REMARK  Name = BDB024613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.473  -1.178   0.637  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.291  -1.443  -0.080  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.288  -2.736  -0.791  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.155  -3.906   0.200  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.236  -2.818  -1.894  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.867  -2.509  -1.329  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.892  -1.168  -0.655  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.707  -0.399  -0.594  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.552  -0.711  -1.052  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.318   0.319  -0.755  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -0.579   1.312  -0.146  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.718   0.867  -0.030  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.879   1.442   0.476  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.047   0.664   0.429  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.081  -0.648  -0.076  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.522  -1.794   0.451  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.549  -0.026   2.379  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        5.361  -0.239   1.615  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.067   2.609   0.296  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.947   3.670  -0.807  0.00  0.00    +0.105 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.429   5.000  -0.388  0.00  0.00    -0.307 NA
ATOM     22  C   LIG    1       -1.020   6.011  -1.369  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -2.890   5.029  -0.242  0.00  0.00    +0.104 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  24
ATOM     24  C   LIG    1       -2.777   0.412  -1.069  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.674   0.001   0.115  0.00  0.00    +0.135 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.727  -1.474   0.507  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -4.316  -1.817   1.739  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.432  -3.151   2.134  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.959  -4.165   1.307  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.366  -3.843   0.089  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.252  -2.509  -0.310  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -5.043   0.600  -0.177  0.00  0.00    +0.313 C 
ATOM     33  O   LIG    1       -5.264   1.802  -0.073  0.00  0.00    -0.250 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -5.991  -0.250  -0.627  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -5.720  -1.190  -0.657  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 9