REMARK  Name = BDB023879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.736   4.989  -1.467  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.416   4.534  -0.898  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.368   3.268  -0.327  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.080   2.894   0.290  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.029   1.429   0.539  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.958   0.597   0.952  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.356  -0.682   1.047  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.654  -0.675   0.679  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -3.102   0.578   0.388  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.449   1.000  -0.064  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.573   2.530   0.112  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.431   5.271  -0.958  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.416   0.987   1.258  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.522   0.523   0.489  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.835   0.949   0.806  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1        3.930   0.495   0.011  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        3.663  -0.416  -1.022  0.00  0.00    +0.077 A 
ATOM     18  N   LIG    1        2.417  -0.814  -1.353  0.00  0.00    -0.254 NA
ATOM     19  C   LIG    1        5.333   0.978   0.285  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1        2.991   1.815   1.915  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        1.906   2.260   2.671  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        1.397  -0.345  -0.603  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        0.622   1.851   2.342  0.00  0.00    +0.011 A 
BRANCH  17  24
ATOM     24  C   LIG    1        4.687  -1.034  -1.842  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        5.775  -1.745  -1.377  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        6.430  -2.200  -2.485  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.630  -2.999  -2.517  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        5.841  -1.847  -3.642  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.757  -1.172  -3.245  0.00  0.00    +0.144 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.386  -1.936   0.610  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -2.927  -2.766  -0.597  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.300  -4.225  -0.399  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -2.746  -4.807   0.780  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -2.323  -3.882   1.783  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -3.303  -2.729   1.924  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3