REMARK  Name = BDB056832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.635   2.161   1.179  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -0.009   1.871   2.404  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        0.559   2.933   3.129  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.516   4.241   2.641  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -0.114   4.512   1.430  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.698   3.475   0.704  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.228   1.123   0.506  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.897   1.083  -0.888  0.00  0.00    +0.229 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.103  -0.345  -1.395  0.00  0.00    +0.041 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.588  -0.727  -1.443  0.00  0.00    +0.007 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -2.233  -2.628  -3.106  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -2.835  -2.218  -1.758  0.00  0.00    -0.003 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.340  -2.535  -1.761  0.00  0.00    +0.123 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.969  -2.391  -0.403  0.00  0.00    +0.305 C 
ATOM     15  O   LIG    1       -5.776  -1.539  -0.070  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.561  -3.332   0.469  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1       -5.047  -3.117   1.292  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -0.005   0.455   2.941  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.168   0.117   3.756  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1        2.390  -0.298   3.228  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1        3.334  -0.699   3.904  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        0.964   0.010   5.190  0.00  0.00    +0.132 C 
BRANCH  20  23
ATOM     23  C   LIG    1        2.568  -0.272   1.765  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        2.985   0.900   1.133  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.131   0.919  -0.257  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        2.879  -0.231  -1.025  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        2.493  -1.408  -0.361  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        2.342  -1.435   1.028  0.00  0.00    +0.014 A 
BRANCH  26  29
ATOM     29  C   LIG    1        3.005  -0.192  -2.481  0.00  0.00    +0.135 A 
ATOM     30  O   LIG    1        2.852  -1.384  -3.137  0.00  0.00    -0.463 OA
ATOM     31  C   LIG    1        3.011  -1.143  -4.463  0.00  0.00    +0.196 A 
ATOM     32  C   LIG    1        3.253   0.191  -4.683  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        3.246   0.807  -3.407  0.00  0.00    +0.050 A 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 12