REMARK  Name = BDB028328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.020   1.267  -0.632  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.062   0.819   0.204  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.403   0.906  -0.197  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.710   1.429  -1.448  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.116   1.490  -1.878  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.041   1.002  -0.989  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.017   1.033  -1.269  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.779   0.502   0.249  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.431   1.949  -2.970  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.694   1.882  -2.295  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.540   0.458   0.647  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.361   1.802  -1.886  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        3.270  -0.092   0.686  0.00  0.00    -0.003 A 
ATOM     14  C   LIG    1        1.926  -0.021   0.297  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        1.384   1.170  -0.207  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        2.255   2.258  -0.278  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        3.556   2.237   0.100  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        4.029   1.065   0.576  0.00  0.00    +0.116 A 
BRANCH  13  19
ATOM     19  C   LIG    1        3.866  -1.351   1.253  0.00  0.00    +0.196 C 
BRANCH  19  21
ATOM     20  C   LIG    1        4.130  -2.750  -0.646  0.00  0.00    +0.194 C 
ATOM     21  O   LIG    1        3.416  -2.518   0.562  0.00  0.00    -0.378 OA
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  22
ATOM     22  C   LIG    1       -3.279  -0.091   2.047  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.787  -1.466   1.942  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1       -3.497  -2.022   1.460  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -2.722  -1.865   2.878  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 5