REMARK  Name = BDB065229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.666  -0.223   0.033  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -4.750  -0.340   1.089  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.383  -0.315   0.806  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.916  -0.172  -0.525  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -3.833  -0.035  -1.568  0.00  0.00    +0.082 A 
ATOM      6  N   LIG    1       -3.460   0.125  -2.840  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1       -2.154   0.179  -3.092  0.00  0.00    +0.215 A 
ATOM      8  N   LIG    1       -1.191   0.031  -2.185  0.00  0.00    -0.199 NA
ATOM      9  C   LIG    1       -1.563  -0.145  -0.907  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1       -5.191  -0.069  -1.275  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -1.768   0.342  -4.406  0.00  0.00    -0.327 N 
ATOM     12  H   LIG    1       -2.505   0.027  -5.021  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -0.846  -0.045  -4.544  0.00  0.00    +0.145 HD
ENDBRANCH   7  11
BRANCH   1  15
ATOM     14  C   LIG    1       -7.952  -0.110  -0.661  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -6.994  -0.266   0.377  0.00  0.00    -0.491 OA
ENDBRANCH   1  15
BRANCH   2  16
ATOM     16  O   LIG    1       -5.282  -0.480   2.345  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -4.390  -0.424   3.449  0.00  0.00    +0.277 C 
ENDBRANCH   2  16
BRANCH   9  18
ATOM     18  N   LIG    1       -0.567  -0.320   0.085  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -0.739  -1.226   0.515  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.835  -0.180  -0.352  0.00  0.00    +0.074 C 
ATOM     21  C   LIG    1        1.762  -0.797   0.713  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        2.268   0.252   1.701  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1        2.999   1.341   1.058  0.00  0.00    -0.298 NA
ATOM     24  C   LIG    1        2.651   1.578  -0.341  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        1.172   1.302  -0.599  0.00  0.00    +0.037 C 
BRANCH  23  26
ATOM     26  C   LIG    1        4.433   1.409   1.353  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.296   0.306   0.775  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        5.901   0.459  -0.482  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        6.696  -0.555  -1.020  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.902  -1.732  -0.305  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.316  -1.895   0.949  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.521  -0.881   1.486  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 7