047  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -0.864  -0.671  -1.440  0.00  0.00    +0.029 A 
BRANCH  18  20
ATOM     20  C   LIG    1       -5.106   0.323   1.407  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -6.402   0.931   1.727  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1       -6.295   1.946   1.653  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -7.045   0.714   0.961  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6   7
BRANCH   1  26
ATOM     24  C   LIG    1        3.561   0.445  -0.230  0.00  0.00    +0.138 A 
ATOM     25  C   LIG    1        2.746  -0.696  -0.075  0.00  0.00    +0.102 A 
ATOM     26  C   LIG    1        1.672  -0.682   0.839  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        1.423   0.477   1.587  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        2.228   1.603   1.432  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.291   1.587   0.528  0.00  0.00    +0.047 A 
BRANCH  25  30
ATOM     30  C   LIG    1        3.010  -1.868  -0.864  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1        3.203  -2.836  -1.476  0.00  0.00    -0.191 NA
ENDBRANCH  25  30
BRANCH  24  32
ATOM     32  O   LIG    1        4.577   0.336  -1.143  0.00  0.00    -0.491 OA
BRANCH  32  34
ATOM     33  C   LIG    1        4.884   2.393  -2.396  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        5.460   1.434  -1.369  0.00  0.00    +0.226 C 
ENDBRANCH  32  34
ENDBRANCH  24  32
ENDBRANCH   1  26
TORSDOF 7