REMARK  Name = BDB015239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.930  -1.187  -0.987  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        3.049  -0.699  -0.014  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        1.672  -0.908  -0.138  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.179  -1.607  -1.241  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.057  -2.111  -2.205  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.430  -1.908  -2.076  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        6.128  -1.888  -1.283  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        5.404  -0.986  -0.883  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        5.774   0.242  -0.374  0.00  0.00    -0.265 N 
ATOM     10  H   LIG    1        5.066   0.938  -0.204  0.00  0.00    +0.157 HD
BRANCH   9  11
ATOM     11  C   LIG    1        7.072   0.650  -0.147  0.00  0.00    +0.147 A 
ATOM     12  N   LIG    1        8.164  -0.097  -0.307  0.00  0.00    -0.159 NA
ATOM     13  N   LIG    1        9.181   0.704   0.028  0.00  0.00    -0.283 N 
ATOM     14  H   LIG    1       10.122   0.329  -0.030  0.00  0.00    +0.188 HD
ATOM     15  C   LIG    1        8.786   1.948   0.415  0.00  0.00    +0.107 A 
ATOM     16  C   LIG    1        7.415   1.946   0.314  0.00  0.00    +0.064 A 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  O   LIG    1        0.923  -0.377   0.877  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.479  -0.690   0.879  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.083  -0.067   2.140  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.009   1.365   2.057  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -0.087   1.572   1.815  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.529  -0.520   2.458  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.621  -0.373   1.487  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.741   0.979   0.925  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.913   1.124  -0.027  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.512  -0.004  -0.618  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.572   0.162  -1.519  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.018   1.440  -1.854  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.414   2.560  -1.287  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.059  -1.388  -0.227  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.365   2.404  -0.380  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.674  -1.391   0.440  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8