REMARK  Name = BDB057237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.021  -2.155   0.491  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.826  -1.264  -0.241  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        2.115  -0.925   0.199  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        2.583  -1.488   1.395  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.789  -2.367   2.134  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.512  -2.696   1.685  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.973  -0.007  -0.541  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1        4.198   0.439  -0.050  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        4.658   1.221  -0.989  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1        5.865   2.036  -1.220  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1        5.763   2.311  -2.743  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        4.276   2.142  -3.108  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1        3.798   1.299  -2.036  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1        2.720   0.530  -1.799  0.00  0.00    +0.115 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  C   LIG    1       -1.374  -2.487   0.028  0.00  0.00    +0.139 C 
BRANCH  15  18
ATOM     16  O   LIG    1       -3.171  -3.284   2.060  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.153  -2.108   1.702  0.00  0.00    +0.218 C 
ATOM     18  N   LIG    1       -2.337  -1.645   0.697  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -2.298  -0.651   0.514  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1       -3.995  -1.056   2.409  0.00  0.00    +0.130 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.500   0.065   1.530  0.00  0.00    -0.039 A 
ATOM     22  C   LIG    1       -5.478  -0.185   0.557  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.933   0.844  -0.268  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.416   2.130  -0.129  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.445   2.390   0.837  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.988   1.363   1.664  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5