REMARK  Name = BDB021492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.535  -0.869  -0.529  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        3.107  -0.702   0.784  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.152   0.279   1.136  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        1.919   0.248   2.481  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        1.259   1.355   3.068  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.173   1.424   2.582  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.272   2.278   1.410  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.530   2.152   0.280  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.356   2.910  -0.678  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.587   1.092   0.145  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        2.039   0.902  -1.183  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.996  -0.060  -1.516  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        4.457  -1.788  -0.959  0.00  0.00    -0.486 OA
BRANCH  13  18
ATOM     14  C   LIG    1        9.169  -4.186  -0.038  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        8.483  -3.085   0.727  0.00  0.00    +0.213 C 
ATOM     16  N   LIG    1        7.130  -2.999   0.539  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1        6.287  -1.849   0.826  0.00  0.00    +0.154 C 
ATOM     18  C   LIG    1        5.183  -2.566   0.019  0.00  0.00    +0.208 C 
ATOM     19  C   LIG    1        6.303  -3.457  -0.563  0.00  0.00    +0.154 C 
ATOM     20  O   LIG    1        9.105  -2.318   1.456  0.00  0.00    -0.276 OA
ENDBRANCH  13  18
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1       -1.360   3.267   1.377  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.546   2.899   0.467  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.591   3.865   0.666  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -4.401   3.426   0.332  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.122   1.498   0.767  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.398   1.253   0.049  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.167   1.096  -1.406  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -5.388   0.634  -2.175  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.460   0.002  -1.522  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.564  -0.443  -2.262  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -7.594  -0.282  -3.647  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.525   0.326  -4.301  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.446  -0.139  -0.023  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -5.426   0.779  -3.570  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.041   0.032   0.568  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7