REMARK  Name = BDB042635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.738  -1.614   0.148  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.998  -0.866   1.376  0.00  0.00    -0.293 NA
ATOM      3  C   LIG    1       -1.255   0.583   1.212  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -2.475   0.908   0.300  0.00  0.00    +0.125 C 
ATOM      5  N   LIG    1       -3.708   0.225   0.757  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -3.533  -1.146   1.284  0.00  0.00    +0.125 C 
ATOM      7  C   LIG    1       -1.554   0.963   2.669  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -2.189  -0.297   3.266  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1       -2.213  -1.295   2.101  0.00  0.00    +0.074 C 
BRANCH   5  10
ATOM     10  C   LIG    1       -4.823   0.462  -0.054  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1       -4.692   1.281  -1.123  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -5.773   1.533  -1.902  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1       -7.029   1.008  -1.669  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -7.180   0.180  -0.565  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -6.072  -0.088   0.247  0.00  0.00    +0.045 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -8.124   1.317  -2.530  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1       -9.014   1.566  -3.231  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   5  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.593  -1.236  -0.516  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.801  -1.460   0.401  0.00  0.00    +0.054 C 
BRANCH  19  27
ATOM     20  C   LIG    1        5.429   2.451   0.596  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        5.844   1.423  -0.421  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        5.074   0.271  -0.690  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1        5.530  -0.648  -1.658  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        4.726  -1.862  -1.945  0.00  0.00    +0.257 A 
ATOM     25  N   LIG    1        3.561  -2.007  -1.229  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        3.033  -2.847  -1.438  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        3.100  -1.119  -0.288  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        5.080  -2.692  -2.775  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        6.723  -0.440  -2.353  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        7.466   0.695  -2.079  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        8.613   0.909  -2.737  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        3.807  -0.015   0.003  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        7.043   1.620  -1.129  0.00  0.00    +0.042 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6