REMARK  Name = BDB030887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.013  -1.002   2.076  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.477  -2.208   2.548  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.832  -2.393   2.401  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.660  -1.497   1.830  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -3.115  -0.357   1.393  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.813  -0.085   1.486  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        3.382   0.776  -0.533  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        3.575   0.577   0.852  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.274   0.660   1.710  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.482   0.131   1.622  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.236  -0.164   1.071  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.385  -0.603   2.134  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.119  -0.525   3.300  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        1.069  -0.010  -0.317  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.385  -0.114   2.976  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        3.143   0.034   3.630  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        2.140   0.448  -1.098  0.00  0.00    +0.025 A 
BRANCH   7  20
ATOM     18  O   LIG    1        5.115   3.166  -0.149  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.160   2.426  -1.119  0.00  0.00    +0.220 C 
ATOM     20  N   LIG    1        4.404   1.273  -1.386  0.00  0.00    -0.270 N 
ATOM     21  C   LIG    1        4.501   0.930  -2.782  0.00  0.00    +0.114 C 
ATOM     22  C   LIG    1        5.877   1.433  -3.163  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1        6.015   2.703  -2.337  0.00  0.00    +0.098 C 
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.629  -3.258   3.163  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -0.231  -2.954   4.429  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.501  -3.540   2.461  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -1.278  -4.456   3.277  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -3.895   0.615   0.791  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -3.254   1.196   0.255  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -5.019   0.124  -0.005  0.00  0.00    +0.088 C 
ATOM     31  C   LIG    1       -4.559  -0.492  -1.332  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -4.244   0.680  -2.160  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -4.232   0.433  -3.148  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -5.302   1.653  -1.877  0.00  0.00    +0.083 C 
ATOM     35  C   LIG    1       -5.838   1.324  -0.485  0.00  0.00    +0.038 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 5