REMARK  Name = BDB051003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.353  -1.773  -0.116  0.00  0.00    -0.215 N 
ATOM      2  C   LIG    1        2.180  -1.001  -0.886  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        1.849  -0.351  -1.869  0.00  0.00    -0.272 OA
ATOM      4  C   LIG    1        3.583  -1.081  -0.277  0.00  0.00    +0.138 C 
ATOM      5  C   LIG    1        4.147   0.221   0.223  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        5.513   0.316  -0.086  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1        6.262   1.418   0.312  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        5.614   2.440   1.018  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.248   2.345   1.325  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        5.978  -0.916  -0.808  0.00  0.00    +0.040 C 
ATOM     11  C   LIG    1        3.507   1.228   0.933  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        4.652  -1.529  -1.284  0.00  0.00    +0.045 C 
ATOM     13  N   LIG    1        3.371  -2.023   0.789  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1        3.991  -2.155   1.577  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1        2.033  -2.321   0.927  0.00  0.00    +0.310 C 
ATOM     16  O   LIG    1        1.569  -2.965   1.852  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        7.662   1.516   0.023  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1        8.796   1.587  -0.212  0.00  0.00    -0.191 NA
ENDBRANCH   7  17
BRANCH   1  19
ATOM     19  C   LIG    1       -0.085  -1.812  -0.252  0.00  0.00    +0.213 C 
BRANCH  19  21
ATOM     20  N   LIG    1       -2.103  -0.534   0.525  0.00  0.00    -0.293 N 
ATOM     21  C   LIG    1       -0.707  -0.640   0.524  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1        0.009   0.188   1.096  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -3.345  -2.565   1.174  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1       -2.999  -1.604   0.033  0.00  0.00    +0.076 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.176  -1.040  -0.726  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -5.278  -1.935  -1.245  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.577  -0.931  -0.168  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
BRANCH  20  28
ATOM     28  C   LIG    1       -2.688   0.580   1.287  0.00  0.00    +0.143 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.060   1.776   0.436  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -2.137   2.368  -0.439  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.491   3.482  -1.203  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.768   4.027  -1.094  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.690   3.463  -0.215  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.336   2.350   0.550  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH  20  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7