REMARK  Name = BDB056611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.260   0.640   0.232  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.330  -0.556   0.853  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        0.791  -1.289   1.072  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        2.038  -0.823   0.651  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.095   0.408   0.003  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1        3.412   0.640  -0.318  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1        3.755   1.457  -0.801  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        4.193  -0.400   0.112  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        3.369  -1.323   0.717  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        0.951   1.172  -0.225  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        5.722  -0.497  -0.064  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        6.527   0.434  -0.672  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1        7.796  -0.068  -0.598  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        8.657   0.344  -0.943  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        7.867  -1.260   0.019  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        6.597  -1.521   0.344  0.00  0.00    +0.144 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.425   1.415  -0.002  0.00  0.00    -0.299 N 
ATOM     18  H   LIG    1       -1.257   2.366   0.306  0.00  0.00    +0.154 HD
BRANCH  17  22
ATOM     19  C   LIG    1       -5.538   0.426   0.322  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -4.596  -0.583   0.140  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -3.233  -0.268   0.045  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.779   1.050   0.155  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -3.742   2.058   0.301  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -5.103   1.749   0.396  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -7.374  -1.078   0.390  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -6.891   0.259   0.429  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 4