REMARK  Name = BDB024709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.419  -1.849   0.759  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.774  -1.420  -0.414  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.567  -1.132  -1.635  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.139  -2.424  -2.247  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.803  -0.401  -2.750  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.878   0.644  -2.170  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.907  -0.066  -1.275  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.539   0.278  -1.243  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.863   1.216  -1.983  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.399   1.150  -1.602  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.552   0.215  -0.598  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.674  -0.377  -0.377  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.102  -1.391   0.479  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.463  -1.723   0.446  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.374  -1.079  -0.405  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.888  -2.080   1.840  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        7.484  -2.355   1.770  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.774  -1.950   0.598  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.779  -0.128   0.107  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.807   0.444   1.535  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.989   0.219   2.384  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1       -3.450  -1.175   2.444  0.00  0.00    +0.119 C 
ATOM     23  C   LIG    1       -4.632  -1.290   1.479  0.00  0.00    +0.085 C 
ATOM     24  O   LIG    1       -4.285  -2.061   0.289  0.00  0.00    -0.372 OA
ATOM     25  C   LIG    1       -5.447  -2.903   0.463  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1       -5.743  -2.297   1.829  0.00  0.00    +0.064 C 
ATOM     27  C   LIG    1       -5.024   0.130   1.091  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -4.167   1.004   1.999  0.00  0.00    +0.087 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  29
ATOM     29  C   LIG    1       -1.509   1.960  -2.203  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.078   3.033  -1.300  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -1.242   3.876  -0.552  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.782   4.881   0.251  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.162   5.070   0.301  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.003   4.258  -0.457  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -3.465   3.247  -1.255  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6