REMARK  Name = BDB056149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.472  -1.240   1.762  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.631  -1.970   0.913  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -0.751  -2.918   1.442  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -0.723  -3.180   2.808  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.560  -2.461   3.656  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.429  -1.495   3.135  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.176   0.601   1.789  0.00  0.00    +0.266 C 
ATOM      8  N   LIG    1       -3.332  -0.298   1.160  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -3.250  -0.201   0.156  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -4.247   0.786   2.997  0.00  0.00    -0.268 OA
BRANCH   7  16
ATOM     11  C   LIG    1       -6.469   4.293  -0.795  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.979   2.990  -0.288  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -6.305   1.854  -0.914  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -5.743   0.890  -0.162  0.00  0.00    -0.262 N 
ATOM     15  C   LIG    1       -6.044  -0.490  -0.467  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -4.962   1.374   0.857  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -5.159   2.742   0.833  0.00  0.00    +0.057 A 
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  O   LIG    1        0.055  -3.659   0.615  0.00  0.00    -0.454 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.147  -3.047   0.030  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1        1.700  -1.863   0.361  0.00  0.00    +0.161 A 
ATOM     21  N   LIG    1        2.818  -1.408  -0.334  0.00  0.00    -0.215 N 
ATOM     22  C   LIG    1        3.411  -2.134  -1.368  0.00  0.00    +0.158 A 
ATOM     23  N   LIG    1        4.440  -1.472  -1.847  0.00  0.00    -0.194 NA
ATOM     24  C   LIG    1        4.458  -0.336  -1.086  0.00  0.00    +0.242 A 
ATOM     25  C   LIG    1        2.841  -3.390  -1.708  0.00  0.00    +0.052 A 
ATOM     26  N   LIG    1        3.500  -0.257  -0.166  0.00  0.00    -0.129 NA
ATOM     27  C   LIG    1        1.759  -3.829  -1.038  0.00  0.00    +0.051 A 
BRANCH  24  28
ATOM     28  N   LIG    1        5.441   0.571  -1.355  0.00  0.00    -0.253 N 
ATOM     29  H   LIG    1        6.056   0.287  -2.098  0.00  0.00    +0.158 HD
ATOM     30  C   LIG    1        5.621   1.766  -0.710  0.00  0.00    +0.222 C 
ATOM     31  O   LIG    1        4.946   2.227   0.199  0.00  0.00    -0.275 OA
BRANCH  30  32
ATOM     32  C   LIG    1        6.782   2.583  -1.191  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1        8.084   1.966  -1.645  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        7.191   2.644  -2.644  0.00  0.00    +0.013 C 
ENDBRANCH  30  32
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6