REMARK  Name = BDB021035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.367   5.192   1.202  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -5.024   3.847   0.808  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -5.131   3.646  -0.174  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.921   3.247   1.366  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.660   1.969   0.888  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.479   1.321   1.460  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -2.129   0.084   0.712  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.945  -0.468  -0.244  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -2.329  -1.574  -0.755  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.173  -1.777  -0.162  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -4.212   0.107  -0.642  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -1.034  -0.758   0.751  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -4.724   1.069   0.424  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -3.223   3.804   2.208  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.133  -0.612   1.602  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.444  -0.529   1.056  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        2.542  -0.373   1.923  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        3.836  -0.276   1.387  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        4.048  -0.316   0.008  0.00  0.00    +0.122 A 
ATOM     20  N   LIG    1        3.010  -0.485  -0.832  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1        2.330  -0.320   3.310  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.046  -0.415   3.843  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        1.761  -0.584  -0.308  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -0.048  -0.561   2.993  0.00  0.00    +0.011 A 
BRANCH  19  25
ATOM     25  N   LIG    1        5.336  -0.231  -0.516  0.00  0.00    -0.311 N 
ATOM     26  C   LIG    1        5.447  -0.470  -1.965  0.00  0.00    +0.134 C 
ATOM     27  C   LIG    1        6.921  -0.350  -2.385  0.00  0.00    +0.178 C 
ATOM     28  O   LIG    1        7.500   0.940  -2.126  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        6.795   1.684  -1.122  0.00  0.00    +0.178 C 
ATOM     30  C   LIG    1        6.236   0.809   0.014  0.00  0.00    +0.134 C 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -2.882  -2.497  -1.878  0.00  0.00    +0.066 C 
ATOM     32  C   LIG    1       -3.373  -3.874  -1.384  0.00  0.00    +0.086 C 
ATOM     33  C   LIG    1       -2.781  -4.464  -2.684  0.00  0.00    +0.250 C 
ATOM     34  F   LIG    1       -2.212  -5.684  -2.575  0.00  0.00    -0.206 F 
ATOM     35  F   LIG    1       -3.644  -4.525  -3.725  0.00  0.00    -0.206 F 
ATOM     36  C   LIG    1       -1.817  -3.258  -2.701  0.00  0.00    +0.086 C 
ENDBRANCH   9  31
TORSDOF 3