REMARK  Name = BDB056476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.880   1.756  -0.182  0.00  0.00    +0.060 C 
ATOM      2  C   LIG    1       -2.126   3.215  -0.099  0.00  0.00    +0.252 C 
ATOM      3  O   LIG    1       -3.194   3.788  -0.206  0.00  0.00    -0.270 OA
ATOM      4  N   LIG    1       -0.941   3.812   0.143  0.00  0.00    -0.248 N 
ATOM      5  H   LIG    1       -0.826   4.798   0.308  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1        0.025   2.892   0.335  0.00  0.00    +0.253 C 
ATOM      7  O   LIG    1        1.158   3.119   0.719  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.574   1.570   0.067  0.00  0.00    +0.078 C 
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1       -4.091  -2.139  -2.233  0.00  0.00    +0.149 C 
ATOM     10  N   LIG    1       -3.868  -0.979  -1.400  0.00  0.00    -0.349 N 
ATOM     11  C   LIG    1       -4.768  -0.480  -0.482  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -4.174   0.645   0.104  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.898   1.345   1.095  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -6.177   0.911   1.461  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.742  -0.209   0.861  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -2.880   0.790  -0.483  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -6.050  -0.924  -0.119  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -2.725  -0.225  -1.405  0.00  0.00    +0.095 A 
ENDBRANCH   1  16
BRANCH   8  19
ATOM     19  C   LIG    1        0.184   0.370   0.127  0.00  0.00    +0.108 A 
ATOM     20  C   LIG    1       -0.073  -0.731   0.996  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        0.933  -1.644   0.716  0.00  0.00    +0.159 A 
ATOM     22  N   LIG    1        1.125  -2.854   1.282  0.00  0.00    -0.236 NA
ATOM     23  C   LIG    1        0.197  -3.146   2.222  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1       -0.858  -2.325   2.602  0.00  0.00    +0.020 A 
ATOM     25  N   LIG    1        1.710  -1.058  -0.245  0.00  0.00    -0.245 N 
ATOM     26  C   LIG    1       -1.008  -1.081   1.986  0.00  0.00    +0.015 A 
ATOM     27  N   LIG    1        1.244   0.139  -0.663  0.00  0.00    -0.168 NA
BRANCH  25  28
ATOM     28  C   LIG    1        2.907  -1.621  -0.834  0.00  0.00    +0.161 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.140  -1.552   0.086  0.00  0.00    +0.108 C 
BRANCH  29  30
ATOM     30  N   LIG    1        5.011  -0.369   0.032  0.00  0.00    -0.296 NA
ATOM     31  C   LIG    1        4.384   0.899   0.450  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1        4.210   1.909  -0.698  0.00  0.00    +0.175 C 
ATOM     33  O   LIG    1        5.444   2.232  -1.362  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1        6.402   1.166  -1.328  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1        5.751  -0.222  -1.231  0.00  0.00    +0.112 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH   8  19
TORSDOF 5