REMARK  Name = BDB014598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.197  -0.785   1.230  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.336  -0.953   2.091  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.013  -0.891   1.830  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1       -0.656  -1.284   2.507  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.523  -0.750   0.472  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.507  -2.091  -0.278  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.378  -3.022   0.386  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.330  -3.859  -0.107  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -0.866  -1.938  -1.777  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.041  -1.103  -2.096  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -2.087  -0.851  -3.553  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -3.328  -0.120  -4.016  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -4.492  -0.104  -3.231  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -5.639   0.552  -3.696  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -5.640   1.168  -4.947  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.494   1.138  -5.738  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.480  -0.734  -1.863  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -3.345   0.495  -5.277  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.311  -1.710  -1.666  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.648  -1.245   3.546  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.146  -1.284   3.831  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.759   0.076   3.847  0.00  0.00    +0.109 A 
ATOM     23  N   LIG    1        4.017   0.776   2.692  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        3.781   0.458   1.758  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        4.573   1.980   3.033  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.632   1.946   4.422  0.00  0.00    +0.089 A 
ATOM     27  C   LIG    1        5.161   3.047   5.111  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        5.613   4.149   4.373  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.538   4.154   2.978  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.013   3.065   2.272  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1        4.123   0.765   4.908  0.00  0.00    -0.232 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8