REMARK  Name = BDB052896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.629  -0.218  -1.088  0.00  0.00    +0.134 C 
ATOM      2  C   LIG    1       -2.341   0.690  -0.048  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1       -3.794   0.717  -0.345  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -4.239   0.454  -1.614  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1       -5.596   0.595  -1.574  0.00  0.00    -0.260 N 
ATOM      6  H   LIG    1       -6.249   0.481  -2.339  0.00  0.00    +0.191 HD
ATOM      7  N   LIG    1       -6.061   0.921  -0.348  0.00  0.00    -0.180 NA
ATOM      8  N   LIG    1       -3.534   0.128  -2.716  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -4.953   0.998   0.399  0.00  0.00    +0.140 A 
ATOM     10  C   LIG    1       -2.279  -0.163  -2.491  0.00  0.00    +0.031 C 
ATOM     11  C   LIG    1       -1.449  -0.579  -3.685  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -2.054   0.283   1.367  0.00  0.00    +0.113 A 
ATOM     13  O   LIG    1       -1.993  -1.055   1.640  0.00  0.00    -0.467 OA
ATOM     14  C   LIG    1       -1.730  -1.180   2.966  0.00  0.00    +0.195 A 
ATOM     15  C   LIG    1       -1.594   0.058   3.548  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -1.801   1.005   2.517  0.00  0.00    +0.045 A 
ENDBRANCH   2  12
BRANCH   1  19
ATOM     17  N   LIG    1        0.576  -0.562  -0.145  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1        0.051  -1.174   0.475  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -0.154   0.152  -1.082  0.00  0.00    +0.227 C 
ATOM     20  O   LIG    1        0.285   1.024  -1.825  0.00  0.00    -0.275 OA
BRANCH  17  24
ATOM     21  C   LIG    1        4.694  -0.404   0.795  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        3.806  -1.196   1.522  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        2.448  -1.231   1.192  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        1.956  -0.471   0.126  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.847   0.318  -0.603  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        4.209   0.352  -0.270  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.935   0.334   0.510  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        5.992  -0.460   1.221  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  17  24
ENDBRANCH   1  19
TORSDOF 4