REMARK  Name = BDB052202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.150  -0.809  -0.157  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.460  -0.567   0.253  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -1.962  -0.755   1.524  0.00  0.00    -0.458 OA
ATOM      4  C   LIG    1       -3.266  -0.276   1.531  0.00  0.00    +0.127 C 
ATOM      5  C   LIG    1       -3.743   0.065   0.131  0.00  0.00    +0.117 C 
ATOM      6  C   LIG    1       -4.775  -0.944  -0.382  0.00  0.00    +0.033 C 
ATOM      7  C   LIG    1       -4.344   1.470   0.203  0.00  0.00    +0.169 C 
ATOM      8  O   LIG    1       -4.226   2.294  -0.707  0.00  0.00    -0.295 OA
ATOM      9  C   LIG    1       -5.162   1.822   1.435  0.00  0.00    +0.192 C 
ATOM     10  C   LIG    1       -5.176   0.746   2.499  0.00  0.00    +0.177 C 
ATOM     11  O   LIG    1       -6.118   0.543   3.257  0.00  0.00    -0.291 OA
ATOM     12  C   LIG    1       -3.936  -0.039   2.661  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1       -2.444  -0.071  -0.611  0.00  0.00    +0.058 A 
ATOM     14  C   LIG    1       -2.139   0.154  -1.934  0.00  0.00    +0.128 A 
ATOM     15  C   LIG    1       -0.838  -0.066  -2.387  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        0.164  -0.542  -1.511  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  19
ATOM     17  N   LIG    1        2.163  -1.134   0.583  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        2.425  -0.808  -0.341  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        0.828  -1.333   0.848  0.00  0.00    +0.251 C 
ATOM     20  O   LIG    1        0.449  -1.909   1.862  0.00  0.00    -0.270 OA
BRANCH  17  21
ATOM     21  C   LIG    1        3.188  -1.687   1.432  0.00  0.00    +0.140 C 
BRANCH  21  24
ATOM     22  C   LIG    1        6.334   0.359   0.749  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        5.077  -0.028   1.222  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        4.555  -1.300   0.938  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        5.307  -2.178   0.150  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        6.562  -1.797  -0.325  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.076  -0.532  -0.025  0.00  0.00    +0.045 A 
BRANCH  22  29
ATOM     28  C   LIG    1        8.007   2.047   0.696  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.713   1.624   1.107  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  17  21
ENDBRANCH   1  19
BRANCH   9  30
ATOM     30  C   LIG    1       -6.542   2.326   1.089  0.00  0.00    +0.148 C 
ATOM     31  O   LIG    1       -6.908   3.457   1.417  0.00  0.00    -0.296 OA
ATOM     32  C   LIG    1       -7.469   1.409   0.332  0.00  0.00    +0.087 C 
ENDBRANCH   9  30
BRANCH  14  33
ATOM     33  O   LIG    1       -3.124   0.552  -2.782  0.00  0.00    -0.506 OA
ATOM     34  H   LIG    1       -2.729   0.965  -3.568  0.00  0.00    +0.292 HD
ENDBRANCH  14  33
BRANCH  16  35
ATOM     35  O   LIG    1        1.454  -0.789  -1.917  0.00  0.00    -0.494 OA
ATOM     36  C   LIG    1        1.804  -0.518  -3.270  0.00  0.00    +0.277 C 
ENDBRANCH  16  35
TORSDOF 7