REMARK  Name = BDB036400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.305   0.356  -0.039  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.997  -0.811  -0.299  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.006  -0.959  -0.957  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.304  -1.886   0.415  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.254  -1.325   1.142  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.436  -2.128   1.931  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -0.710  -3.509   1.943  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.775  -4.056   1.202  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.590  -3.236   0.426  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.230   0.154   0.923  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.363   2.084  -2.412  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.264   1.988  -1.869  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.125   2.254  -0.531  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.984   2.464  -0.043  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.019   2.083   0.261  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.103   2.187   1.485  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -2.715   1.697  -0.440  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.741   1.957  -1.944  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.035   1.557  -2.630  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.706  -1.560   2.727  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.834  -1.272   1.867  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.155  -2.024   1.275  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.270   0.014   1.648  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        1.757   0.989   2.185  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.384   0.200   0.672  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        3.569   1.476   0.123  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        4.589   1.709  -0.804  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.443   0.670  -1.198  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        5.273  -0.600  -0.625  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        4.253  -0.836   0.305  0.00  0.00    +0.013 A 
BRANCH  28  31
ATOM     31  C   LIG    1        6.556   0.912  -2.190  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        6.678  -0.098  -3.096  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.771   1.023  -1.585  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        6.391   2.049  -2.919  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5