REMARK  Name = BDB014481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.152   1.315   1.276  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.310   1.118   0.075  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.438   0.228  -0.663  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -0.020  -0.094  -1.533  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.349  -0.703  -0.019  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.245  -1.431  -1.032  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.407  -2.004  -2.053  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.976  -2.548  -2.625  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -3.297  -0.508  -1.690  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -4.287   0.075  -0.768  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -5.198  -0.948  -0.217  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -6.361  -0.384   0.572  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -6.750   0.959   0.431  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -7.846   1.448   1.154  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -8.570   0.603   1.993  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.200  -0.734   2.122  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.946   1.883  -0.446  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -7.103  -1.226   1.414  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -5.069   1.121  -1.447  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.351   1.884  -0.744  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.910   1.147  -1.825  0.00  0.00    -0.483 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.915   0.262  -1.542  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        3.305  -0.163  -0.270  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        4.353  -1.088  -0.110  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.989  -1.594  -1.253  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.597  -1.179  -2.524  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.562  -0.256  -2.665  0.00  0.00    +0.045 A 
BRANCH  24  28
ATOM     28  C   LIG    1        4.778  -1.551   1.270  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.768  -0.728   1.968  0.00  0.00    -0.294 NA
ATOM     30  C   LIG    1        7.082  -0.653   1.314  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1        7.956   0.431   1.965  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        7.408   1.751   1.828  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        5.980   1.757   1.688  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1        5.298   0.590   2.419  0.00  0.00    +0.113 C 
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10