REMARK  Name = BDB027511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.158   2.050  -0.158  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.998   1.478   0.360  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.214   2.302   0.381  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.499   1.464   0.524  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -1.448   0.604   1.802  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -0.025   0.267   2.254  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.956   0.209   1.090  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        2.239   3.227  -0.497  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        5.674  -0.352  -0.650  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        4.461  -0.747  -1.233  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        3.307   0.027  -1.076  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        3.360   1.201  -0.321  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.566   1.617   0.243  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.717   0.836   0.087  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        8.075  -1.001  -0.405  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        6.787  -1.194  -0.852  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        6.626  -2.007  -1.430  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        8.517  -0.041   0.213  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        8.712  -3.386  -0.882  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        9.021  -2.085  -0.792  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -2.663   2.343   0.531  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -2.733   2.998   1.302  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.905   1.751   0.392  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -4.046   0.623  -0.319  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1       -5.273   0.095  -0.429  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -6.389   0.671   0.178  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -7.668   0.095   0.054  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -7.833  -1.072  -0.689  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.732  -1.658  -1.317  0.00  0.00    -0.048 A 
ATOM     30  C   LIG    1       -6.886  -2.931  -2.096  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -6.130   1.826   0.896  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -5.466  -1.069  -1.165  0.00  0.00    +0.031 A 
ATOM     33  N   LIG    1       -4.907   2.375   1.018  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5