REMARK  Name = BDB015028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.241  -2.140   0.172  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.872  -1.881   0.377  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.960  -2.924   0.565  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.417  -4.242   0.551  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.768  -4.521   0.352  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.672  -3.476   0.165  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.272   3.079  -1.183  0.00  0.00    +0.150 C 
ATOM      8  N   LIG    1        7.053   1.927  -0.347  0.00  0.00    -0.333 N 
ATOM      9  C   LIG    1        5.995   1.056  -0.428  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1        6.243   0.131   0.581  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1        5.341  -0.925   0.786  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.198  -1.037  -0.029  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1        3.988  -0.078  -1.037  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1        7.407   0.429   1.248  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        4.875   0.985  -1.260  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        7.869   1.512   0.667  0.00  0.00    +0.200 A 
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  O   LIG    1       -0.385  -2.789   0.773  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.913  -1.454   0.777  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.426  -1.563   1.007  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.663  -2.201   2.275  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -2.071  -2.977   2.294  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.119  -0.186   1.017  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.941   0.614  -0.210  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.484   1.978  -0.039  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.991   2.088  -0.139  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.746   1.109  -0.811  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.135   1.255  -0.920  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.770   2.376  -0.386  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.024   3.356   0.263  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.073  -0.126  -1.356  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.641   3.216   0.383  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.544   0.010  -1.411  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7