REMARK  Name = BDB014460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.793   0.672  -3.498  0.00  0.00    +0.217 C 
ATOM      2  N   LIG    1        0.644  -0.082  -3.529  0.00  0.00    -0.313 N 
ATOM      3  H   LIG    1        0.743  -1.078  -3.367  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.774   1.893  -3.372  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        3.082  -0.120  -3.620  0.00  0.00    +0.130 C 
BRANCH   5   8
ATOM      6  C   LIG    1        3.525  -1.476  -0.075  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        3.341  -0.599  -1.152  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        3.291  -1.078  -2.470  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1        3.439  -2.451  -2.700  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        3.616  -3.331  -1.631  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.656  -2.847  -0.325  0.00  0.00    +0.010 A 
BRANCH   6  14
ATOM     12  C   LIG    1        5.967  -1.533   1.836  0.00  0.00    +0.173 C 
ATOM     13  N   LIG    1        4.652  -1.012   2.129  0.00  0.00    -0.267 N 
ATOM     14  C   LIG    1        3.562  -0.959   1.289  0.00  0.00    +0.069 A 
ATOM     15  C   LIG    1        2.587  -0.301   2.013  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        3.164  -0.045   3.268  0.00  0.00    +0.135 A 
ATOM     17  N   LIG    1        4.420  -0.484   3.348  0.00  0.00    -0.179 NA
ENDBRANCH   6  14
ENDBRANCH   5   8
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.672   0.506  -3.305  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.908   0.871  -1.821  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.247   2.107  -1.505  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.555   2.177  -2.065  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.423   1.031  -1.533  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.821   0.772  -0.129  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.293   0.859  -0.016  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.810   0.734   1.401  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -3.976   1.005   2.498  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -4.486   0.922   3.801  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.824   0.593   4.013  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.661   0.342   2.927  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.520   1.323   2.271  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.159   0.416   1.627  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -2.207   1.720   0.818  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8