REMARK  Name = BDB015974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.092   2.307  -0.747  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.353   1.522   0.062  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.853   1.962   0.467  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.342   3.199   0.049  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.508   3.933  -0.773  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.707   3.519  -1.182  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.011  -0.070  -1.366  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.776   0.450  -0.945  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.400   1.787  -1.193  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.320   2.595  -1.883  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.557   2.097  -2.300  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.901   0.770  -2.041  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        3.725  -4.980  -0.699  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.213  -3.628  -0.820  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.527  -3.381  -0.678  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.617  -2.060  -0.857  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.364  -1.454  -1.105  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.475  -2.509  -1.078  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.622   3.734   0.446  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.697   3.903  -0.400  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.700   4.422   0.367  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.036   4.758  -0.060  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -4.343   4.623   1.650  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.075   4.206   1.695  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.656   1.104   1.248  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.098   1.635   1.993  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.018  -0.111   1.752  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.023  -1.242   0.701  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -0.218  -2.463   1.202  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1       -1.123  -3.555   1.760  0.00  0.00    +0.076 C 
ATOM     31  C   LIG    1       -2.082  -4.069   0.693  0.00  0.00    +0.249 C 
ATOM     32  F   LIG    1       -1.495  -5.092   0.016  0.00  0.00    -0.206 F 
ATOM     33  F   LIG    1       -3.170  -4.597   1.310  0.00  0.00    -0.206 F 
ATOM     34  C   LIG    1       -2.523  -3.014  -0.314  0.00  0.00    +0.076 C 
ATOM     35  C   LIG    1       -2.466  -1.617   0.294  0.00  0.00    +0.011 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6