REMARK  Name = BDB014593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.030   0.401   0.975  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.541  -0.875   1.143  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.152  -1.616   0.807  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.514   1.386   1.498  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.234   0.506   0.037  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -2.851  -0.772  -0.117  0.00  0.00    -0.483 OA
BRANCH   6   9
ATOM      7  C   LIG    1       -5.618   0.043  -2.474  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -4.499   0.235  -1.646  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -3.933  -0.836  -0.951  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -4.489  -2.110  -1.091  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.586  -2.318  -1.927  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -6.144  -1.246  -2.621  0.00  0.00    +0.012 A 
BRANCH   7  15
ATOM     13  C   LIG    1       -8.610   0.915  -2.573  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -7.506   1.548  -3.252  0.00  0.00    -0.334 N 
ATOM     15  C   LIG    1       -6.173   1.194  -3.192  0.00  0.00    +0.141 A 
ATOM     16  N   LIG    1       -5.445   2.086  -3.844  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1       -6.324   2.991  -4.374  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1       -7.612   2.676  -4.022  0.00  0.00    +0.107 A 
ENDBRANCH   7  15
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        0.498  -1.221   2.105  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.873  -0.587   1.791  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.920   0.740   2.330  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.101   1.197   2.035  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.003  -1.435   2.431  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.401  -1.175   2.039  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.861   0.172   2.414  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.312   0.416   2.040  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.926  -0.330   1.017  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        8.254  -0.061   0.660  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.961   0.959   1.296  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.349   1.714   2.295  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.175  -1.459   0.355  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        7.030   1.447   2.664  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.661  -1.405   0.614  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9