REMARK  Name = BDB036958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.141  -0.330  -0.061  0.00  0.00    -0.287 N 
ATOM      2  C   LIG    1       -0.550   0.094  -1.250  0.00  0.00    +0.234 C 
ATOM      3  O   LIG    1       -1.223   0.292  -2.267  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1        0.987   0.236  -1.303  0.00  0.00    +0.201 C 
ATOM      5  N   LIG    1        1.659   0.328   0.020  0.00  0.00    -0.320 N 
ATOM      6  C   LIG    1        1.080  -0.561   1.032  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1       -0.397  -0.199   1.193  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1       -6.357  -0.549   1.723  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -5.259  -0.516   1.176  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1       -4.411  -1.593   1.231  0.00  0.00    -0.255 N 
ATOM     11  H   LIG    1       -4.734  -2.376   1.784  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1       -3.096  -1.649   0.827  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -2.404  -2.625   1.111  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -2.606  -0.461  -0.018  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -3.277   0.829   0.456  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1       -4.788   0.677   0.380  0.00  0.00    +0.098 C 
ENDBRANCH   1  14
BRANCH   5  17
ATOM     17  C   LIG    1        3.061   0.390  -0.081  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        3.922  -0.549   0.508  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        5.313  -0.445   0.385  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.876   0.610  -0.325  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.048   1.562  -0.907  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.659   1.452  -0.782  0.00  0.00    +0.023 A 
ENDBRANCH   5  17
TORSDOF 2