REMARK  Name = BDB047828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.279  -1.458  -0.112  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -0.407  -0.231   0.041  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -1.808  -0.218  -0.042  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -2.540  -1.396  -0.273  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -1.830  -2.597  -0.423  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.433  -2.631  -0.344  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.354   0.946   0.261  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        0.357   1.833  -0.927  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        1.000   3.193  -0.577  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        0.327   3.934   0.515  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -0.435   5.073   0.012  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -0.533   3.047   1.329  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        0.059   1.636   1.542  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   4  14
ATOM     14  C   LIG    1       -4.009  -1.370  -0.357  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -4.666  -0.510  -1.256  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -6.062  -0.480  -1.340  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1       -6.820  -1.318  -0.514  0.00  0.00    +0.126 A 
ATOM     18  C   LIG    1       -6.191  -2.182   0.388  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -4.794  -2.203   0.460  0.00  0.00    +0.011 A 
BRANCH  17  20
ATOM     20  N   LIG    1       -8.286  -1.288  -0.595  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1       -8.919  -2.060   0.139  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1       -8.803  -0.492  -1.391  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH   4  14
BRANCH   1  24
ATOM     23  C   LIG    1        2.600  -2.408  -0.101  0.00  0.00    +0.250 C 
ATOM     24  N   LIG    1        1.683  -1.391   0.002  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1        2.002  -0.440   0.180  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        2.366  -3.593  -0.310  0.00  0.00    -0.270 OA
BRANCH  23  31
ATOM     27  C   LIG    1        6.713   0.573  -0.704  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        5.988  -0.604  -0.111  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.647  -0.902  -0.431  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1        3.823   0.096  -1.588  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        4.013  -2.016   0.152  0.00  0.00    +0.056 A 
ATOM     32  C   LIG    1        4.731  -2.849   1.026  0.00  0.00    +0.017 A 
ATOM     33  C   LIG    1        6.057  -2.562   1.339  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        6.668  -1.448   0.775  0.00  0.00    +0.128 A 
ATOM     35  F   LIG    1        7.945  -1.196   1.096  0.00  0.00    -0.205 F 
ENDBRANCH  23  31
ENDBRANCH   1  24
TORSDOF 5