REMARK  Name = BDB016154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.519   0.282  -1.388  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1       -1.669   0.098  -0.551  0.00  0.00    +0.058 A 
ATOM      3  N   LIG    1       -1.549   0.462   0.792  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.580   0.506   1.101  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.471   0.106   1.852  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.847   0.659   1.576  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.630  -0.182   0.624  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.115  -0.552  -0.572  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.821  -1.015  -1.131  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.792  -0.506   0.885  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.413  -1.379   2.197  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.854  -0.363  -1.172  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.840  -0.704  -2.543  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.710  -0.532  -3.332  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.558  -0.022  -2.760  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  24
ATOM     16  N   LIG    1        1.939   0.135  -0.741  0.00  0.00    -0.340 N 
ATOM     17  C   LIG    1        2.939   0.981  -0.281  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        2.354   2.229  -0.062  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.147   3.285   0.428  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        4.504   3.068   0.681  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.074   1.820   0.450  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        0.990   2.121  -0.429  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1        4.305   0.757  -0.036  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        0.748   0.831  -0.868  0.00  0.00    +0.052 A 
BRANCH  16  25
ATOM     25  C   LIG    1        2.156  -1.269  -1.063  0.00  0.00    +0.122 C 
BRANCH  25  27
ATOM     26  C   LIG    1        1.089  -2.276   1.019  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        2.334  -2.181   0.153  0.00  0.00    +0.018 C 
ENDBRANCH  25  27
ENDBRANCH  16  25
ENDBRANCH   1  24
TORSDOF 3