REMARK  Name = BDB027587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.704   1.311  -0.829  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        2.470   1.571   0.290  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        3.881   1.920   0.160  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        4.504   1.570   1.522  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        3.328   1.798   2.478  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        2.116   1.330   1.682  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.132   1.385  -1.978  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.384   0.044  -0.317  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1       -1.955   1.311   0.115  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.628   1.735  -0.042  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.303   0.888  -0.635  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -0.099  -0.355  -1.117  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -1.428  -0.769  -0.958  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -4.650   0.287   0.681  0.00  0.00    +0.243 C 
ATOM     15  N   LIG    1       -3.759  -0.384  -0.170  0.00  0.00    -0.271 N 
ATOM     16  C   LIG    1       -4.152  -1.638  -0.818  0.00  0.00    +0.138 C 
ATOM     17  O   LIG    1       -4.334   1.003   1.629  0.00  0.00    -0.270 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -7.026   0.246   1.327  0.00  0.00    -0.007 C 
ATOM     19  C   LIG    1       -6.101   0.115   0.364  0.00  0.00    +0.065 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -8.525   0.156   1.247  0.00  0.00    +0.111 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -8.979  -1.451  -0.554  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -9.207  -0.123  -0.011  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1       -9.121   0.939  -1.001  0.00  0.00    +0.104 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  24
ATOM     24  N   LIG    1        4.920   0.170   1.608  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1        4.225  -0.508   1.308  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        6.064  -0.154   0.891  0.00  0.00    +0.216 A 
ATOM     27  N   LIG    1        6.086  -1.391   0.380  0.00  0.00    -0.215 NA
ATOM     28  C   LIG    1        7.161  -1.761  -0.330  0.00  0.00    +0.076 A 
ATOM     29  C   LIG    1        8.240  -0.903  -0.552  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1        9.360  -1.315  -1.303  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        9.401  -2.599  -1.838  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        8.332  -3.463  -1.624  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        8.111   0.352   0.015  0.00  0.00    +0.124 A 
ATOM     34  C   LIG    1        7.228  -3.038  -0.876  0.00  0.00    +0.028 A 
ATOM     35  N   LIG    1        7.041   0.746   0.730  0.00  0.00    -0.222 NA
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 7