REMARK  Name = BDB002500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.935   0.249  -0.629  0.00  0.00    -0.274 N 
ATOM      2  C   LIG    1        0.703   0.815  -0.311  0.00  0.00    +0.266 A 
ATOM      3  O   LIG    1        0.452   1.979  -0.054  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -0.213  -0.286  -0.335  0.00  0.00    +0.104 A 
ATOM      5  C   LIG    1        0.496  -1.408  -0.632  0.00  0.00    +0.136 A 
ATOM      6  N   LIG    1       -0.356  -2.443  -0.647  0.00  0.00    -0.271 N 
ATOM      7  H   LIG    1       -0.177  -3.428  -0.828  0.00  0.00    +0.189 HD
ATOM      8  N   LIG    1       -1.623  -2.041  -0.371  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1       -1.541  -0.694  -0.174  0.00  0.00    +0.182 A 
ATOM     10  C   LIG    1        1.870  -1.123  -0.814  0.00  0.00    +0.280 A 
ATOM     11  O   LIG    1        2.765  -1.910  -1.062  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        3.834   1.057   0.697  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        3.168   1.004  -0.669  0.00  0.00    +0.125 C 
ENDBRANCH   1  13
BRANCH   9  14
ATOM     14  C   LIG    1       -2.698   0.149   0.154  0.00  0.00    +0.360 C 
ATOM     15  O   LIG    1       -2.621   1.361   0.321  0.00  0.00    -0.243 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -3.864  -0.559   0.253  0.00  0.00    -0.463 OA
ATOM     17  C   LIG    1       -5.005   0.236   0.571  0.00  0.00    +0.280 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
TORSDOF 3