REMARK  Name = BDB017423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.822   0.102   0.534  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1       -1.655  -1.170   0.301  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1       -1.522  -1.983  -0.601  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -2.636  -1.201   1.293  0.00  0.00    -0.294 N 
ATOM      5  C   LIG    1       -2.634   0.003   2.087  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -1.206   0.499   1.966  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.508   0.014   0.986  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1        2.469  -0.761   1.815  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1        1.261  -1.184   0.975  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        0.615  -0.069   0.274  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1        1.352   1.189   0.300  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        2.829   0.958  -0.019  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1        4.472  -0.942   0.273  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1        4.313  -2.162   0.284  0.00  0.00    -0.292 OA
BRANCH  13  18
ATOM     15  C   LIG    1        7.899   0.547  -1.878  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        7.389  -0.729  -2.121  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        6.278  -1.199  -1.415  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        5.657  -0.391  -0.456  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        6.174   0.885  -0.205  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        7.289   1.352  -0.915  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1        9.546   2.172  -2.428  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        8.986   0.882  -2.636  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1       -3.761  -2.110   1.252  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.908  -1.447   0.571  0.00  0.00    +0.035 A 
ATOM     25  N   LIG    1       -6.019  -1.012   1.258  0.00  0.00    -0.354 N 
ATOM     26  H   LIG    1       -6.181  -1.088   2.255  0.00  0.00    +0.166 HD
ATOM     27  C   LIG    1       -6.897  -0.435   0.382  0.00  0.00    +0.094 A 
ATOM     28  C   LIG    1       -6.366  -0.510  -0.872  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.985  -0.005  -2.187  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1       -8.179   0.573  -2.370  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -9.164   0.896  -1.521  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -9.262   0.755  -0.195  0.00  0.00    +0.053 A 
ATOM     33  C   LIG    1       -8.226   0.175   0.753  0.00  0.00    +0.203 A 
ATOM     34  O   LIG    1       -8.494   0.209   1.941  0.00  0.00    -0.286 OA
ATOM     35  C   LIG    1       -5.111  -1.150  -0.767  0.00  0.00    +0.032 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6