REMARK  Name = BDB055574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.205   1.614  -1.010  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -1.243   1.774  -0.132  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.353   2.701   0.666  0.00  0.00    -0.272 OA
ATOM      4  C   LIG    1       -2.230   0.576  -0.287  0.00  0.00    +0.164 C 
ATOM      5  N   LIG    1       -1.551  -0.115  -1.367  0.00  0.00    -0.278 N 
ATOM      6  H   LIG    1       -1.780  -1.043  -1.691  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1       -0.364   0.470  -1.722  0.00  0.00    +0.310 C 
ATOM      8  O   LIG    1        0.399  -0.011  -2.542  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.616   1.096  -0.698  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -4.138   0.919  -1.993  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -5.405   1.406  -2.331  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -6.166   2.080  -1.381  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -7.878   2.736  -1.841  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -5.672   2.276  -0.096  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -4.407   1.789   0.242  0.00  0.00    +0.007 A 
ENDBRANCH   4   9
BRANCH   4  16
ATOM     16  C   LIG    1       -2.277  -0.373   0.923  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1       -1.506  -0.172   2.081  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.566  -1.071   3.152  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -2.396  -2.185   3.079  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -2.475  -3.395   4.528  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -3.169  -2.411   1.945  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -3.108  -1.514   0.876  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   1  23
ATOM     23  C   LIG    1        0.941   2.497  -1.103  0.00  0.00    +0.118 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.919   2.333   0.066  0.00  0.00    +0.019 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.556   0.945   0.196  0.00  0.00    +0.002 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.517   0.610  -0.948  0.00  0.00    +0.000 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.081  -0.813  -0.865  0.00  0.00    -0.000 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.968  -1.045   0.361  0.00  0.00    -0.000 C 
BRANCH  28  30
ATOM     29  C   LIG    1        4.767  -3.589   0.396  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        5.700  -2.390   0.328  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9