REMARK  Name = BDB049667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.128   0.662   0.747  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.917  -0.439   0.389  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.271  -0.167   0.360  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.513   0.806   0.251  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.428  -1.527   0.102  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.959  -0.617   0.177  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.514  -0.292   1.539  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.990  -0.333   1.661  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.345   0.597   0.630  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.848   0.259  -0.779  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -3.379   0.295  -0.817  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -5.430  -0.778   0.091  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -6.211   0.542   0.070  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.782  -1.677  -1.120  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.783  -2.870  -0.060  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -7.258  -2.076  -1.246  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.329  -1.080   0.177  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        4.606  -0.544  -0.050  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        5.727  -1.373  -0.230  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1        5.547  -2.761  -0.172  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.283  -3.301   0.063  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.180  -2.465   0.240  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1        7.091  -0.756  -0.481  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        8.082  -1.109   0.631  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1        7.645  -1.154  -1.852  0.00  0.00    +0.012 C 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  26
ATOM     26  C   LIG    1        0.661   1.786   1.523  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.007   3.014   0.708  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        1.359   4.191   1.390  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        1.710   5.348   0.691  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.718   5.344  -0.701  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.377   4.185  -1.393  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.026   3.028  -0.695  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8