REMARK  Name = BDB031600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.650   1.577  -0.655  0.00  0.00    +0.221 C 
ATOM      2  N   LIG    1        0.927   0.345  -0.108  0.00  0.00    -0.303 N 
ATOM      3  H   LIG    1        0.273  -0.413  -0.307  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.510   2.453  -0.752  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -3.552  -0.987   0.777  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -2.820   0.064   0.074  0.00  0.00    -0.333 N 
ATOM      7  C   LIG    1       -2.371  -0.166  -1.229  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -1.416   0.681  -1.832  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -0.980   0.457  -3.154  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.489  -0.599  -3.899  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -2.439  -1.434  -3.332  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -0.802   1.835  -1.064  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1       -1.646   2.223   0.145  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.874  -1.214  -2.020  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -2.078   0.995   0.923  0.00  0.00    +0.106 C 
ENDBRANCH   1  12
BRANCH   2  16
ATOM     16  C   LIG    1        2.290  -0.051   0.214  0.00  0.00    +0.160 C 
ATOM     17  C   LIG    1        2.341  -1.573   0.384  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1        1.461  -2.325  -0.030  0.00  0.00    -0.273 OA
ATOM     19  N   LIG    1        3.452  -2.070   1.022  0.00  0.00    -0.255 N 
ATOM     20  H   LIG    1        3.467  -3.074   1.143  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1        4.272  -1.373   1.872  0.00  0.00    +0.219 C 
ATOM     22  O   LIG    1        5.034  -1.960   2.635  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        4.205   0.133   1.792  0.00  0.00    +0.098 C 
ATOM     24  C   LIG    1        2.790   0.607   1.497  0.00  0.00    +0.041 C 
ENDBRANCH   2  16
TORSDOF 2