REMARK  Name = BDB017056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.149  -0.430   0.792  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        1.199  -0.199   0.723  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.683  -1.122  -0.186  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.641  -1.903  -0.652  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.438  -1.466  -0.046  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.075  -1.282  -0.611  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.338  -2.345  -1.411  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.607  -2.529  -1.825  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.653  -1.696  -1.480  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        5.384  -0.602  -0.658  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        4.072  -0.394  -0.218  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.446   0.311  -0.262  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        7.734   0.198  -0.634  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        8.255   1.264  -0.009  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        9.242   1.499  -0.070  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        7.401   2.006   0.703  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        6.230   1.404   0.549  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.097   0.277   1.631  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.655   1.541   0.972  0.00  0.00    +0.060 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.960   0.843   0.141  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -2.639   1.247  -0.140  0.00  0.00    -0.004 A 
ATOM     22  C   LIG    1       -2.216   1.351  -1.475  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.090   1.061  -2.519  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.393   0.663  -2.240  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.826   0.551  -0.916  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -4.276   0.748   1.470  0.00  0.00    -0.492 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -5.877  -1.002   1.965  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -5.627   0.491   1.850  0.00  0.00    +0.225 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7