REMARK  Name = BDB029557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.191  -0.659   0.182  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        3.950  -0.021   0.059  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        2.937  -0.574  -0.737  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.621   0.125  -0.830  0.00  0.00    +0.247 C 
ATOM      5  N   LIG    1        0.687  -0.374  -1.745  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        1.147  -1.282  -2.791  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        2.050  -2.379  -2.239  0.00  0.00    +0.055 C 
ATOM      8  O   LIG    1        1.398   1.092  -0.108  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        3.156  -1.776  -1.423  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1        4.386  -2.426  -1.290  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        5.395  -1.868  -0.498  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        9.624   0.611   2.032  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        8.205   0.474   1.813  0.00  0.00    -0.274 N 
ATOM     14  N   LIG    1        7.347   1.111   2.626  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        6.149   0.780   2.136  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1        6.232  -0.077   1.013  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.590  -0.250   0.832  0.00  0.00    +0.116 A 
ENDBRANCH   1  16
BRANCH   5  18
ATOM     18  C   LIG    1       -0.528   0.414  -2.018  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.478   0.540  -0.800  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.140   1.706  -0.040  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.181   1.635   0.163  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.947   0.666  -1.284  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.969   0.727  -0.216  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -5.269   1.129  -0.787  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.425   1.067   0.189  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.336   0.307   1.367  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.430   0.244   2.241  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.617   0.908   1.933  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.716   1.645   0.755  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.042  -0.378   1.719  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.628   1.723  -0.114  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.112  -0.542   0.508  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 6