REMARK  Name = BDB027566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.262   0.963   0.603  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.922   0.127  -0.276  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        3.376   0.065  -0.287  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.717  -0.997  -1.343  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        2.544  -0.861  -2.320  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.359  -0.604  -1.401  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.842   1.703   1.392  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.022   1.066   0.569  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -2.276   2.232   0.375  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.877   2.192   0.390  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -0.217   0.977   0.580  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -0.949  -0.192   0.795  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -2.347  -0.145   0.783  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.301   2.077   0.404  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1       -4.431   1.023   0.566  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -4.845   0.117   0.744  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -5.028   3.264   0.282  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -7.231   0.546  -0.055  0.00  0.00    -0.007 C 
ATOM     19  C   LIG    1       -6.737   1.687   0.453  0.00  0.00    +0.064 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -8.686   0.181  -0.024  0.00  0.00    +0.111 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -8.714  -1.031   2.078  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -8.885  -1.122   0.625  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1      -10.227  -1.631   0.323  0.00  0.00    +0.104 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  24
ATOM     24  N   LIG    1        4.974  -0.770  -2.037  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1        5.064   0.119  -2.518  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        6.110  -0.886  -1.249  0.00  0.00    +0.216 A 
ATOM     27  N   LIG    1        7.117  -0.065  -1.574  0.00  0.00    -0.215 NA
ATOM     28  C   LIG    1        8.239  -0.124  -0.843  0.00  0.00    +0.076 A 
ATOM     29  C   LIG    1        8.382  -0.998   0.236  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1        9.570  -1.041   0.992  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       10.629  -0.199   0.664  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       10.500   0.677  -0.408  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        7.279  -1.795   0.489  0.00  0.00    +0.124 A 
ATOM     34  C   LIG    1        9.312   0.706  -1.148  0.00  0.00    +0.028 A 
ATOM     35  N   LIG    1        6.142  -1.754  -0.231  0.00  0.00    -0.222 NA
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 7