REMARK  Name = BDB018353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.446   5.584   0.362  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.868   4.200   0.212  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -2.204   3.873   0.404  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -3.092   4.666   0.700  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -2.546   2.440   0.232  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -1.615   1.532  -0.114  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -0.221   1.954  -0.326  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.079   3.256  -0.145  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.085   0.133  -0.206  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -2.866  -0.287  -1.293  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.299  -1.613  -1.382  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.960  -2.524  -0.373  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1       -2.165  -2.117   0.702  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.735  -0.791   0.788  0.00  0.00    +0.009 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -3.398  -3.938  -0.429  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1       -2.689  -4.870  -0.096  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -4.676  -4.078  -0.840  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -5.178  -3.244  -0.901  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1        0.795   1.022  -0.716  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        1.987   0.795  -0.066  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        2.621  -0.188  -0.777  0.00  0.00    -0.271 N 
ATOM     22  N   LIG    1        1.939  -0.577  -1.873  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1        0.819   0.149  -1.823  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.908  -0.796  -0.462  0.00  0.00    +0.147 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.772  -1.889   0.558  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1        3.392  -3.287   0.140  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        4.789  -3.002   0.617  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 6