REMARK  Name = BDB036011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.080   1.655  -0.334  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.913   0.660   0.199  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -2.254   0.901   0.581  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1       -2.718   2.218   0.401  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -1.901   3.222  -0.124  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.587   2.940  -0.491  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.163  -0.283   1.168  0.00  0.00    +0.056 C 
ATOM      8  C   LIG    1       -2.683  -0.885   2.540  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1       -4.167  -1.054   2.941  0.00  0.00    -0.012 C 
ATOM     10  C   LIG    1       -4.511  -0.773   4.389  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1       -4.495   0.065   1.923  0.00  0.00    +0.022 C 
BRANCH   7  12
ATOM     12  C   LIG    1       -3.385  -1.391   0.047  0.00  0.00    +0.144 A 
ATOM     13  N   LIG    1       -3.962  -1.230  -1.183  0.00  0.00    -0.320 N 
ATOM     14  C   LIG    1       -4.502  -0.032  -1.761  0.00  0.00    +0.151 C 
ATOM     15  C   LIG    1       -3.909  -2.450  -1.786  0.00  0.00    +0.224 A 
ATOM     16  N   LIG    1       -3.334  -3.312  -0.981  0.00  0.00    -0.138 NA
ATOM     17  N   LIG    1       -2.999  -2.645   0.172  0.00  0.00    -0.134 NA
ENDBRANCH   7  12
ENDBRANCH   3   7
BRANCH   1  19
ATOM     18  C   LIG    1        2.231   2.059  -1.223  0.00  0.00    +0.267 C 
ATOM     19  N   LIG    1        1.228   1.278  -0.680  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        1.496   0.308  -0.522  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        2.172   3.247  -1.515  0.00  0.00    -0.268 OA
BRANCH  18  27
ATOM     22  C   LIG    1        6.972   1.730  -2.716  0.00  0.00    +0.066 C 
ATOM     23  C   LIG    1        5.712   1.149  -2.149  0.00  0.00    +0.042 A 
ATOM     24  N   LIG    1        5.723  -0.160  -1.822  0.00  0.00    -0.237 NA
ATOM     25  C   LIG    1        4.604  -0.710  -1.306  0.00  0.00    +0.133 A 
ATOM     26  N   LIG    1        3.471  -0.015  -1.110  0.00  0.00    -0.227 NA
ATOM     27  C   LIG    1        3.502   1.296  -1.452  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1        4.599   1.936  -1.978  0.00  0.00    +0.056 A 
BRANCH  25  29
ATOM     29  C   LIG    1        4.622  -2.174  -0.946  0.00  0.00    +0.057 C 
ATOM     30  C   LIG    1        4.178  -2.628   0.427  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1        5.628  -2.697   0.054  0.00  0.00    +0.012 C 
ENDBRANCH  25  29
ENDBRANCH  18  27
ENDBRANCH   1  19
TORSDOF 5