REMARK  Name = BDB015134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.222  -0.104  -1.432  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        2.045  -0.054  -0.661  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.882  -0.706  -1.080  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        0.893  -1.416  -2.282  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.047  -1.477  -3.059  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.204  -0.824  -2.636  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        6.802   0.500  -0.316  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        5.629  -0.137  -0.748  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        4.443   0.582  -0.983  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        4.456   1.968  -0.775  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        5.617   2.612  -0.348  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        6.785   1.881  -0.120  0.00  0.00    +0.023 A 
BRANCH   7  15
ATOM     13  C   LIG    1       10.139  -1.080   0.442  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        9.190   0.086   0.323  0.00  0.00    +0.214 C 
ATOM     15  N   LIG    1        7.935  -0.312  -0.102  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        7.809  -1.301  -0.277  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        9.552   1.223   0.600  0.00  0.00    -0.276 OA
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  O   LIG    1       -0.313  -0.729  -0.417  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -0.397  -0.001   0.806  0.00  0.00    +0.261 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.813  -0.123   1.396  0.00  0.00    +0.166 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.811   0.539   2.671  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1       -1.856   1.497   2.512  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.880   0.483   0.444  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.278   0.068   0.700  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.150   0.617  -0.361  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.628   0.381  -0.142  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -7.129   0.077   1.134  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.507  -0.103   1.319  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -9.386   0.043   0.246  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.896   0.363  -1.017  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.177  -0.124   2.282  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.525   0.534  -1.210  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.784   0.470   2.019  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8