REMARK  Name = BDB065167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.377   0.285   1.058  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -1.872  -1.074   1.113  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -3.104  -1.109   0.468  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -3.868  -2.275   0.335  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -3.354  -3.452   0.884  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.126  -3.457   1.539  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -3.358   0.165   0.035  0.00  0.00    -0.354 N 
ATOM      8  H   LIG    1       -4.186   0.435  -0.474  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -1.379  -2.280   1.661  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.341   1.023   0.376  0.00  0.00    +0.055 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -2.389   2.539  -0.009  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1       -3.450   3.107  -0.686  0.00  0.00    +0.092 A 
ATOM     13  N   LIG    1       -3.183   4.440  -0.870  0.00  0.00    -0.366 N 
ATOM     14  H   LIG    1       -3.792   5.102  -1.335  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -1.963   4.733  -0.328  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1       -1.449   3.574   0.214  0.00  0.00    +0.029 A 
ENDBRANCH  10  11
BRANCH   1  17
ATOM     17  C   LIG    1       -0.085   0.750   1.667  0.00  0.00    +0.177 C 
BRANCH  17  22
ATOM     18  C   LIG    1        2.171   0.390  -1.417  0.00  0.00    +0.166 A 
ATOM     19  C   LIG    1        3.096  -0.562  -0.962  0.00  0.00    +0.204 A 
ATOM     20  C   LIG    1        3.031  -1.077   0.343  0.00  0.00    +0.166 A 
ATOM     21  C   LIG    1        1.996  -0.655   1.183  0.00  0.00    +0.056 A 
ATOM     22  C   LIG    1        1.034   0.278   0.748  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1        1.149   0.800  -0.557  0.00  0.00    +0.056 A 
BRANCH  18  25
ATOM     24  C   LIG    1        1.437   1.830  -3.172  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        2.345   0.846  -2.699  0.00  0.00    -0.491 OA
ENDBRANCH  18  25
BRANCH  19  26
ATOM     26  O   LIG    1        4.131  -0.945  -1.788  0.00  0.00    -0.488 OA
ATOM     27  C   LIG    1        3.741  -2.091  -2.542  0.00  0.00    +0.277 C 
ENDBRANCH  19  26
BRANCH  20  28
ATOM     28  O   LIG    1        4.002  -1.981   0.690  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        4.043  -2.405   2.046  0.00  0.00    +0.277 C 
ENDBRANCH  20  28
ENDBRANCH  17  22
BRANCH  17  30
ATOM     30  O   LIG    1        0.075   0.257   2.999  0.00  0.00    -0.382 OA
ATOM     31  H   LIG    1       -0.790   0.385   3.426  0.00  0.00    +0.211 HD
ENDBRANCH  17  30
ENDBRANCH   1  17
TORSDOF 7