REMARK  Name = BDB021253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.899   0.467   0.452  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        2.028  -0.553   0.937  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.692  -0.447   0.603  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.036  -1.482   1.229  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.021  -2.194   1.873  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.190   0.590  -0.202  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.992   1.526  -0.630  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.254  -1.621   1.680  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        2.328   1.433  -0.301  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.515  -0.591   0.828  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1        5.143  -0.644   0.567  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        4.356   0.506   0.707  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        5.007   1.666   1.129  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        6.336   1.752   1.383  0.00  0.00    -0.261 NA
ATOM     15  C   LIG    1        7.059   0.619   1.227  0.00  0.00    +0.129 A 
BRANCH  10  17
ATOM     16  N   LIG    1        8.021  -2.679   0.562  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        7.343  -1.746   0.686  0.00  0.00    +0.101 C 
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   5  18
ATOM     18  C   LIG    1        0.853  -3.374   2.665  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        0.675  -4.332   3.298  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -1.148   0.650  -0.525  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.317   1.576  -0.921  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.698  -0.329  -1.462  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.143  -0.021  -1.731  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.131  -0.133  -0.756  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.044  -0.588   0.652  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.428  -0.159   1.141  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.314  -0.045   0.004  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.462   0.134  -1.054  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -5.875   0.520  -2.314  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -4.901   0.652  -3.303  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -3.558   0.384  -3.007  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -2.652   0.514  -3.987  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6