REMARK  Name = BDB014542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.870   0.295  -1.592  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.114   0.195  -0.626  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.162   0.133   0.349  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.661   0.045  -2.775  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.220   0.764  -1.034  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.272   0.829  -1.992  0.00  0.00    -0.482 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -5.271  -0.239  -1.178  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1       -4.077  -0.277  -1.917  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -3.711  -1.413  -2.643  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.510  -2.553  -2.603  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.679  -2.551  -1.846  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.057  -1.405  -1.142  0.00  0.00    +0.007 A 
BRANCH   7  16
ATOM     13  C   LIG    1       -6.861   1.368   3.056  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -6.597   1.667   1.657  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1       -5.517   0.845   1.101  0.00  0.00    +0.092 C 
ATOM     16  C   LIG    1       -5.686   1.005  -0.418  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -7.155   1.429  -0.600  0.00  0.00    +0.025 C 
ATOM     18  C   LIG    1       -7.752   1.394   0.800  0.00  0.00    +0.085 C 
ENDBRANCH   7  16
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        1.409  -0.387  -0.936  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.424  -0.068   0.165  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.915  -0.550   1.423  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        2.713  -0.661   1.981  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.786  -0.736  -0.119  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.723  -0.569   1.018  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        5.887  -1.471   0.879  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        7.091  -0.851   0.212  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        7.463   0.443   0.616  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        8.617   1.037   0.104  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        9.393   0.345  -0.826  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.023  -0.937  -1.236  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.562   1.122   1.612  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        7.877  -1.540  -0.714  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.101   0.855   1.208  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9