REMARK  Name = BDB043091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.038   0.063   0.139  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.201  -0.090  -1.150  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        1.053   0.853  -1.931  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.657  -1.342  -1.383  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        1.069  -2.530  -0.660  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.630  -3.707  -1.533  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -0.371  -3.150  -2.555  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1       -1.831  -3.527  -2.267  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -2.530  -2.595  -1.287  0.00  0.00    +0.108 C 
ATOM     10  N   LIG    1       -2.386  -1.184  -1.629  0.00  0.00    -0.299 N 
ATOM     11  C   LIG    1       -1.434  -0.834  -2.691  0.00  0.00    +0.130 C 
ATOM     12  C   LIG    1       -3.167  -0.171  -1.068  0.00  0.00    +0.220 C 
ATOM     13  O   LIG    1       -3.142   0.980  -1.504  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.546  -2.587   0.781  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1        0.150  -1.242   1.391  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -0.118  -1.633  -2.590  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        1.242  -0.172   1.428  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        3.760   1.720   0.829  0.00  0.00    +0.230 C 
ATOM     19  N   LIG    1        2.623   1.403   0.129  0.00  0.00    -0.303 N 
ATOM     20  H   LIG    1        2.207   2.059  -0.526  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        4.304   0.907   1.579  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     22  C   LIG    1        4.258   3.184   0.680  0.00  0.00    +0.137 C 
ATOM     23  C   LIG    1        4.228   3.701  -0.758  0.00  0.00    +0.034 C 
BRANCH  22  25
ATOM     24  C   LIG    1        6.689   2.766   0.539  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1        5.594   3.339   1.315  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1        5.550   2.832   2.205  0.00  0.00    +0.122 HD
ENDBRANCH  22  25
ENDBRANCH  18  22
ENDBRANCH   1  19
BRANCH  12  27
ATOM     27  C   LIG    1       -4.071  -0.574   0.096  0.00  0.00    +0.131 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.487   0.577   0.983  0.00  0.00    -0.039 A 
ATOM     29  C   LIG    1       -5.702   1.241   0.766  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.082   2.305   1.586  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.250   2.719   2.625  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.035   2.072   2.842  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.652   1.008   2.025  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  12  27
TORSDOF 5