REMARK  Name = BDB053746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.840  -0.680   0.808  0.00  0.00    +0.043 A 
ATOM      2  N   LIG    1       -1.107  -1.985   0.400  0.00  0.00    -0.310 N 
ATOM      3  C   LIG    1        0.078  -2.719   0.432  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        1.074  -1.881   0.932  0.00  0.00    +0.101 A 
ATOM      5  N   LIG    1        2.357  -2.282   1.122  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        2.614  -3.569   0.822  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        1.686  -4.479   0.349  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.373  -4.064   0.151  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.498  -0.618   1.192  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.142   0.557   1.759  0.00  0.00    +0.251 C 
ATOM     11  N   LIG    1        2.179   1.141   1.041  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.844   2.316   1.601  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.262   2.494   1.033  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.335   2.587  -0.438  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.200   2.142  -0.743  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.186   1.940  -1.093  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.579   0.758  -0.316  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.734   1.028   2.820  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.373  -2.508   0.015  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.495  -2.280   0.820  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.735  -2.802   0.447  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.855  -3.550  -0.724  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.736  -3.783  -1.523  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.492  -3.267  -1.155  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  C   LIG    1       -1.815   0.470   0.726  0.00  0.00    +0.090 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -1.422   3.430   1.335  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.241   2.863  -0.045  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1       -1.426   1.493  -0.335  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -1.278   1.057  -1.670  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -0.909   1.938  -2.687  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -0.693   3.277  -2.389  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -0.861   3.726  -1.084  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1       -0.657   5.028  -0.832  0.00  0.00    -0.205 F 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4