REMARK  Name = BDB014036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.765  -0.505  -1.064  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.988  -0.119   0.211  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.405   0.800   0.928  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.209  -0.794   0.464  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.592  -2.015  -0.183  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.365  -2.996  -0.523  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.040  -4.166  -1.190  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.381  -4.386  -1.491  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.334  -3.446  -1.118  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.807  -2.867  -0.106  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.943  -2.276  -0.462  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.551  -1.801  -0.893  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.216   0.771  -2.635  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.660   0.605  -1.390  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.896   1.234  -0.628  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.976   0.018  -3.578  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.131   2.010  -2.769  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.321   3.113  -3.450  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.264   2.691  -3.770  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.347   1.600  -3.495  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.064   1.142  -4.365  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.093  -0.239   1.499  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.136   0.767   1.024  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -3.253   1.068   1.844  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1       -4.207   1.999   1.391  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -4.064   2.639   0.162  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -2.959   2.362  -0.633  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.002   1.441  -0.205  0.00  0.00    +0.006 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -3.451   0.446   3.161  0.00  0.00    -0.018 A 
ATOM     30  C   LIG    1       -4.345  -0.624   3.322  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -4.528  -1.218   4.573  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -3.824  -0.745   5.679  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.938   0.321   5.536  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -2.754   0.914   4.286  0.00  0.00    +0.008 A 
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6