REMARK  Name = BDB064415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.317   0.372  -0.273  0.00  0.00    -0.026 C 
ATOM      2  C   LIG    1        2.512  -0.056  -0.710  0.00  0.00    +0.005 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        3.663  -0.284   0.180  0.00  0.00    -0.003 A 
ATOM      4  C   LIG    1        4.922   0.301  -0.086  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1        5.127   1.088  -1.243  0.00  0.00    -0.331 N 
ATOM      6  H   LIG    1        4.274   1.566  -1.524  0.00  0.00    +0.147 HD
ATOM      7  C   LIG    1        6.306   1.974  -1.224  0.00  0.00    +0.154 C 
ATOM      8  C   LIG    1        7.530   1.367  -0.525  0.00  0.00    +0.237 C 
ATOM      9  N   LIG    1        7.287   0.461   0.474  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1        8.091   0.131   0.988  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        8.681   1.734  -0.764  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1        5.949   3.303  -0.561  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        6.009  -0.044   0.744  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1        5.849  -0.902   1.834  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        4.597  -1.443   2.109  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.513  -1.142   1.284  0.00  0.00    +0.010 A 
ENDBRANCH   2   3
BRANCH   1  17
ATOM     17  C   LIG    1        0.138   0.611  -1.174  0.00  0.00    +0.029 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.027  -0.312  -0.816  0.00  0.00    +0.023 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.223  -0.064  -1.740  0.00  0.00    +0.105 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -4.962   0.825   1.513  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1       -4.137   0.556   0.411  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.184  -0.658  -0.297  0.00  0.00    +0.036 A 
ATOM     23  N   LIG    1       -3.366  -0.921  -1.400  0.00  0.00    -0.330 N 
ATOM     24  C   LIG    1       -3.304  -2.303  -1.885  0.00  0.00    +0.105 C 
ATOM     25  C   LIG    1       -4.696  -2.904  -1.958  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -5.293  -2.933  -0.562  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1       -5.145  -1.601   0.131  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1       -5.966  -1.341   1.242  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1       -5.876  -0.134   1.931  0.00  0.00    +0.046 A 
BRANCH  20  31
ATOM     30  C   LIG    1       -5.604   2.388   3.186  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -4.768   2.054   2.085  0.00  0.00    -0.495 OA
ENDBRANCH  20  31
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6