REMARK  Name = BDB026734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.642   0.506  -0.968  0.00  0.00    +0.206 C 
ATOM      2  C   LIG    1        0.787   1.804  -1.047  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1        1.227   2.811  -1.603  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.459   1.773  -0.432  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -1.000   0.534   0.152  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1        0.148  -0.400   0.632  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1        1.037  -0.678  -0.457  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.005  -0.132  -0.787  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -1.710  -0.397  -2.135  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -2.646  -1.024  -2.962  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.886  -1.394  -2.451  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -5.037  -2.168  -3.469  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.200  -1.142  -1.119  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.265  -0.514  -0.292  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -0.332  -1.692   1.268  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -0.433  -2.882   0.528  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -0.907  -4.049   1.128  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -1.032  -5.495   0.205  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -1.284  -4.050   2.469  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.187  -2.877   3.216  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -0.716  -1.705   2.619  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.942   0.817  -0.206  0.00  0.00    +0.056 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.862  -0.387   0.018  0.00  0.00    +0.083 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.279  -2.037  -1.009  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1        4.297  -0.985  -1.245  0.00  0.00    -0.319 NA
ATOM     26  H   LIG    1        3.488  -1.403  -1.707  0.00  0.00    +0.122 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -1.293   2.969  -0.429  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.218   3.645   0.909  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -1.282   5.149   1.004  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        0.005   4.433   1.308  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7