REMARK  Name = BDB047496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.067  -0.567  -1.600  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -2.924  -0.204  -0.684  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.941  -1.198  -0.721  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.765  -1.072   0.001  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.570   0.068   0.786  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.556   1.066   0.824  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.327  -2.311  -1.645  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.737   0.937   0.079  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.843  -2.091  -1.747  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.473  -0.141  -1.136  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.195  -0.135   0.738  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.963  -0.822   0.157  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.436  -0.404  -2.282  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.073  -1.435  -2.437  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.511   0.621  -3.163  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -5.948   1.387  -2.946  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.617   0.087   1.466  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.927   1.262   2.215  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.307   1.105   2.856  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.427   1.167   1.877  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.883   2.225   1.119  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.491   3.634   0.947  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.943   1.786   0.378  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.088   0.470   0.734  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.214   0.062   1.635  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.165  -0.276   0.089  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.355  -1.630   0.406  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.377  -2.370  -0.195  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.222  -1.765  -1.122  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.047  -0.422  -1.449  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.025   0.318  -0.847  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9