REMARK  Name = BDB024125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.619  -0.572   0.081  0.00  0.00    +0.171 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.720  -1.932   0.759  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1       -2.382  -2.986   0.107  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.491  -4.240   0.709  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.951  -4.456   1.975  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.310  -3.415   2.644  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.202  -2.159   2.045  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  10
ATOM      8  N   LIG    1        0.779  -0.577  -0.432  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        0.503  -1.433  -0.900  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -0.214   0.072   0.291  0.00  0.00    +0.239 C 
ATOM     11  O   LIG    1       -0.051   1.044   1.029  0.00  0.00    -0.273 OA
BRANCH   8  15
ATOM     12  C   LIG    1        4.917   0.276  -0.756  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        4.349  -0.856  -1.354  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        2.976  -1.110  -1.227  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        2.147  -0.247  -0.504  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        2.712   0.881   0.087  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        4.085   1.142  -0.035  0.00  0.00    +0.028 A 
BRANCH  12  22
ATOM     18  C   LIG    1        9.499   2.295  -0.439  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1        8.327   1.443  -0.733  0.00  0.00    +0.056 A 
ATOM     20  N   LIG    1        8.462   0.307  -1.482  0.00  0.00    -0.241 NA
ATOM     21  C   LIG    1        7.254  -0.206  -1.552  0.00  0.00    +0.204 A 
ATOM     22  N   LIG    1        6.312   0.544  -0.879  0.00  0.00    -0.306 N 
ATOM     23  C   LIG    1        7.013   1.609  -0.351  0.00  0.00    +0.115 A 
ENDBRANCH  12  22
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   1  24
ATOM     24  N   LIG    1       -2.696   0.308   0.579  0.00  0.00    -0.302 NA
ATOM     25  H   LIG    1       -2.400   0.661   1.493  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.942   1.450  -0.311  0.00  0.00    +0.086 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.124   2.304   0.178  0.00  0.00    +0.050 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.475   1.693  -0.120  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -5.985   0.664   0.686  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -7.227   0.091   0.404  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.965   0.544  -0.686  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -9.495  -0.163  -1.036  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -7.473   1.563  -1.497  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -6.229   2.135  -1.216  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8