REMARK  Name = BDB004660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.670   0.632  -0.025  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -2.815   1.319  -0.482  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -3.804   0.545  -1.120  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -4.949   1.217  -1.600  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -5.106   2.607  -1.437  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.137   3.356  -0.791  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -3.645  -0.791  -1.252  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -2.534  -1.343  -0.750  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -3.001   2.716  -0.315  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -1.542  -0.697  -0.144  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -6.072   0.522  -2.307  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -7.055   1.137  -2.709  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -5.986  -0.824  -2.501  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -5.189  -1.350  -2.155  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -6.747  -1.303  -2.960  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.635   1.351   0.607  0.00  0.00    -0.328 N 
ATOM     17  H   LIG    1       -0.353   2.131   0.020  0.00  0.00    +0.147 HD
BRANCH  16  18
ATOM     18  C   LIG    1        0.518   0.579   1.083  0.00  0.00    +0.107 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.491   0.233  -0.051  0.00  0.00    +0.054 C 
BRANCH  19  23
ATOM     20  C   LIG    1        4.959  -1.876   1.442  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        3.776  -2.562   1.160  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        2.656  -1.883   0.673  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        2.707  -0.502   0.457  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        3.892   0.185   0.745  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        5.012  -0.498   1.233  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.204  -2.008   2.211  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.976  -2.659   1.913  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6