REMARK  Name = BDB046604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.633   0.863  -0.861  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -1.426   1.257   0.411  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1       -2.207   0.086   0.992  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -2.584  -1.011   0.092  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -3.359  -2.042   0.609  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -3.722  -2.007   2.033  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1       -3.239  -0.940   2.754  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -3.489  -0.890   3.736  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1       -4.405  -2.890   2.539  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -3.772  -3.091  -0.215  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.403  -3.089  -1.558  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.610  -2.054  -2.064  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -2.155  -1.018  -1.237  0.00  0.00    +0.037 A 
ATOM     14  N   LIG    1       -2.513   0.103   2.258  0.00  0.00    -0.175 NA
ATOM     15  N   LIG    1       -1.410   0.027  -1.794  0.00  0.00    -0.336 N 
ATOM     16  H   LIG    1       -0.853  -0.280  -2.590  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -2.346   2.468   0.226  0.00  0.00    -0.036 A 
ATOM     18  C   LIG    1       -2.324   3.499   1.185  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -3.158   4.611   1.057  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -4.025   4.696  -0.024  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -4.825   5.763  -0.147  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.077   3.687  -0.976  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -3.243   2.573  -0.850  0.00  0.00    +0.007 A 
ENDBRANCH   2  17
BRANCH   1  27
ATOM     24  C   LIG    1        3.302  -0.958  -0.359  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        2.299  -1.187   0.590  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        1.032  -0.609   0.453  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        0.736   0.217  -0.640  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1        1.745   0.433  -1.597  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        3.010  -0.144  -1.459  0.00  0.00    +0.005 A 
BRANCH  24  30
ATOM     30  C   LIG    1        4.665  -1.600  -0.210  0.00  0.00    +0.119 C 
BRANCH  30  32
ATOM     31  C   LIG    1        6.506  -2.129   1.247  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        5.331  -1.276   1.065  0.00  0.00    -0.304 NA
ATOM     33  C   LIG    1        5.726   0.134   1.119  0.00  0.00    +0.104 C 
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH   1  27
TORSDOF 4