REMARK  Name = BDB039393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.115  -0.981  -0.486  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.145   0.274   0.106  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.342   0.473   0.778  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -1.838   1.676   1.506  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.176   1.272   1.915  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.425  -0.059   1.634  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.380  -0.734   1.962  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.275  -0.555   0.870  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -2.064  -1.803   0.323  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.859  -2.008  -0.356  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        3.530  -4.915  -0.652  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1        3.865  -3.790  -1.493  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1        3.103  -2.656  -1.607  0.00  0.00    +0.141 A 
ATOM     14  C   LIG    1        3.746  -1.795  -2.491  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        3.138  -0.552  -2.762  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        1.921  -0.303  -2.094  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        1.375  -1.241  -1.212  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1        4.933  -2.460  -2.913  0.00  0.00    +0.029 A 
ATOM     19  N   LIG    1        1.942  -2.442  -0.960  0.00  0.00    -0.229 NA
ATOM     20  C   LIG    1        4.981  -3.685  -2.282  0.00  0.00    +0.088 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.714   0.468  -3.708  0.00  0.00    +0.158 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.996   1.729  -3.043  0.00  0.00    -0.332 N 
ATOM     23  C   LIG    1        4.938   1.933  -2.074  0.00  0.00    +0.199 A 
ATOM     24  N   LIG    1        4.960   3.189  -1.687  0.00  0.00    -0.244 NA
ATOM     25  C   LIG    1        4.006   3.819  -2.442  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1        3.395   2.932  -3.297  0.00  0.00    +0.107 A 
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH   5  27
ATOM     27  C   LIG    1       -3.989   2.123   2.778  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1       -3.949   1.613   4.218  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1       -2.902   1.557   4.865  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1       -5.128   1.168   4.758  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1       -5.076   0.821   5.705  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1       -6.340   1.004   4.141  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1       -7.298   0.545   4.761  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1       -6.438   1.384   2.686  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1       -5.401   2.413   2.275  0.00  0.00    +0.041 C 
ENDBRANCH   5  27
TORSDOF 4