REMARK  Name = BDB015145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.553  -0.567   0.580  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        2.382  -0.832  -0.151  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.116  -0.468   0.325  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.011   0.172   1.558  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.161   0.447   2.301  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.418   0.083   1.816  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        7.188  -0.451  -0.489  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1        5.942  -0.048   0.004  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        4.874  -0.957   0.066  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.135  -2.253  -0.386  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1        6.328  -2.679  -0.869  0.00  0.00    -0.262 NA
ATOM     12  C   LIG    1        7.327  -1.766  -0.910  0.00  0.00    +0.125 A 
BRANCH   7  13
ATOM     13  C   LIG    1        8.360   0.445  -0.589  0.00  0.00    +0.340 C 
ATOM     14  O   LIG    1        9.441   0.093  -1.031  0.00  0.00    -0.245 OA
BRANCH  13  16
ATOM     15  C   LIG    1        9.139   2.610  -0.189  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1        8.055   1.682  -0.123  0.00  0.00    -0.464 OA
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  O   LIG    1        0.087  -0.803  -0.508  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.253  -0.445  -0.143  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.889  -1.514   0.754  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.159  -2.693  -0.018  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -2.473  -3.378   0.598  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.160  -1.038   1.507  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.367  -0.588   0.799  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.321   0.812   0.360  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.586   1.270  -0.337  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.482   0.339  -0.889  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.628   0.788  -1.560  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.870   2.154  -1.703  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.975   3.079  -1.174  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.245  -1.138  -0.701  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.836   2.641  -0.496  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.801  -1.464  -0.291  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 9