REMARK  Name = BDB048367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.030   4.418  -1.152  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.862   3.436  -0.364  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.215   2.309   0.128  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.742   2.198   0.163  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.319   0.789   0.374  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.034   0.182   0.354  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.134  -1.127   0.611  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.451  -1.367   0.755  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.197  -0.234   0.660  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.667  -0.082   0.780  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.985   1.409   1.013  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.063   3.647  -0.194  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.096   0.895   0.115  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.004   1.887  -0.045  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.450   0.500   0.015  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        1.889  -0.821   0.130  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.249  -1.149   0.027  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.213  -0.160  -0.188  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        3.784   1.166  -0.302  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.424   1.489  -0.200  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.617  -0.515  -0.299  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.678   0.303   0.032  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        7.811  -0.420  -0.204  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        9.174   0.008  -0.003  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        7.570  -1.659  -0.668  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        6.236  -1.716  -0.721  0.00  0.00    +0.142 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.907  -2.722   1.043  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.288  -3.561  -0.147  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.353  -3.738  -1.319  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.655  -3.005  -1.504  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5