REMARK  Name = BDB028318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.813   0.464   1.372  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.072  -0.579   0.617  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.732  -1.779   0.381  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.096  -2.813  -0.312  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.792  -2.636  -0.780  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.106  -1.427  -0.570  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -5.114  -1.948   0.859  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -5.729  -2.992   0.678  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.664  -0.870   1.508  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.618  -0.967   1.842  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.767  -0.402   0.135  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.042   0.310   1.774  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.262  -1.236  -1.076  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.295  -0.764  -0.253  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.578  -0.583  -0.767  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        2.810  -0.918  -2.094  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        1.847  -1.372  -2.928  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        0.606  -1.514  -2.402  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        3.551  -0.149   0.098  0.00  0.00    -0.454 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.440   0.791  -0.367  0.00  0.00    +0.131 A 
ATOM     21  C   LIG    1        4.035   1.954  -1.016  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1        5.016   2.847  -1.407  0.00  0.00    +0.114 A 
ATOM     23  N   LIG    1        6.335   2.659  -1.182  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        6.690   1.532  -0.528  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1        5.787   0.578  -0.097  0.00  0.00    +0.066 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  26
ATOM     26  C   LIG    1       -3.134   1.790   1.707  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.119   2.639   0.514  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -4.087   2.783   0.214  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -2.780   3.565   0.774  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 5