REMARK  Name = BDB035116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.405  -1.348   2.573  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -0.312  -0.974   1.333  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1       -1.739  -0.390   1.538  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1       -1.877   0.307   2.820  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1       -1.563  -0.596   3.943  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -0.555  -1.731   3.615  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.143   1.032   3.016  0.00  0.00    +0.101 C 
ATOM      8  C   LIG    1       -4.460   0.254   2.744  0.00  0.00    +0.166 C 
ATOM      9  N   LIG    1       -4.924   0.274   1.342  0.00  0.00    -0.267 NA
ATOM     10  C   LIG    1       -4.656   1.339   0.673  0.00  0.00    +0.120 C 
ATOM     11  C   LIG    1       -3.879   2.503   1.145  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -3.124   2.317   2.235  0.00  0.00    -0.003 C 
BRANCH  10  13
ATOM     13  N   LIG    1       -5.156   1.337  -0.602  0.00  0.00    -0.270 N 
ATOM     14  H   LIG    1       -5.671   0.490  -0.794  0.00  0.00    +0.156 HD
ATOM     15  C   LIG    1       -5.072   2.262  -1.627  0.00  0.00    +0.221 C 
ATOM     16  O   LIG    1       -4.470   3.324  -1.620  0.00  0.00    -0.275 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -5.789   1.834  -2.860  0.00  0.00    +0.075 C 
ATOM     18  C   LIG    1       -6.843   2.736  -3.458  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -7.247   1.438  -2.827  0.00  0.00    +0.013 C 
ENDBRANCH  15  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        1.415  -2.384   2.350  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        5.281  -0.301  -2.473  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        4.857  -1.755  -2.737  0.00  0.00    +0.217 C 
ATOM     23  O   LIG    1        5.170  -2.383  -3.746  0.00  0.00    -0.275 OA
ATOM     24  N   LIG    1        3.984  -2.328  -1.843  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1        3.808  -3.296  -2.083  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        4.087  -1.996  -0.446  0.00  0.00    +0.121 C 
ATOM     27  C   LIG    1        4.167  -0.478  -0.240  0.00  0.00    +0.130 C 
ATOM     28  N   LIG    1        4.222  -0.121   1.189  0.00  0.00    -0.286 NA
ATOM     29  C   LIG    1        3.388  -0.798   1.913  0.00  0.00    +0.110 C 
ATOM     30  C   LIG    1        2.534  -1.939   1.457  0.00  0.00    -0.018 C 
ATOM     31  C   LIG    1        2.915  -2.537   0.312  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        5.406   0.023  -0.974  0.00  0.00    +0.041 C 
BRANCH  21  34
ATOM     33  C   LIG    1        6.981   1.487  -3.172  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1        6.569   0.024  -3.250  0.00  0.00    +0.009 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 6