REMARK  Name = BDB018649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.813  -0.279  -0.508  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        0.062   0.386   0.366  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        1.412   0.523   0.043  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1        2.270   1.192   0.921  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1        1.887   1.718   1.697  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        3.629   1.273   0.752  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        4.244   0.318  -0.273  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1        4.401  -1.074   0.368  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        5.843  -1.204   0.746  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        6.518   0.086   0.473  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        3.353   0.281  -1.521  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        5.680   0.711  -0.630  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1        4.294   2.026   1.459  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        1.914   0.025  -1.162  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        1.049  -0.623  -2.046  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -0.299  -0.781  -1.715  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -2.823  -1.690   0.089  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1       -2.240  -0.431  -0.172  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -3.053   0.719  -0.106  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -4.418   0.644   0.208  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1       -4.972  -0.616   0.459  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -4.185  -1.770   0.400  0.00  0.00    +0.046 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.293   1.883   0.276  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -5.378   2.585  -1.082  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.815   2.851   1.361  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
BRANCH  17  27
ATOM     26  C   LIG    1       -2.521  -4.048   0.348  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -1.983  -2.774   0.022  0.00  0.00    -0.495 OA
ENDBRANCH  17  27
ENDBRANCH   1  18
BRANCH   9  28
ATOM     28  C   LIG    1        6.302  -2.115   1.615  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1        6.694  -2.903   2.366  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 4