REMARK  Name = BDB017393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.142  -1.168   0.365  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1       -0.705  -1.001  -0.147  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1       -0.439  -0.253  -1.094  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.268  -1.756   0.461  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1        0.137  -2.565   1.650  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        1.343  -3.493   1.565  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        2.428  -2.635   0.926  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1       -1.064  -3.314   1.747  0.00  0.00    -0.359 OA
ATOM      9  C   LIG    1       -1.693  -3.678   0.528  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        1.675  -1.597   0.080  0.00  0.00    +0.168 C 
ATOM     11  C   LIG    1       -2.653  -2.580   0.082  0.00  0.00    +0.060 C 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1        2.163  -0.198   0.463  0.00  0.00    +0.252 C 
ATOM     13  N   LIG    1        3.254   0.301  -0.289  0.00  0.00    -0.286 N 
ATOM     14  C   LIG    1        3.835   1.571  -0.149  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1        4.897   1.664  -1.057  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.654   2.852  -1.121  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        5.336   3.922  -0.281  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.278   3.822   0.613  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.965   0.438  -1.755  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        3.514   2.653   0.694  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        3.966  -0.372  -1.273  0.00  0.00    +0.095 A 
ATOM     22  O   LIG    1        1.708   0.450   1.403  0.00  0.00    -0.270 OA
ENDBRANCH  10  12
BRANCH   1  24
ATOM     23  C   LIG    1       -4.177   0.253   0.194  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -2.965  -0.164  -0.303  0.00  0.00    -0.303 N 
ATOM     25  H   LIG    1       -2.525   0.347  -1.063  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -4.694  -0.252   1.188  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -4.837   1.414  -0.577  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -5.104   1.017  -2.027  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -3.907   3.203   0.785  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -3.989   2.628  -0.554  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -3.050   2.410  -0.881  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH   1  24
TORSDOF 4