REMARK  Name = BDB049267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.434  -0.253  -0.604  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1        2.496   0.288   0.058  0.00  0.00    +0.124 A 
ATOM      3  N   LIG    1        2.188   1.355   0.943  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1        0.915   1.834   1.202  0.00  0.00    +0.167 A 
ATOM      5  N   LIG    1        0.975   2.820   2.072  0.00  0.00    -0.129 NA
ATOM      6  N   LIG    1        2.293   3.022   2.392  0.00  0.00    -0.137 NA
ATOM      7  C   LIG    1       -0.195   1.244   0.531  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -1.615   1.709   0.815  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -2.659   0.773   0.361  0.00  0.00    -0.294 NA
ATOM     10  C   LIG    1       -2.411   0.401  -1.034  0.00  0.00    +0.090 C 
ATOM     11  C   LIG    1       -1.086  -0.369  -1.144  0.00  0.00    +0.052 C 
ATOM     12  C   LIG    1        3.003   2.154   1.708  0.00  0.00    +0.231 A 
ATOM     13  C   LIG    1        0.060   0.254  -0.362  0.00  0.00    -0.018 A 
ENDROOT
BRANCH   1  15
ATOM     14  N   LIG    1        1.719  -2.197  -2.293  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        1.594  -1.325  -1.536  0.00  0.00    +0.103 C 
ENDBRANCH   1  15
BRANCH   2  16
ATOM     16  N   LIG    1        3.849  -0.064  -0.035  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        4.410   0.191   0.779  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        4.468  -1.214  -0.692  0.00  0.00    +0.177 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.935  -1.315  -0.429  0.00  0.00    +0.122 A 
ATOM     20  O   LIG    1        6.355  -0.985   0.830  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1        7.703  -1.146   0.851  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        8.157  -1.573  -0.374  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        7.016  -1.684  -1.204  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   2  16
BRANCH   9  24
ATOM     24  C   LIG    1       -3.988   1.383   0.543  0.00  0.00    +0.120 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.127   0.401   0.362  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -5.192  -0.766   1.137  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -6.247  -1.665   0.981  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.252  -1.405   0.051  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.203  -0.247  -0.722  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.147   0.654  -0.567  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 6