REMARK  Name = BDB011978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.361   0.619  -0.595  0.00  0.00    +0.180 C 
ATOM      2  C   LIG    1       -1.591   1.706   0.437  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1       -2.949   1.711   1.149  0.00  0.00    +0.031 C 
ATOM      4  N   LIG    1       -1.218   3.000  -0.172  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.956   3.756  -1.093  0.00  0.00    +0.217 C 
ATOM      6  O   LIG    1       -1.486   4.715  -1.715  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -3.393   3.394  -1.349  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.138   3.371   0.069  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        1.227   2.467   0.012  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        2.471   2.987   0.458  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        2.656   4.315   0.860  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        1.591   5.190   0.843  0.00  0.00    +0.002 A 
ATOM     13  N   LIG    1        1.194   1.101  -0.499  0.00  0.00    -0.259 N 
ATOM     14  C   LIG    1        0.343   4.717   0.462  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        0.121   0.233  -0.704  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1        0.352  -0.950  -1.032  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -3.293  -0.937  -0.856  0.00  0.00    +0.230 C 
ATOM     18  N   LIG    1       -2.071  -0.638  -0.295  0.00  0.00    -0.301 N 
ATOM     19  H   LIG    1       -1.472  -1.425  -0.057  0.00  0.00    +0.150 HD
ATOM     20  O   LIG    1       -3.939  -0.126  -1.516  0.00  0.00    -0.274 OA
BRANCH  17  21
ATOM     21  C   LIG    1       -3.768  -2.389  -0.613  0.00  0.00    +0.137 C 
ATOM     22  C   LIG    1       -3.380  -3.215  -1.838  0.00  0.00    +0.034 C 
BRANCH  21  24
ATOM     23  C   LIG    1       -5.808  -3.666  -0.141  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -5.213  -2.354  -0.327  0.00  0.00    -0.309 NA
ATOM     25  H   LIG    1       -5.683  -1.852  -1.084  0.00  0.00    +0.122 HD
ENDBRANCH  21  24
ENDBRANCH  17  21
ENDBRANCH   1  18
BRANCH  13  26
ATOM     26  C   LIG    1        2.489   0.460  -0.820  0.00  0.00    +0.209 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.046  -0.374   0.349  0.00  0.00    +0.235 C 
ATOM     28  N   LIG    1        4.024  -1.266  -0.070  0.00  0.00    -0.284 N 
ATOM     29  H   LIG    1        4.179  -1.343  -1.068  0.00  0.00    +0.155 HD
ATOM     30  O   LIG    1        2.679  -0.195   1.507  0.00  0.00    -0.274 OA
BRANCH  28  31
ATOM     31  C   LIG    1        4.788  -2.143   0.729  0.00  0.00    +0.033 A 
ATOM     32  C   LIG    1        4.708  -2.205   2.122  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1        5.507  -3.102   2.839  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        6.393  -3.943   2.171  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        6.482  -3.889   0.783  0.00  0.00    +0.002 A 
ATOM     36  C   LIG    1        5.684  -2.993   0.067  0.00  0.00    +0.023 A 
ENDBRANCH  28  31
ENDBRANCH  26  27
ENDBRANCH  13  26
TORSDOF 6