REMARK  Name = BDB013209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.915   0.057   0.391  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.312   1.210  -0.181  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.060   1.276  -0.161  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.377   2.474  -0.733  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.280   3.096  -1.104  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.876   0.269   0.373  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.315  -0.782   0.909  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.787   2.297  -0.757  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.065  -0.855   0.914  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.176  -0.571   0.651  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        4.605   0.657   1.009  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        3.223   0.855   0.922  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.377  -0.172   0.486  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        2.950  -1.400   0.122  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.332  -1.598   0.209  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.674  -0.782   0.740  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1        7.427   0.963  -0.801  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        7.468  -0.453  -0.452  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1        7.154  -1.288  -1.606  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -3.245   0.418   0.321  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.635   1.028  -0.388  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.131  -0.670   0.695  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.561  -0.200   0.588  0.00  0.00    -0.020 A 
ATOM     24  C   LIG    1       -6.404  -0.509  -0.506  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -7.700  -0.004  -0.522  0.00  0.00    +0.135 A 
ATOM     26  O   LIG    1       -8.353  -0.405  -1.647  0.00  0.00    -0.463 OA
ATOM     27  C   LIG    1       -7.486  -1.167  -2.360  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1       -8.243   0.801   0.475  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -7.407   1.111   1.548  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.278  -1.262  -1.708  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1       -6.098   0.626   1.603  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6