REMARK  Name = BDB053747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.617  -0.121   0.620  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        1.542  -0.978   0.042  0.00  0.00    -0.306 N 
ATOM      3  C   LIG    1        1.057  -2.272   0.042  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -0.188  -2.235   0.669  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1       -0.962  -3.337   0.848  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1       -0.438  -4.490   0.392  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        0.788  -4.619  -0.236  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        1.574  -3.487  -0.427  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -0.457  -0.896   1.047  0.00  0.00    +0.124 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -1.609  -0.437   1.799  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1       -2.809  -0.261   1.103  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -3.987   0.108   1.883  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -5.050   0.835   1.042  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -5.403   0.114  -0.196  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1       -5.772  -0.801   0.067  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -4.174  -0.095  -0.983  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -3.077  -0.850  -0.212  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1       -1.508  -0.194   3.001  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1        2.824  -0.537  -0.518  0.00  0.00    +0.091 C 
ATOM     20  C   LIG    1        4.040  -1.143   0.211  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1        5.268  -1.288  -0.690  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1        5.370  -0.142  -1.689  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1        4.160  -0.079  -2.624  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        2.896  -0.714  -2.041  0.00  0.00    +0.025 C 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1        0.895   1.190   0.678  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1        0.450   2.439   3.210  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -0.375   2.739   1.990  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -0.120   2.116   0.757  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -0.827   2.482  -0.403  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -0.506   1.886  -1.743  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -1.858   3.425  -0.293  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.142   4.025   0.933  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -1.395   3.696   2.064  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4