REMARK  Name = BDB008598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.717   1.377   0.906  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.026   2.749   0.908  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1        2.263  -0.821  -0.217  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1        1.673  -2.095  -0.227  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.346  -2.195   0.166  0.00  0.00    +0.139 A 
ATOM      6  O   LIG    1       -0.067  -3.492   0.114  0.00  0.00    -0.463 OA
ATOM      7  C   LIG    1        0.989  -4.226  -0.324  0.00  0.00    +0.196 A 
ATOM      8  C   LIG    1       -0.440  -1.109   0.551  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        0.143   0.177   0.506  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1        2.080  -3.418  -0.550  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1        1.492   0.301   0.127  0.00  0.00    +0.052 A 
BRANCH   3  12
ATOM     12  O   LIG    1        3.568  -0.620  -0.613  0.00  0.00    -0.491 OA
BRANCH  12  13
ATOM     13  C   LIG    1        4.451  -0.848   0.493  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.875  -0.605   0.013  0.00  0.00    +0.069 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.886  -0.833   1.130  0.00  0.00    +0.163 C 
BRANCH  15  17
ATOM     16  C   LIG    1        8.832  -1.522  -0.053  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        8.209  -0.500   0.713  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.996   1.423   0.150  0.00  0.00    -0.290 N 
ATOM     19  C   LIG    1       -3.180   1.225   0.877  0.00  0.00    +0.235 C 
ATOM     20  O   LIG    1       -3.169   0.938   2.079  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.533   1.377   0.136  0.00  0.00    +0.155 C 
ATOM     22  N   LIG    1       -5.548   2.011   1.042  0.00  0.00    -0.303 NA
ATOM     23  H   LIG    1       -5.043   2.520   1.772  0.00  0.00    +0.123 HD
ATOM     24  C   LIG    1       -6.374   0.983   1.697  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -7.093   0.041   0.702  0.00  0.00    +0.096 C 
ATOM     26  N   LIG    1       -6.438  -0.087  -0.615  0.00  0.00    -0.313 NA
ATOM     27  H   LIG    1       -6.710   0.744  -1.147  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -4.975   0.001  -0.425  0.00  0.00    +0.109 C 
ENDBRANCH  19  21
BRANCH  18  29
ATOM     29  C   LIG    1       -1.992   1.975  -1.190  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1       -0.947   1.701  -2.241  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -2.310   1.110  -2.385  0.00  0.00    +0.024 C 
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 9