REMARK  Name = BDB011141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.603  -1.381  -0.416  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -1.840  -0.788  -0.653  0.00  0.00    +0.221 A 
ATOM      3  N   LIG    1       -2.994  -1.469  -0.831  0.00  0.00    -0.213 NA
ATOM      4  C   LIG    1       -2.950  -2.810  -0.772  0.00  0.00    +0.075 A 
ATOM      5  C   LIG    1       -1.755  -3.518  -0.533  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.761  -4.923  -0.480  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.947  -5.630  -0.664  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.129  -4.937  -0.900  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.118  -3.540  -0.952  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -0.579  -2.778  -0.352  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        0.634  -0.540  -0.196  0.00  0.00    +0.161 C 
BRANCH  11  12
ATOM     12  O   LIG    1        1.804  -1.329  -0.459  0.00  0.00    -0.386 OA
ATOM     13  H   LIG    1        2.514  -0.699  -0.713  0.00  0.00    +0.210 HD
ENDBRANCH  11  12
BRANCH  11  14
ATOM     14  C   LIG    1        0.681  -0.003   1.248  0.00  0.00    +0.125 C 
BRANCH  14  16
ATOM     15  C   LIG    1        2.618   1.827   1.438  0.00  0.00    -0.102 C 
ATOM     16  C   LIG    1        1.723   1.028   1.397  0.00  0.00    -0.099 C 
BRANCH  15  17
ATOM     17  C   LIG    1        3.771   2.727   1.349  0.00  0.00    +0.089 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.098   2.003   1.607  0.00  0.00    +0.024 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.298   0.690   0.847  0.00  0.00    +0.121 C 
BRANCH  19  21
ATOM     20  O   LIG    1        3.974   0.306  -1.134  0.00  0.00    -0.251 OA
ATOM     21  C   LIG    1        4.975   0.789  -0.622  0.00  0.00    +0.305 C 
BRANCH  21  22
ATOM     22  O   LIG    1        5.895   1.479  -1.328  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1        6.657   1.782  -0.799  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   2  24
ATOM     24  O   LIG    1       -1.869   0.594  -0.713  0.00  0.00    -0.476 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.186   1.137  -0.775  0.00  0.00    +0.231 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.076   2.662  -0.810  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.218   3.275   0.302  0.00  0.00    +0.116 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.717   2.983   1.700  0.00  0.00    +0.390 C 
ATOM     29  F   LIG    1       -4.009   3.353   1.843  0.00  0.00    -0.171 F 
ATOM     30  F   LIG    1       -2.619   1.677   2.015  0.00  0.00    -0.171 F 
ATOM     31  F   LIG    1       -1.994   3.674   2.610  0.00  0.00    -0.171 F 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 14