REMARK  Name = BDB012759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.754  -1.541   0.156  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.055  -0.706   1.148  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -1.397  -0.665   0.580  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.394   0.054   1.222  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -2.149   0.687   2.248  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.390  -1.120  -0.806  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.086  -1.202  -1.181  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        4.333  -2.247   0.528  0.00  0.00    +0.215 A 
ATOM      9  N   LIG    1        2.993  -2.405   0.478  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        2.241  -1.315   0.200  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        2.812  -0.065  -0.035  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        4.202   0.080   0.022  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        4.975  -1.043   0.310  0.00  0.00    +0.075 A 
BRANCH  12  14
ATOM     14  C   LIG    1        4.813   1.375  -0.223  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        6.012   1.804   0.308  0.00  0.00    +0.116 A 
ATOM     16  N   LIG    1        6.209   3.072  -0.158  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1        7.325   3.941   0.127  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        5.221   3.507  -0.960  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        4.373   2.476  -0.997  0.00  0.00    +0.142 A 
ENDBRANCH  12  14
BRANCH   8  21
ATOM     20  C   LIG    1        4.416  -4.532   1.029  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1        5.145  -3.329   0.806  0.00  0.00    -0.480 OA
ENDBRANCH   8  21
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1       -3.713   0.041   0.643  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1       -4.332  -1.036   0.075  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1       -3.974  -1.980  -0.011  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1       -5.559  -0.780  -0.402  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1       -5.783   0.493  -0.049  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -4.665   1.042   0.621  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -7.085   1.173  -0.362  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1       -7.330   1.266  -1.870  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1       -8.265   0.489   0.334  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 5