REMARK  Name = BDB014610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.949   3.008  -1.083  0.00  0.00    +0.254 C 
ATOM      2  N   LIG    1       -0.143   2.002  -1.548  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.258   2.215  -2.452  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.107   3.994  -1.808  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.373   4.141   0.653  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1       -1.617   2.863   0.298  0.00  0.00    +0.255 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -2.542   1.776   0.205  0.00  0.00    -0.480 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.853   1.039   1.317  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -3.680  -0.086   1.092  0.00  0.00    -0.001 A 
ATOM     10  C   LIG    1       -4.016  -0.905   2.184  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.565  -0.608   3.470  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.768   0.508   3.684  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -2.412   1.329   2.613  0.00  0.00    +0.046 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.155  -0.417  -0.322  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -3.051  -1.167  -1.109  0.00  0.00    +0.089 C 
ATOM     16  N   LIG    1       -3.526  -1.901  -2.295  0.00  0.00    -0.315 NA
ATOM     17  H   LIG    1       -2.780  -1.928  -2.990  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -4.722  -1.294  -2.864  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -5.895  -1.381  -1.884  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -5.475  -1.198  -0.420  0.00  0.00    +0.011 C 
ENDBRANCH   9  14
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  21
ATOM     21  C   LIG    1        0.435   0.898  -0.789  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.802   1.267  -0.184  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1        1.627   2.298   0.801  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        2.516   2.616   1.042  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        2.471   0.047   0.490  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        2.773  -1.065  -0.427  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        3.930  -0.796  -1.304  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        5.280  -0.888  -0.624  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.447  -1.654   0.545  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        6.713  -1.753   1.136  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.811  -1.114   0.560  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.652  -0.368  -0.606  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.258  -2.314   1.198  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        6.394  -0.259  -1.198  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        3.014  -2.328   0.296  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 9