REMARK  Name = BDB024579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.335  -0.644  -1.965  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.443  -1.268  -1.075  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.758  -2.662  -0.696  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.979  -2.728   0.236  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.607  -3.427  -0.023  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.280  -3.057  -0.650  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.091  -1.580  -0.453  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.847  -1.028  -0.084  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.341  -1.668   0.157  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.209  -0.729   0.472  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.616   0.521   0.436  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.710   0.345   0.085  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.783   1.221  -0.096  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.013   0.665  -0.473  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.183  -0.711  -0.675  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.411  -1.133  -2.301  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.272   1.793   0.730  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -0.731   2.453   2.003  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -1.522   3.722   2.332  0.00  0.00    +0.083 C 
ATOM     20  N   LIG    1       -2.008   4.444   1.155  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -2.068   5.441   1.366  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -1.186   4.221  -0.025  0.00  0.00    +0.083 C 
ATOM     23  C   LIG    1       -1.287   2.762  -0.467  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1        5.756   1.129  -3.448  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1        4.882   0.530  -2.492  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1       -2.639  -0.997   0.818  0.00  0.00    +0.079 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.547  -0.823  -0.401  0.00  0.00    +0.043 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.002  -0.990  -0.039  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1       -5.785   0.126   0.288  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -7.126  -0.034   0.642  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.693  -1.306   0.678  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.920  -2.422   0.360  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.579  -2.265   0.005  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 5