REMARK  Name = BDB018094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.102   0.892   0.997  0.00  0.00    +0.042 C 
ATOM      2  C   LIG    1       -0.939   1.039   2.522  0.00  0.00    +0.020 C 
ATOM      3  C   LIG    1       -0.668   2.171   0.261  0.00  0.00    +0.020 C 
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1        3.923  -0.662  -0.090  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        3.317   0.634   0.449  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1        1.979   0.377   1.137  0.00  0.00    +0.108 C 
ATOM      7  N   LIG    1        1.041  -0.360   0.292  0.00  0.00    -0.301 N 
ATOM      8  C   LIG    1       -0.343  -0.373   0.499  0.00  0.00    +0.221 C 
ATOM      9  O   LIG    1       -0.981  -1.409   0.279  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        1.591  -1.584  -0.301  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        2.913  -1.342  -1.018  0.00  0.00    +0.030 C 
BRANCH   4  12
ATOM     12  C   LIG    1        5.230  -0.360  -0.822  0.00  0.00    +0.169 C 
ATOM     13  O   LIG    1        5.248  -0.189  -2.040  0.00  0.00    -0.292 OA
BRANCH  12  18
ATOM     14  C   LIG    1        9.987   0.287   0.488  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1        8.566   0.039   0.516  0.00  0.00    -0.274 N 
ATOM     16  N   LIG    1        7.959  -0.219   1.688  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        6.681  -0.400   1.347  0.00  0.00    +0.145 A 
ATOM     18  C   LIG    1        6.456  -0.253  -0.040  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        7.712   0.032  -0.544  0.00  0.00    +0.119 A 
ENDBRANCH  12  18
ENDBRANCH   4  12
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -2.640   0.685   0.749  0.00  0.00    +0.023 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.074   0.646  -0.724  0.00  0.00    +0.075 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.562   0.403  -0.833  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1       -5.365   1.466  -0.515  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.970   2.354  -0.242  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -6.735   1.413  -0.553  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -7.431   2.381  -0.268  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -7.310   0.120  -0.958  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -6.417  -0.911  -1.263  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -6.935  -2.149  -1.649  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -8.317  -2.348  -1.729  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -9.196  -1.308  -1.423  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -8.694  -0.066  -1.035  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -5.023  -0.750  -1.194  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6