REMARK  Name = BDB007782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.495   1.269   1.876  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.328   2.200   1.276  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1       -0.118   2.893   0.693  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.129   0.591   2.830  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.966   0.053   3.241  0.00  0.00    +0.173 C 
ATOM      6  N   LIG    1       -2.903   0.616   1.911  0.00  0.00    -0.261 N 
ATOM      7  C   LIG    1       -1.811   1.176   1.294  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -2.286   1.568   0.052  0.00  0.00    +0.077 A 
ATOM      9  C   LIG    1       -3.652   1.222   0.028  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -4.028   0.659   1.172  0.00  0.00    -0.156 NA
BRANCH   9  11
ATOM     11  N   LIG    1       -4.433   1.443  -1.049  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -3.994   1.619  -1.946  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.790   0.900  -1.119  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -5.773  -0.586  -1.499  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -6.054  -0.770  -2.980  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -7.331  -0.264  -3.362  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -7.757   0.909  -2.665  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -6.601   1.731  -2.122  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1        1.616   2.552   1.847  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.692   1.460   1.754  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.928   2.000   2.251  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        4.625   1.455   1.830  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.915   0.984   0.301  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.128   0.144   0.164  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        3.950  -1.168   0.829  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.060  -2.160   0.538  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.915  -1.991  -0.565  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.913  -2.938  -0.827  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.050  -4.060  -0.011  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.194  -4.242   1.072  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.794  -0.759  -1.423  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.202  -3.300   1.344  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.431  -0.077  -1.261  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8