REMARK  Name = BDB036192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.679  -1.387  -0.178  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.711  -0.461  -0.815  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.210   0.229   0.216  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.895  -0.682   1.159  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.130  -1.512   1.827  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.113  -2.246   0.885  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.498   0.234   0.223  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -5.137  -0.285  -0.979  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1       -3.884  -0.824  -1.081  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -2.961  -0.851  -0.012  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -3.396  -0.309   1.205  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.672   0.239   1.331  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1       -8.959   1.177  -0.968  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -7.580   0.782  -0.876  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -7.132   0.296  -1.649  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -6.878   0.813   0.310  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1       -7.319   1.259   1.363  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
BRANCH   9  18
ATOM     18  C   LIG    1       -3.506  -1.440  -2.416  0.00  0.00    +0.391 C 
ATOM     19  F   LIG    1       -4.574  -1.635  -3.249  0.00  0.00    -0.202 F 
ATOM     20  F   LIG    1       -2.630  -0.676  -3.135  0.00  0.00    -0.202 F 
ENDBRANCH   9  18
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  C   LIG    1        1.924  -1.521   0.525  0.00  0.00    +0.122 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.140  -0.738   0.089  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.070  -0.291   1.032  0.00  0.00    +0.153 A 
ATOM     24  F   LIG    1        3.902  -0.586   2.332  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        5.188   0.448   0.644  0.00  0.00    +0.104 A 
ATOM     26  C   LIG    1        5.404   0.755  -0.705  0.00  0.00    +0.090 A 
ATOM     27  N   LIG    1        6.518   1.495  -1.140  0.00  0.00    -0.245 NA
ATOM     28  C   LIG    1        7.369   1.904  -0.243  0.00  0.00    +0.103 A 
ATOM     29  C   LIG    1        7.216   1.617   1.251  0.00  0.00    +0.270 A 
ATOM     30  O   LIG    1        8.043   2.023   2.052  0.00  0.00    -0.266 OA
ATOM     31  C   LIG    1        8.574   2.699  -0.651  0.00  0.00    +0.071 C 
ATOM     32  C   LIG    1        4.482   0.306  -1.652  0.00  0.00    +0.030 A 
ATOM     33  N   LIG    1        6.109   0.889   1.602  0.00  0.00    -0.317 N 
ATOM     34  H   LIG    1        5.963   0.678   2.581  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1        3.359  -0.433  -1.263  0.00  0.00    +0.010 A 
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5