REMARK  Name = BDB003518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.483  -3.247   1.188  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1       -0.277  -1.904   1.336  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1        0.880  -1.150   1.675  0.00  0.00    +0.283 A 
ATOM      4  N   LIG    1        0.646   0.228   1.696  0.00  0.00    -0.255 N 
ATOM      5  C   LIG    1       -0.597   0.848   1.471  0.00  0.00    +0.334 A 
ATOM      6  N   LIG    1       -1.664   0.030   1.108  0.00  0.00    -0.272 N 
ATOM      7  O   LIG    1       -0.730   2.070   1.591  0.00  0.00    -0.246 OA
ATOM      8  O   LIG    1        1.966  -1.666   1.924  0.00  0.00    -0.265 OA
ATOM      9  C   LIG    1       -1.482  -1.331   1.057  0.00  0.00    +0.168 A 
ATOM     10  N   LIG    1       -2.427  -2.260   0.743  0.00  0.00    -0.218 NA
ATOM     11  C   LIG    1       -1.796  -3.413   0.828  0.00  0.00    +0.202 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        0.644  -4.741   2.793  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        0.485  -4.313   1.345  0.00  0.00    +0.120 C 
ENDBRANCH   1  13
BRANCH   6  14
ATOM     14  C   LIG    1       -2.923   0.639   0.696  0.00  0.00    +0.163 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.915   0.994  -0.776  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.320   0.054  -1.735  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -3.275   0.366  -3.095  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.816   1.614  -3.511  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.402   2.553  -2.569  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.451   2.245  -1.208  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH   6  14
BRANCH   4  21
ATOM     21  C   LIG    1        1.792   1.095   1.924  0.00  0.00    +0.165 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.485   1.444   0.618  0.00  0.00    -0.025 A 
ATOM     23  C   LIG    1        1.993   2.475  -0.200  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        2.606   2.747  -1.431  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1        3.716   2.005  -1.853  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        4.207   0.982  -1.041  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        3.593   0.701   0.182  0.00  0.00    +0.005 A 
BRANCH  24  28
ATOM     28  N   LIG    1        2.075   3.812  -2.291  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        2.646   4.018  -3.372  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        1.090   4.447  -1.888  0.00  0.00    -0.126 OA
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6