REMARK  Name = BDB003626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.546   1.006  -0.009  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -1.656   0.349  -0.372  0.00  0.00    +0.070 C 
ATOM      3  C   LIG    1       -3.037   0.816  -0.106  0.00  0.00    +0.102 C 
ATOM      4  N   LIG    1       -3.935  -0.074  -0.431  0.00  0.00    -0.171 NA
ATOM      5  N   LIG    1       -3.244  -1.157  -0.964  0.00  0.00    -0.156 N 
ATOM      6  C   LIG    1       -1.848  -0.992  -0.992  0.00  0.00    +0.273 C 
ATOM      7  O   LIG    1       -0.974  -1.733  -1.401  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -3.388   2.122   0.460  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.896   3.307  -0.096  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -3.267   4.535   0.454  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.136   4.578   1.545  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.646   3.396   2.083  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.280   2.166   1.536  0.00  0.00    +0.010 A 
ENDBRANCH   3   8
BRANCH   5  14
ATOM     14  C   LIG    1       -3.997  -2.273  -1.415  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -3.387  -3.414  -1.952  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -4.151  -4.502  -2.389  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.540  -4.467  -2.298  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.165  -3.343  -1.768  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.400  -2.258  -1.330  0.00  0.00    +0.025 A 
ENDBRANCH   5  14
BRANCH   1  22
ATOM     20  C   LIG    1        2.990   0.492   0.254  0.00  0.00    +0.136 A 
ATOM     21  O   LIG    1        1.786   0.980   0.672  0.00  0.00    -0.455 OA
ATOM     22  C   LIG    1        0.800   0.603  -0.216  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        1.429  -0.092  -1.240  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        2.810  -0.175  -0.935  0.00  0.00    +0.050 A 
BRANCH  20  26
ATOM     25  C   LIG    1        5.287   0.009   1.201  0.00  0.00    +0.070 A 
ATOM     26  C   LIG    1        4.133   0.806   1.113  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1        4.106   1.994   1.871  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.185   2.375   2.675  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.321   1.576   2.743  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.373   0.392   2.010  0.00  0.00    +0.016 A 
BRANCH  25  31
ATOM     31  C   LIG    1        5.397  -1.290   0.510  0.00  0.00    +0.340 C 
ATOM     32  O   LIG    1        4.637  -2.228   0.668  0.00  0.00    -0.245 OA
BRANCH  31  34
ATOM     33  C   LIG    1        6.681  -2.447  -1.054  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        6.472  -1.242  -0.316  0.00  0.00    -0.464 OA
ENDBRANCH  31  34
ENDBRANCH  25  31
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 6