REMARK  Name = BDB052485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.939   0.807   1.254  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        1.584   0.931   1.047  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1        1.027   0.353   0.439  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.106   1.977   1.792  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1        2.240   2.468   2.422  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        2.233   3.537   3.247  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        1.016   4.102   3.402  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -0.165   3.671   2.800  0.00  0.00    +0.059 A 
ATOM      9 BR   LIG    1       -1.763   4.632   3.170  0.00  0.00    -0.047 Br
ATOM     10  C   LIG    1       -0.165   2.544   1.954  0.00  0.00    +0.073 A 
ATOM     11  N   LIG    1        3.349   1.745   2.091  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        5.512  -2.127  -0.544  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        6.027  -1.136   0.287  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        5.171  -0.189   0.865  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        3.789  -0.211   0.624  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        3.282  -1.213  -0.212  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        4.138  -2.159  -0.788  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        7.632  -3.121  -0.942  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        6.228  -3.108  -1.170  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH  10  20
ATOM     20  N   LIG    1       -1.318   2.090   1.319  0.00  0.00    -0.325 N 
ATOM     21  C   LIG    1       -1.737   0.701   1.565  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -2.886   0.312   0.611  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1       -2.494   0.363  -0.820  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -1.576   1.494  -1.092  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -1.554   2.621  -0.035  0.00  0.00    +0.120 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.678   0.416  -1.694  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.535  -0.832  -1.615  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1       -4.013  -2.076  -2.003  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -4.799  -3.228  -1.934  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -6.111  -3.143  -1.477  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -7.081  -4.562  -1.390  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -6.645  -1.915  -1.089  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -5.859  -0.762  -1.158  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  10  20
TORSDOF 5