REMARK  Name = BDB015076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.322  -2.000  -0.297  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.944  -1.836  -0.052  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.067  -2.922  -0.114  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.567  -4.188  -0.423  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.926  -4.372  -0.668  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.797  -3.285  -0.604  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        7.171   3.528  -0.418  0.00  0.00    +0.173 C 
ATOM      8  N   LIG    1        6.985   2.222   0.168  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1        5.973   1.336  -0.117  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        6.224   0.230   0.688  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.354  -0.875   0.633  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        4.241  -0.852  -0.230  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1        4.026   0.287  -1.026  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        7.396   0.564   1.401  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1        4.880   1.397  -0.988  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1        7.864   1.774   1.086  0.00  0.00    -0.179 NA
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  O   LIG    1       -0.282  -2.881   0.106  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.854  -1.597   0.405  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.363  -1.803   0.591  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.582  -2.718   1.679  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -1.968  -3.462   1.525  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.100  -0.486   0.905  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.945   0.576  -0.108  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.530   1.849   0.362  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.040   1.933   0.277  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.763   1.109  -0.605  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.156   1.234  -0.690  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.826   2.186   0.078  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.112   3.015   0.939  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.052   0.051  -1.410  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.725   2.893   1.036  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.528   0.241  -1.419  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7