REMARK  Name = BDB057103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.829  -0.026  -0.267  0.00  0.00    +0.102 A 
ATOM      2  C   LIG    1        4.542  -1.147   0.379  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        4.027  -2.423   0.165  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        4.636  -3.542   0.753  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        5.778  -3.385   1.536  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        6.321  -2.115   1.720  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.860  -2.604  -0.718  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1        2.405  -3.733  -0.891  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        2.363  -1.458  -1.328  0.00  0.00    -0.224 N 
ATOM     10  C   LIG    1        5.713  -0.999   1.137  0.00  0.00    +0.011 A 
ATOM     11  N   LIG    1        2.834  -0.188  -1.085  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        4.793   4.821  -0.831  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        4.604   3.503  -0.276  0.00  0.00    -0.274 N 
ATOM     14  N   LIG    1        4.776   3.307   1.044  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        4.491   2.013   1.208  0.00  0.00    +0.144 A 
ATOM     16  C   LIG    1        4.192   1.356  -0.009  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.249   2.371  -0.947  0.00  0.00    +0.118 A 
ENDBRANCH   1  16
BRANCH   9  18
ATOM     18  C   LIG    1        1.178  -1.556  -2.174  0.00  0.00    +0.182 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.101  -1.366  -1.388  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -0.571  -0.076  -1.097  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -1.739   0.104  -0.351  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -2.452  -1.007   0.114  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -1.972  -2.295  -0.148  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -0.804  -2.473  -0.894  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.701  -0.864   0.913  0.00  0.00    +0.244 C 
ATOM     26  N   LIG    1       -4.451   0.271   0.672  0.00  0.00    -0.308 N 
ATOM     27  H   LIG    1       -4.251   0.801  -0.166  0.00  0.00    +0.149 HD
ATOM     28  O   LIG    1       -4.034  -1.739   1.703  0.00  0.00    -0.270 OA
BRANCH  26  29
ATOM     29  C   LIG    1       -5.754   0.450   1.293  0.00  0.00    +0.073 C 
ATOM     30  C   LIG    1       -6.216   1.902   1.208  0.00  0.00    +0.022 C 
ATOM     31  C   LIG    1       -6.834   2.040  -0.183  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -7.194   0.625  -0.635  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -6.853  -0.292   0.536  0.00  0.00    +0.022 C 
ENDBRANCH  26  29
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 5