REMARK  Name = BDB053265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.464  -0.513  -0.277  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.274   0.072  -0.524  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1        0.306  -0.606  -1.186  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1        0.512  -1.921  -1.625  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1        1.757  -2.530  -1.396  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1        2.061  -3.924  -1.872  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        2.740  -1.800  -0.717  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        3.383   0.283   0.411  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        3.007   1.227   0.471  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1        7.536   0.193   3.146  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        6.282  -0.128   2.423  0.00  0.00    +0.062 A 
ATOM     12  N   LIG    1        5.784  -1.370   2.456  0.00  0.00    -0.178 NA
ATOM     13  N   LIG    1        4.660  -1.283   1.726  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1        4.064  -2.099   1.671  0.00  0.00    +0.190 HD
ATOM     15  C   LIG    1        4.447  -0.047   1.176  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        5.471   0.738   1.653  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1       -0.942   0.017  -1.374  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1       -1.241  -0.068  -2.344  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.038   1.394  -0.895  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.456   1.928  -1.117  0.00  0.00    +0.019 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.497   1.214  -0.249  0.00  0.00    +0.002 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.891   1.809  -0.452  0.00  0.00    +0.002 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.931   1.096   0.410  0.00  0.00    +0.028 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -7.321   1.691   0.220  0.00  0.00    +0.156 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -8.261   0.990   1.023  0.00  0.00    -0.395 OA
ATOM     26  H   LIG    1       -7.968   1.058   1.947  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
BRANCH   4  27
ATOM     27  C   LIG    1       -0.530  -2.628  -2.311  0.00  0.00    +0.103 C 
ATOM     28  N   LIG    1       -1.351  -3.207  -2.894  0.00  0.00    -0.191 NA
ENDBRANCH   4  27
TORSDOF 11