REMARK  Name = BDB036410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.379   0.487   0.460  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.541   0.908   1.768  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.324   1.727   2.209  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.581   0.152   2.579  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.926  -0.760   1.751  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.025  -1.630   2.274  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.307  -1.525   3.650  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.363  -0.596   4.470  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.327   0.256   3.933  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.440  -0.622   0.353  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.769   2.103  -2.447  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.743   1.765  -1.863  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.696   0.606  -1.131  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.556   0.079  -1.075  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.604   0.037  -0.513  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.697  -1.074   0.007  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.284   0.814  -0.635  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.555   2.311  -0.781  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.455   2.545  -1.983  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.752  -2.627   1.414  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.914  -2.022   0.801  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.603  -1.623   1.422  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        1.965  -1.742  -0.546  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        1.052  -1.996  -1.324  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.192  -1.051  -1.035  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.430  -1.185  -0.396  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.553  -0.517  -0.895  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        5.458   0.281  -2.045  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        4.217   0.404  -2.685  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        3.094  -0.263  -2.188  0.00  0.00    +0.013 A 
BRANCH  28  31
ATOM     31  C   LIG    1        6.664   1.022  -2.567  0.00  0.00    +0.372 C 
ATOM     32  F   LIG    1        7.841   0.414  -2.251  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1        6.664   1.149  -3.923  0.00  0.00    -0.204 F 
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5