REMARK  Name = BDB049273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.599   0.365   0.080  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        3.016   1.588  -0.280  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        1.671   1.750  -0.509  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        1.438   3.006  -0.835  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        2.638   3.683  -0.805  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.844   0.603  -0.355  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        1.474  -0.531   0.024  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.570   2.822  -0.464  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        2.831  -0.680   0.236  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.628   0.593  -0.534  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1       -1.267  -0.409  -1.279  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -2.656  -0.402  -1.442  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.438   0.611  -0.871  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -2.801   1.621  -0.139  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -1.412   1.612   0.024  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -4.939   0.622  -1.061  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -5.592  -0.578  -0.530  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -5.535  -0.665   0.931  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -6.593  -1.709   1.258  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -7.552  -1.693   0.073  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -7.020  -0.610  -0.851  0.00  0.00    +0.085 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  22
ATOM     22  N   LIG    1        4.962   0.302   0.265  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        5.547   0.984  -0.207  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.643  -0.975   0.411  0.00  0.00    +0.178 C 
BRANCH  24  27
ATOM     25  C   LIG    1        9.302  -0.846   1.051  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        8.047  -1.389   1.417  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        7.119  -0.833   0.561  0.00  0.00    +0.122 A 
ATOM     28  O   LIG    1        7.739   0.024  -0.305  0.00  0.00    -0.466 OA
ATOM     29  C   LIG    1        9.062   0.006  -0.001  0.00  0.00    +0.195 A 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6