REMARK  Name = BDB049803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.038  -0.497   2.191  0.00  0.00    +0.282 C 
ATOM      2  N   LIG    1       -1.204  -0.913   1.144  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.277  -0.388  -0.218  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.276  -1.040  -1.171  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1        1.117  -1.063  -0.531  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        1.089  -1.793   0.826  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1       -0.321  -2.053   1.354  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -1.971  -1.032   3.300  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -4.889   3.158   0.420  0.00  0.00    +0.064 A 
ATOM     10  C   LIG    1       -4.239   2.181   1.202  0.00  0.00    +0.102 A 
ATOM     11  C   LIG    1       -4.611   2.034   2.536  0.00  0.00    +0.067 A 
ATOM     12  N   LIG    1       -3.817   1.021   3.002  0.00  0.00    -0.334 N 
ATOM     13  H   LIG    1       -3.810   0.633   3.935  0.00  0.00    +0.168 HD
ATOM     14  C   LIG    1       -2.998   0.585   1.984  0.00  0.00    +0.195 A 
ATOM     15  C   LIG    1       -5.597   2.805   3.155  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -6.231   3.770   2.368  0.00  0.00    +0.003 A 
ATOM     17  N   LIG    1       -3.236   1.278   0.883  0.00  0.00    -0.223 NA
ATOM     18  C   LIG    1       -5.887   3.946   1.025  0.00  0.00    +0.015 A 
BRANCH   9  22
ATOM     19  N   LIG    1       -3.583   2.606  -1.557  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -3.322   2.760  -2.520  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -3.081   1.923  -0.999  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1       -4.561   3.382  -1.007  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1       -5.137   4.233  -1.674  0.00  0.00    -0.270 OA
ENDBRANCH   9  22
ENDBRANCH   1  14
BRANCH   5  24
ATOM     24  N   LIG    1        2.044  -1.666  -1.495  0.00  0.00    -0.310 NA
ATOM     25  H   LIG    1        2.040  -2.683  -1.427  0.00  0.00    +0.122 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.416  -1.148  -1.460  0.00  0.00    +0.054 C 
ATOM     27  C   LIG    1        4.221  -1.639  -0.248  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        5.681  -1.190  -0.315  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1        6.346  -1.614  -1.619  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        5.556  -1.129  -2.830  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        4.101  -1.587  -2.767  0.00  0.00    +0.019 C 
ENDBRANCH  24  26
ENDBRANCH   5  24
TORSDOF 4