REMARK  Name = BDB057281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.442  -0.054   2.049  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.230  -1.188   1.637  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1        0.539  -1.625   0.273  0.00  0.00    +0.142 C 
ATOM      4  C   LIG    1        0.840  -3.123   0.419  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1        1.378  -3.245   1.840  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.544  -2.230   2.601  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -0.865   0.035   3.205  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.714  -0.880  -0.284  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1        1.607  -0.117  -1.426  0.00  0.00    -0.340 N 
ATOM     10  H   LIG    1        0.745   0.062  -1.933  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        2.829   0.447  -1.685  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1        3.646  -0.025  -0.665  0.00  0.00    +0.089 A 
ATOM     13  C   LIG    1        4.992   0.368  -0.630  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        5.466   1.231  -1.626  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.617   1.693  -2.636  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.272   1.311  -2.687  0.00  0.00    +0.028 A 
ATOM     17  N   LIG    1        2.946  -0.842   0.188  0.00  0.00    -0.231 NA
ENDBRANCH   3   8
BRANCH   1  18
ATOM     18  C   LIG    1       -0.757   1.042   1.001  0.00  0.00    +0.162 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.108   0.442  -1.017  0.00  0.00    +0.230 C 
ATOM     20  N   LIG    1       -2.013   0.689   0.333  0.00  0.00    -0.302 N 
ATOM     21  H   LIG    1       -2.820   0.565   0.931  0.00  0.00    +0.150 HD
ATOM     22  O   LIG    1       -1.132   0.517  -1.767  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -3.538   0.106  -1.524  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1       -4.193  -1.026  -0.733  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1       -3.010  -1.442  -3.381  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -3.528  -0.137  -2.987  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1       -2.933   0.581  -3.410  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH  18  20
BRANCH  18  28
ATOM     28  C   LIG    1       -0.819   2.487   1.557  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        0.518   2.897   2.181  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -1.967   2.771   2.531  0.00  0.00    +0.009 C 
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 6