REMARK  Name = BDB048391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.988   5.375  -0.102  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        2.709   4.600   0.085  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        2.770   3.220  -0.063  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.479   2.510   0.039  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1        1.687   1.047   0.204  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.768  -0.006   0.461  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        1.408  -1.180   0.514  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1        2.705  -0.894   0.292  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1        2.918   0.436   0.106  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        4.196   1.140  -0.144  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        3.881   2.524  -0.751  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        1.665   5.188   0.367  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -0.561   0.222   0.609  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.874   1.184   0.569  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -1.635  -0.648   0.909  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -2.941  -0.130   0.891  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -4.046  -0.953   1.144  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -3.867  -2.301   1.458  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -2.581  -2.832   1.470  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -1.481  -2.012   1.187  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.398  -0.350   1.137  0.00  0.00    +0.246 C 
ATOM     22  N   LIG    1       -6.408  -0.957   0.392  0.00  0.00    -0.304 N 
ATOM     23  C   LIG    1       -6.179  -1.874  -0.716  0.00  0.00    +0.132 C 
ATOM     24  C   LIG    1       -7.759  -0.441   0.524  0.00  0.00    +0.132 C 
ATOM     25  O   LIG    1       -5.568   0.666   1.808  0.00  0.00    -0.270 OA
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  26
ATOM     26  C   LIG    1        3.697  -1.960   0.338  0.00  0.00    +0.147 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.017  -2.625  -0.974  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        3.744  -2.017  -2.330  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        2.930  -3.190  -1.855  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 5