REMARK  Name = BDB053762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.430   5.404  -1.841  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1        0.485   3.930  -1.586  0.00  0.00    -0.030 A 
ATOM      3  C   LIG    1       -0.384   3.326  -0.675  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -0.262   1.939  -0.478  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        0.760   1.239  -1.120  0.00  0.00    +0.105 A 
ATOM      6  C   LIG    1        0.734  -0.103  -0.676  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.342  -0.220   0.189  0.00  0.00    +0.221 A 
ATOM      8  N   LIG    1        1.617   1.818  -1.997  0.00  0.00    -0.252 NA
ATOM      9  N   LIG    1       -0.944   1.030   0.331  0.00  0.00    -0.278 N 
ATOM     10  C   LIG    1        1.444   3.137  -2.200  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.588  -1.207  -1.080  0.00  0.00    +0.254 C 
ATOM     12  N   LIG    1        2.963  -1.071  -0.915  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.632   0.019  -0.197  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.902  -0.475   0.521  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        5.897  -1.123  -0.353  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        6.359  -1.863   0.175  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        5.287  -1.689  -1.568  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        3.827  -2.142  -1.408  0.00  0.00    +0.123 C 
ATOM     19  O   LIG    1        1.096  -2.241  -1.531  0.00  0.00    -0.270 OA
ENDBRANCH   6  11
BRANCH   9  20
ATOM     20  C   LIG    1       -2.070   1.327   1.159  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -2.196   0.726   2.419  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -3.300   1.011   3.225  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.285   1.890   2.778  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.169   2.484   1.522  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.066   2.204   0.713  0.00  0.00    +0.026 A 
ENDBRANCH   9  20
BRANCH   7  26
ATOM     26  O   LIG    1       -0.791  -1.311   0.818  0.00  0.00    -0.438 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.844  -2.052   0.315  0.00  0.00    +0.136 A 
ATOM     28  C   LIG    1       -2.352  -3.067   1.149  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -1.761  -3.318   2.509  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -3.439  -3.840   0.710  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1       -3.999  -3.617  -0.547  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -3.473  -2.626  -1.364  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1       -4.012  -2.417  -2.573  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -2.402  -1.843  -0.950  0.00  0.00    +0.085 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 4