REMARK  Name = BDB036227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.756  -1.013  -0.557  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.678  -0.118  -0.068  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.355  -0.385  -0.826  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.072  -1.803  -0.763  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        1.027  -2.646  -1.288  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.355  -2.436  -0.525  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.565   0.122   0.736  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.807   1.029   0.065  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        4.583   0.596  -0.331  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        4.037  -0.676  -0.094  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.877  -1.563   0.590  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        6.148  -1.169   1.015  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.423   2.544   1.239  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.230   1.875   0.801  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.482   2.394   0.348  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.920   0.586   1.182  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.662  -0.137   1.836  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.300  -2.029  -1.546  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.527  -1.423  -0.907  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.355  -0.562  -1.631  0.00  0.00    +0.153 A 
ATOM     21  F   LIG    1       -3.052  -0.252  -2.902  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -4.500  -0.010  -1.053  0.00  0.00    +0.104 A 
ATOM     23  C   LIG    1       -4.847  -0.315   0.270  0.00  0.00    +0.091 A 
ATOM     24  N   LIG    1       -5.990   0.220   0.893  0.00  0.00    -0.244 NA
ATOM     25  C   LIG    1       -6.730   1.025   0.191  0.00  0.00    +0.109 A 
ATOM     26  C   LIG    1       -6.450   1.409  -1.258  0.00  0.00    +0.271 A 
ATOM     27  O   LIG    1       -7.197   2.152  -1.876  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -4.028  -1.181   0.996  0.00  0.00    +0.030 A 
ATOM     29  N   LIG    1       -5.316   0.855  -1.796  0.00  0.00    -0.317 N 
ATOM     30  H   LIG    1       -5.083   1.077  -2.755  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -2.881  -1.733   0.415  0.00  0.00    +0.010 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -7.947   1.620   0.789  0.00  0.00    +0.043 C 
ATOM     33  C   LIG    1       -7.887   3.014   1.372  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -8.067   1.835   2.281  0.00  0.00    +0.010 C 
ENDBRANCH  25  32
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5