REMARK  Name = BDB036947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.228   0.459  -0.225  0.00  0.00    -0.286 N 
ATOM      2  C   LIG    1        0.402  -0.721   0.191  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -0.215  -1.727   0.530  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.895  -0.728   0.216  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        2.626   0.362  -0.282  0.00  0.00    -0.034 A 
ATOM      6  C   LIG    1        4.026   0.313  -0.280  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        4.689  -0.802   0.235  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        3.961  -1.878   0.742  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.901   1.542  -0.862  0.00  0.00    +0.055 C 
ATOM     10  C   LIG    1        2.567  -1.844   0.729  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        0.540   1.702  -0.194  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.529  -0.525   0.984  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.374  -0.278   0.650  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.430   0.077   1.581  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.743   0.102   2.541  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.161   0.557   1.353  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.513   1.057   2.273  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.691   0.556  -0.112  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -2.451  -0.484  -0.940  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.946  -0.247  -0.798  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1