REMARK  Name = BDB016411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.856   0.509  -0.028  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -1.212   1.467   0.013  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.654  -0.233  -0.950  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -3.078  -0.204  -0.760  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1       -3.510   0.552   0.345  0.00  0.00    -0.338 N 
ATOM      6  H   LIG    1       -2.777   0.519   1.058  0.00  0.00    +0.146 HD
ATOM      7  C   LIG    1       -4.836   0.419   0.924  0.00  0.00    +0.076 C 
ATOM      8  C   LIG    1       -5.898   0.847  -0.059  0.00  0.00    +0.118 C 
ATOM      9  C   LIG    1       -6.252  -0.210  -1.054  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1       -5.300  -0.870  -1.755  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.725  -1.473  -2.449  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -7.436  -0.461  -1.303  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.050  -0.939   1.589  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -3.893  -0.845  -1.714  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1       -3.283  -1.579  -2.751  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -1.899  -1.641  -2.894  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -1.086  -0.959  -2.002  0.00  0.00    +0.025 A 
ENDBRANCH   1   3
BRANCH   1  22
ATOM     18  C   LIG    1        3.289   0.399   0.872  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1        2.588   1.609   0.850  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        1.229   1.619   0.548  0.00  0.00    +0.145 A 
ATOM     21  F   LIG    1        0.577   2.793   0.537  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        0.525   0.444   0.246  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1        1.224  -0.765   0.297  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        2.592  -0.788   0.600  0.00  0.00    +0.010 A 
BRANCH  18  26
ATOM     25  C   LIG    1        5.593  -0.131   0.280  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1        4.734   0.375   1.184  0.00  0.00    +0.013 C 
BRANCH  25  28
ATOM     27  C   LIG    1        7.758  -0.583  -0.872  0.00  0.00    +0.125 C 
ATOM     28  N   LIG    1        6.966  -0.259   0.299  0.00  0.00    -0.352 N 
ATOM     29  H   LIG    1        7.455   0.303   0.990  0.00  0.00    +0.145 HD
ENDBRANCH  25  28
BRANCH  26  30
ATOM     30  C   LIG    1        5.244   0.904   2.479  0.00  0.00    +0.111 C 
ATOM     31  N   LIG    1        4.516   1.490   3.371  0.00  0.00    -0.307 NA
ATOM     32  H   LIG    1        5.096   1.752   4.176  0.00  0.00    +0.186 HD
ENDBRANCH  26  30
ENDBRANCH  18  26
ENDBRANCH   1  22
TORSDOF 5