REMARK  Name = BDB045566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.215   0.702  -0.141  0.00  0.00    +0.151 A 
ATOM      2  N   LIG    1       -0.075   0.963   0.330  0.00  0.00    -0.228 N 
ATOM      3  C   LIG    1       -0.827   0.119   1.171  0.00  0.00    +0.422 C 
ATOM      4  O   LIG    1       -0.349  -0.877   1.690  0.00  0.00    -0.223 OA
ATOM      5  C   LIG    1       -0.421   2.229  -0.167  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.718   2.684  -0.834  0.00  0.00    +0.102 A 
ATOM      7  C   LIG    1        0.707   3.961  -1.430  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -0.447   4.756  -1.346  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -1.573   4.288  -0.678  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.581   3.025  -0.077  0.00  0.00    +0.028 A 
ATOM     11  N   LIG    1        1.716   1.756  -0.756  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        3.477  -2.919   0.220  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        4.001  -1.706   0.667  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.249  -0.531   0.550  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        1.962  -0.552   0.000  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        1.452  -1.768  -0.470  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        2.203  -2.941  -0.351  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.414  -4.158   0.820  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.101  -4.135   0.274  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   7  20
ATOM     20  C   LIG    1        1.889   4.457  -2.162  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        2.499   3.783  -2.978  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1        2.265   5.746  -1.887  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        3.151   6.032  -2.283  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        1.949   6.218  -1.052  0.00  0.00    +0.145 HD
ENDBRANCH   7  20
BRANCH   3  25
ATOM     25  O   LIG    1       -2.098   0.570   1.308  0.00  0.00    -0.443 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.968  -0.284   2.060  0.00  0.00    +0.269 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.663  -1.234   1.121  0.00  0.00    -0.010 A 
ATOM     28  C   LIG    1       -4.747  -0.801   0.344  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -5.371  -1.675  -0.547  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.915  -2.985  -0.675  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.831  -3.423   0.084  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.205  -2.551   0.976  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 6