REMARK  Name = BDB027532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.188  -1.911  -2.473  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.950  -1.950  -1.863  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.479  -1.126  -0.756  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.058  -1.137  -0.876  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.306  -2.513  -1.503  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.158  -2.646  -2.490  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.415  -2.434  -3.561  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.417   0.205  -0.600  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        4.688  -0.741   0.124  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.633  -1.440  -0.475  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.289  -1.180  -1.803  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        4.028  -0.257  -2.545  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.082   0.436  -1.943  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.975   0.915   1.223  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        6.493   0.949  -0.070  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        6.948   1.577  -0.718  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.548   0.249   2.156  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.734   1.952   2.597  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.139   1.831   1.403  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -1.694  -1.001   0.425  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.230  -0.384   1.085  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.009  -0.557   0.400  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -3.362   0.225   1.428  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -4.623   0.680   1.470  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1       -5.560   0.375   0.483  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -6.881   0.866   0.548  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.281   1.668   1.620  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1       -6.342   1.987   2.602  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -8.673   2.222   1.684  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -5.086  -0.429  -0.538  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.035   1.490   2.520  0.00  0.00    +0.029 A 
ATOM     32  N   LIG    1       -3.826  -0.897  -0.602  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5