REMARK  Name = BDB042660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.186  -0.798  -1.602  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.153  -0.537  -1.093  0.00  0.00    -0.293 NA
ATOM      3  C   LIG    1       -1.565   0.863  -0.902  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -3.122   0.897  -1.032  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1       -3.786   0.012  -0.033  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1       -3.101  -1.299   0.177  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1       -1.152   1.212   0.532  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -1.131  -0.132   1.258  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1       -1.543  -1.150   0.187  0.00  0.00    +0.074 C 
BRANCH   5  10
ATOM     10  C   LIG    1       -5.187   0.002   0.030  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -5.996   0.723  -0.868  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -7.394   0.713  -0.778  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -8.010  -0.012   0.228  0.00  0.00    +0.124 A 
ATOM     14  F   LIG    1       -9.346  -0.022   0.318  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -7.254  -0.719   1.147  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -5.858  -0.704   1.048  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.412  -0.348  -0.804  0.00  0.00    +0.021 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.706  -0.728  -1.537  0.00  0.00    +0.054 C 
BRANCH  18  27
ATOM     19  O   LIG    1        5.547   2.778  -0.087  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        5.326   1.573  -0.083  0.00  0.00    +0.258 A 
ATOM     21  C   LIG    1        6.213   0.625   0.620  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        5.907  -0.730   0.583  0.00  0.00    +0.078 A 
ATOM     23  N   LIG    1        6.657  -1.677   1.196  0.00  0.00    -0.255 NA
ATOM     24  C   LIG    1        7.750  -1.243   1.867  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        8.129   0.090   1.955  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        4.729  -1.200  -0.140  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        3.934  -0.317  -0.764  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        7.343   1.045   1.318  0.00  0.00    +0.017 A 
ATOM     29  N   LIG    1        4.240   1.026  -0.733  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1        3.647   1.694  -1.213  0.00  0.00    +0.169 HD
ENDBRANCH  18  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5