REMARK  Name = BDB017377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.052   0.661   0.138  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        1.629   0.090   0.246  0.00  0.00    +0.239 C 
ATOM      3  O   LIG    1        1.195  -0.733  -0.565  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.858   0.584   1.268  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1        1.357   1.293   2.424  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        0.099   1.685   3.192  0.00  0.00    +0.060 C 
ATOM      7  C   LIG    1       -0.873   0.520   2.918  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -2.322   0.950   3.172  0.00  0.00    +0.013 C 
ATOM      9  C   LIG    1       -0.561  -0.677   3.839  0.00  0.00    +0.013 C 
ATOM     10  O   LIG    1        2.167   2.426   2.147  0.00  0.00    -0.359 OA
ATOM     11  C   LIG    1        2.109   2.951   0.830  0.00  0.00    +0.164 C 
ATOM     12  C   LIG    1       -0.531   0.152   1.448  0.00  0.00    +0.170 C 
ATOM     13  C   LIG    1        3.014   2.169  -0.121  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        5.100  -0.111  -1.047  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        3.732  -0.047  -0.946  0.00  0.00    -0.303 N 
ATOM     16  H   LIG    1        3.135  -0.561  -1.586  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        5.839   0.486  -0.264  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        5.634  -0.922  -2.259  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        5.019  -2.317  -2.360  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        7.707  -1.858  -1.296  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        7.119  -0.937  -2.263  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        7.419   0.009  -2.004  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  C   LIG    1       -1.422   0.867   0.405  0.00  0.00    +0.235 C 
ATOM     24  N   LIG    1       -2.516   0.130   0.006  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1       -2.582  -0.847   0.263  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -1.210   2.011   0.008  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -3.446   0.620  -1.002  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -4.127  -0.567  -1.658  0.00  0.00    -0.024 A 
ATOM     29  C   LIG    1       -5.459  -0.915  -1.362  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -6.030  -2.039  -1.979  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.287  -2.821  -2.863  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.967  -2.487  -3.146  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.314  -0.072  -0.449  0.00  0.00    +0.035 C 
ATOM     34  C   LIG    1       -5.507   0.875   0.435  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -3.389  -1.368  -2.548  0.00  0.00    +0.006 A 
ATOM     36  C   LIG    1       -4.453   1.607  -0.390  0.00  0.00    +0.027 C 
ENDBRANCH  24  27
ENDBRANCH  12  23
TORSDOF 5