REMARK  Name = BDB060602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.981   2.033   0.382  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1       -1.968   2.233   1.511  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.795   1.357   1.087  0.00  0.00    +0.177 C 
ATOM      4  C   LIG    1       -0.863   1.452  -0.439  0.00  0.00    +0.166 C 
ATOM      5  O   LIG    1       -2.278   1.482  -0.751  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.820  -1.532   2.079  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1       -5.481  -0.380   1.350  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1       -6.221   0.448   0.532  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -5.365   1.358   0.119  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1       -4.114   1.176   0.657  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1       -4.170   0.062   1.450  0.00  0.00    +0.167 A 
ATOM     12  N   LIG    1       -3.186  -0.493   2.179  0.00  0.00    -0.216 NA
ATOM     13  C   LIG    1       -3.631  -1.584   2.838  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -4.869  -2.119   2.839  0.00  0.00    -0.219 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -7.093  -2.088   2.074  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1       -7.815  -1.444   1.772  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -7.272  -2.651   2.894  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -1.545   3.612   1.552  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -0.573   3.595   1.678  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        0.408   1.861   1.663  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        0.417   1.579   2.597  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1       -0.229   0.264  -1.202  0.00  0.00    +0.118 C 
BRANCH  22  23
ATOM     23  N   LIG    1        1.166   0.427  -1.652  0.00  0.00    -0.300 NA
ATOM     24  C   LIG    1        1.583  -0.672  -2.539  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        2.442  -1.720  -1.833  0.00  0.00    +0.023 C 
ATOM     26  C   LIG    1        3.754  -1.109  -1.304  0.00  0.00    -0.013 C 
ATOM     27  C   LIG    1        4.290  -1.908  -0.111  0.00  0.00    +0.088 C 
ATOM     28  N   LIG    1        5.730  -1.627  -0.044  0.00  0.00    -0.315 NA
ATOM     29  H   LIG    1        5.898  -0.860   0.607  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        6.155  -1.207  -1.388  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        4.924  -1.281  -2.279  0.00  0.00    +0.023 C 
ATOM     32  C   LIG    1        3.555   0.390  -0.954  0.00  0.00    +0.023 C 
ATOM     33  C   LIG    1        2.106   0.680  -0.555  0.00  0.00    +0.085 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6