REMARK  Name = BDB046540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.274  -0.374  -0.444  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -2.625  -1.749  -0.325  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -1.612  -2.721  -0.373  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -1.902  -4.074  -0.191  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -3.217  -4.484   0.009  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -4.237  -3.537   0.038  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -0.288  -2.416  -0.539  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.102  -1.203  -1.253  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1       -3.943  -2.179  -0.123  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -0.979  -0.020  -0.815  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1       -0.584   1.145  -0.872  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -3.237   0.692  -0.177  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.973   1.122  -1.449  0.00  0.00    +0.019 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.074   2.155  -1.193  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.586   4.218  -1.411  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.613   3.475  -0.571  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  17
ATOM     17  C   LIG    1        1.388  -0.846  -1.205  0.00  0.00    +0.095 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.912  -0.657   0.219  0.00  0.00    +0.233 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.310  -0.352   0.124  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.947   0.001   1.289  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        5.237   0.543   1.131  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.985   0.878   2.272  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        5.455   0.693   3.547  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.175   0.166   3.696  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        3.424  -0.184   2.571  0.00  0.00    +0.046 A 
BRANCH  21  26
ATOM     26  C   LIG    1        5.840   0.763  -0.238  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.434  -0.482  -0.853  0.00  0.00    +0.309 C 
ATOM     28  O   LIG    1        7.620  -0.603  -1.131  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.532  -1.456  -1.118  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1        4.633  -1.212  -0.806  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 11