REMARK  Name = BDB011136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.622  -1.507   1.119  0.00  0.00    +0.221 A 
ATOM      2  C   LIG    1       -1.348  -2.064   1.040  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -1.271  -3.421   0.702  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.438  -4.164   0.482  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -3.675  -3.500   0.603  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -4.835  -4.232   0.385  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -4.797  -5.589   0.053  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.573  -6.239  -0.067  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.393  -5.529   0.146  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.764  -2.197   0.915  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -2.697  -0.160   1.414  0.00  0.00    -0.476 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -4.015   0.394   1.419  0.00  0.00    +0.233 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.464   0.811   0.023  0.00  0.00    +0.069 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.489   1.786  -0.627  0.00  0.00    +0.163 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.159   3.086  -2.563  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1       -4.033   2.198  -1.880  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1       -0.109  -1.226   1.248  0.00  0.00    +0.161 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.917  -2.036   1.843  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        0.572  -2.328   2.704  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        0.394  -0.649  -0.086  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.355   0.452   0.122  0.00  0.00    -0.099 C 
ATOM     22  C   LIG    1        2.140   1.347   0.285  0.00  0.00    -0.102 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.106   2.435   0.486  0.00  0.00    +0.089 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.460   2.091  -0.131  0.00  0.00    +0.024 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.466   3.221   0.077  0.00  0.00    +0.121 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.815   2.895  -0.520  0.00  0.00    +0.307 C 
ATOM     27  O   LIG    1        7.103   1.863  -1.108  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        7.668   3.937  -0.301  0.00  0.00    -0.468 OA
ATOM     29  C   LIG    1        8.981   3.730  -0.824  0.00  0.00    +0.280 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 14