REMARK  Name = BDB043096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.823  -0.818   2.654  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.571  -1.186   1.828  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.536  -0.804   2.227  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.694  -1.760   0.578  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.864  -2.420  -0.004  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -1.431  -2.711  -1.444  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        0.061  -3.012  -1.304  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        0.821  -2.884  -2.625  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        2.238  -2.365  -2.409  0.00  0.00    +0.111 C 
ATOM     10  N   LIG    1        2.229  -1.059  -1.753  0.00  0.00    -0.265 N 
ATOM     11  C   LIG    1        1.139  -0.756  -0.825  0.00  0.00    +0.133 C 
ATOM     12  C   LIG    1        3.203  -0.093  -1.976  0.00  0.00    +0.408 C 
ATOM     13  O   LIG    1        3.156   1.031  -1.487  0.00  0.00    -0.226 OA
ATOM     14  C   LIG    1       -3.137  -1.585   0.034  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1       -3.875  -1.700   1.363  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        0.513  -2.023  -0.215  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -2.979  -1.814   2.593  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -3.036   1.289   3.142  0.00  0.00    +0.230 C 
ATOM     19  N   LIG    1       -2.181   0.563   2.340  0.00  0.00    -0.303 N 
ATOM     20  H   LIG    1       -1.512   1.087   1.787  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -3.644   0.802   4.093  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -3.145   2.785   2.762  0.00  0.00    +0.137 C 
ATOM     23  C   LIG    1       -2.233   3.571   3.702  0.00  0.00    +0.034 C 
BRANCH  22  25
ATOM     24  C   LIG    1       -4.809   4.576   2.563  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1       -4.567   3.168   2.819  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1       -4.935   2.904   3.737  0.00  0.00    +0.122 HD
ENDBRANCH  22  25
ENDBRANCH  18  22
ENDBRANCH   1  19
BRANCH  12  27
ATOM     27  O   LIG    1        4.220  -0.555  -2.807  0.00  0.00    -0.411 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.231   0.366  -3.111  0.00  0.00    +0.133 A 
ATOM     29  C   LIG    1        4.965   1.489  -3.893  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        6.009   2.352  -4.222  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.307   2.078  -3.784  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.565   0.938  -3.018  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        6.525   0.072  -2.684  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  12  27
TORSDOF 5