REMARK  Name = BDB014615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.948  -3.005  -1.283  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        0.435  -2.220  -0.167  0.00  0.00    -0.302 N 
ATOM      3  C   LIG    1        1.063  -1.065   0.296  0.00  0.00    +0.216 C 
ATOM      4  O   LIG    1        0.502  -0.276   1.058  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.485  -0.825  -0.177  0.00  0.00    +0.103 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.049   0.470   0.401  0.00  0.00    +0.083 C 
BRANCH   6   7
ATOM      7  C   LIG    1        4.460   0.702  -0.024  0.00  0.00    +0.109 A 
ATOM      8  N   LIG    1        5.314   1.499   0.700  0.00  0.00    -0.342 N 
ATOM      9  H   LIG    1        5.085   1.982   1.556  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        6.527   1.524   0.062  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        6.341   0.719  -1.055  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        7.407   0.526  -1.945  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        8.630   1.154  -1.675  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        8.787   1.958  -0.543  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        7.733   2.163   0.356  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1        5.061   0.222  -1.094  0.00  0.00    -0.232 NA
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -0.983  -2.410   0.179  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.934  -1.570  -0.695  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.907  -2.077  -2.044  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -2.380  -1.429  -2.595  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -3.396  -1.629  -0.188  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.619  -1.223   1.208  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.280   0.188   1.476  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -4.285   1.188   0.944  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.627   0.819   0.735  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -6.548   1.773   0.282  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.145   3.089   0.057  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.821   3.461   0.279  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.062  -0.613   0.932  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -3.896   2.517   0.724  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -5.004  -1.471   1.645  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 8