REMARK  Name = BDB017037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.488   0.138   0.832  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1        0.745   0.301   0.253  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.518  -0.739   0.734  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.770  -1.518   1.592  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.424  -0.974   1.622  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.921  -0.993   0.412  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.617  -1.738   1.308  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.914  -2.000   1.049  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.573  -1.547  -0.075  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.849  -0.782  -0.988  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.503  -0.498  -0.747  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.547  -0.296  -2.198  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.710  -0.512  -2.483  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        4.757   0.443  -2.996  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.342   0.687  -3.744  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.640   1.030   0.663  0.00  0.00    +0.118 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.747   0.313  -0.097  0.00  0.00    -0.025 A 
ATOM     18  C   LIG    1       -2.760   0.367  -1.503  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.750  -0.288  -2.237  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.740  -1.013  -1.581  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.737  -1.088  -0.191  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.748  -0.433   0.547  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
BRANCH  16  24
ATOM     23  C   LIG    1       -3.051   2.811   1.833  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -2.041   1.684   2.003  0.00  0.00    +0.026 C 
ENDBRANCH  16  24
ENDBRANCH   1  16
TORSDOF 6