REMARK  Name = BDB061990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.892  -0.182  -0.201  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1       -0.974  -0.394  -1.238  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.290  -0.937  -0.965  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.650  -1.269   0.341  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.264  -1.055   1.373  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.527  -0.517   1.110  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.393   1.499   0.609  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -5.167   1.093   0.040  0.00  0.00    +0.105 A 
ATOM      9  C   LIG    1       -4.964   1.228  -1.381  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -3.711   0.765  -1.660  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -3.184   0.366  -0.450  0.00  0.00    -0.239 N 
ATOM     12  C   LIG    1       -5.854   1.731  -2.323  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -7.066   2.129  -1.724  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -4.066   0.536   0.570  0.00  0.00    -0.166 NA
ATOM     15  C   LIG    1       -7.329   2.021  -0.323  0.00  0.00    +0.015 A 
BRANCH   7  19
ATOM     16  N   LIG    1       -7.960   1.089   2.395  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1       -8.107   0.900   3.379  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -8.586   0.644   1.739  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1       -6.674   1.415   2.050  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -5.834   1.626   2.911  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  O   LIG    1        1.844  -1.801   0.737  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.826  -2.030  -0.270  0.00  0.00    +0.229 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.080  -2.610   0.386  0.00  0.00    +0.041 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.693  -1.725   1.479  0.00  0.00    +0.004 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.145  -0.334   1.025  0.00  0.00    +0.009 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.243  -0.371  -0.036  0.00  0.00    +0.098 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.753   1.013  -0.381  0.00  0.00    +0.235 C 
ATOM     28  N   LIG    1        7.827   0.998  -1.244  0.00  0.00    -0.197 N 
ATOM     29  H   LIG    1        7.992   0.224  -1.879  0.00  0.00    +0.182 HD
ATOM     30  O   LIG    1        6.275   2.062   0.042  0.00  0.00    -0.274 OA
BRANCH  28  31
ATOM     31  O   LIG    1        8.238   2.273  -1.703  0.00  0.00    -0.295 OA
ATOM     32  H   LIG    1        7.646   2.878  -1.202  0.00  0.00    +0.241 HD
ENDBRANCH  28  31
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 10