REMARK  Name = BDB034958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.385   1.259   2.150  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.855   0.484   0.977  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.480   0.383   0.765  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.073  -0.353  -0.368  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        0.292  -0.460  -0.594  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        1.236   0.131   0.256  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        0.719   0.833   1.339  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1       -1.924  -0.949  -1.228  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.237  -0.837  -0.990  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.600   0.966   1.609  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -3.743  -0.129   0.085  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.679   0.018   0.014  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        3.574  -0.338   1.025  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.916  -0.453   0.869  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        5.405  -0.205  -0.363  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        4.616   0.151  -1.442  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.240   0.263  -1.247  0.00  0.00    +0.011 A 
ENDBRANCH   6  12
BRANCH   9  18
ATOM     18  N   LIG    1       -4.091  -1.439  -1.908  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -3.511  -1.934  -2.581  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -4.756  -2.057  -1.457  0.00  0.00    +0.144 HD
ENDBRANCH   9  18
TORSDOF 2