REMARK  Name = BDB028531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.028  -0.133  -0.360  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1       -2.533   0.005   0.057  0.00  0.00    +0.128 C 
ATOM      3  N   LIG    1       -1.696  -1.156  -0.248  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -0.372  -1.094   0.147  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        0.388  -2.183  -0.191  0.00  0.00    -0.297 N 
ATOM      6  H   LIG    1        0.183  -2.548  -1.110  0.00  0.00    +0.150 HD
ATOM      7  O   LIG    1        0.097  -0.136   0.759  0.00  0.00    -0.253 OA
ATOM      8  C   LIG    1       -2.394  -2.357  -0.685  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1       -3.255  -2.052  -1.903  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -4.066  -0.755  -1.776  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -7.590   2.229   2.034  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -6.822   0.989   1.921  0.00  0.00    -0.303 NA
ATOM     13  C   LIG    1       -5.383   1.226   2.158  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1       -4.630   1.879   0.973  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1       -4.773   1.158  -0.316  0.00  0.00    -0.295 NA
ATOM     16  C   LIG    1       -6.228   1.006  -0.562  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -7.018   0.355   0.602  0.00  0.00    +0.099 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        1.812  -2.193   0.111  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.607  -1.355  -0.900  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.488  -1.965  -2.199  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        3.260  -1.623  -2.696  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        4.099  -1.287  -0.514  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.920  -0.659  -1.579  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        6.363  -0.821  -1.294  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.910   0.093  -0.218  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.264   1.302   0.100  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.810   2.147   1.076  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.001   1.807   1.716  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.653   0.620   1.389  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.955   1.662  -0.558  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        8.113  -0.231   0.425  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.642   0.778  -1.775  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 6