REMARK  Name = BDB061445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.187  -0.160  -0.436  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -3.768  -0.595  -0.390  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -2.729   0.210   0.023  0.00  0.00    -0.307 N 
ATOM      4  C   LIG    1       -1.570  -0.507  -0.094  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -1.965  -1.748  -0.563  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -0.972  -2.705  -0.774  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        0.347  -2.321  -0.500  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        0.630  -1.026  -0.040  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1       -0.324  -0.079   0.182  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -3.323  -1.791  -0.739  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.009  -0.587   0.248  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        3.094  -0.971  -0.548  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        4.369  -0.531  -0.223  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.627   0.252   0.835  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        3.589   0.638   1.592  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        2.284   0.246   1.339  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        5.465  -0.924  -0.990  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        6.281  -0.463  -0.594  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        5.341  -0.692  -1.968  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        3.884   1.440   2.692  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        4.881   1.635   2.661  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        3.331   2.288   2.697  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -2.791   1.572   0.502  0.00  0.00    +0.196 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.329   2.560  -0.545  0.00  0.00    +0.361 C 
ATOM     25  F   LIG    1       -2.259   3.798   0.015  0.00  0.00    -0.207 F 
ATOM     26  F   LIG    1       -3.262   2.647  -1.530  0.00  0.00    -0.207 F 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5