REMARK  Name = BDB024662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.997  -0.633  -0.643  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.690  -1.153  -0.692  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.624  -2.622  -0.804  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.026  -3.292   0.521  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.273  -3.131  -1.298  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.165  -2.606  -0.411  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.232  -1.107  -0.357  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.046  -0.366  -0.142  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.226  -0.827   0.074  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.997   0.235   0.191  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -0.248   1.394   0.087  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        1.063   1.019  -0.151  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        2.236   1.733  -0.391  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.413   0.992  -0.584  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.459  -0.411  -0.524  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.990  -1.281  -0.970  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -0.696   2.772   0.172  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -1.536   3.147   1.408  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -2.799   3.810   0.865  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -2.393   4.342  -0.500  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -1.487   3.252  -1.052  0.00  0.00    +0.025 C 
ENDBRANCH  11  17
BRANCH   1  23
ATOM     22  C   LIG    1        7.440   1.114  -0.021  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.103   0.624  -0.129  0.00  0.00    -0.453 OA
ENDBRANCH   1  23
BRANCH  10  24
ATOM     24  C   LIG    1       -2.479   0.167   0.407  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.086  -1.171  -0.060  0.00  0.00    +0.135 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.550  -1.278   0.352  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -5.521  -0.401  -0.157  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.855  -0.510   0.242  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.234  -1.495   1.151  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.281  -2.373   1.662  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.947  -2.266   1.265  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -2.914  -1.414  -1.550  0.00  0.00    +0.313 C 
ATOM     33  O   LIG    1       -2.858  -2.506  -2.099  0.00  0.00    -0.250 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -2.913  -0.296  -2.308  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -2.797  -0.654  -3.214  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 7