REMARK  Name = BDB012184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.867   0.744  -0.101  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1       -2.615   0.005  -1.424  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -1.309  -0.776  -1.376  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1       -0.166   0.044  -0.981  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        1.151  -0.396  -1.025  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        2.101   0.316  -0.694  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.448   1.415  -0.552  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1       -1.605   1.444   0.439  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1  18
ATOM      9  C   LIG    1       -7.120   0.618   1.543  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -5.781   0.498   1.148  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1       -5.269   1.489   0.333  0.00  0.00    +0.073 A 
ATOM     12  C   LIG    1       -6.055   2.565  -0.084  0.00  0.00    +0.067 A 
ATOM     13  N   LIG    1       -5.283   3.386  -0.894  0.00  0.00    -0.306 N 
ATOM     14  H   LIG    1       -5.570   4.234  -1.354  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1       -3.999   2.839  -1.009  0.00  0.00    +0.328 A 
ATOM     16  O   LIG    1       -3.084   3.305  -1.666  0.00  0.00    -0.247 OA
ATOM     17  C   LIG    1       -7.370   2.710   0.285  0.00  0.00    +0.031 A 
ATOM     18  N   LIG    1       -3.989   1.660  -0.227  0.00  0.00    -0.289 N 
ATOM     19  C   LIG    1       -7.900   1.716   1.111  0.00  0.00    +0.048 A 
BRANCH   9  21
ATOM     20  C   LIG    1       -7.064  -1.374   2.848  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -7.795  -0.262   2.347  0.00  0.00    -0.495 OA
ENDBRANCH   9  21
ENDBRANCH   1  18
BRANCH   5  22
ATOM     22  C   LIG    1        1.376  -1.834  -1.483  0.00  0.00    +0.096 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.855  -2.234  -1.477  0.00  0.00    +0.017 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.439  -2.338  -0.064  0.00  0.00    +0.075 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.756  -1.605   0.051  0.00  0.00    +0.110 A 
ATOM     26  N   LIG    1        4.694  -0.239  -0.018  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1        3.800   0.226  -0.180  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1        5.798   0.570   0.058  0.00  0.00    +0.259 A 
ATOM     29  O   LIG    1        5.738   1.791  -0.024  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1        7.081  -0.131   0.245  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1        7.051  -1.526   0.309  0.00  0.00    +0.078 A 
ATOM     32  C   LIG    1        8.255  -2.212   0.483  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1        9.463  -1.515   0.590  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        9.476  -0.121   0.524  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        8.283   0.578   0.350  0.00  0.00    +0.015 A 
ATOM     36  N   LIG    1        5.859  -2.264   0.205  0.00  0.00    -0.234 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6