REMARK  Name = BDB008611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.114   0.352   0.229  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.793  -0.711  -0.574  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        0.537  -1.128  -0.138  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.065  -2.225  -0.785  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.605  -2.861  -1.838  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.860  -2.420  -2.250  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.200  -0.242   0.934  0.00  0.00    +0.091 A 
ATOM      8  C   LIG    1        2.480  -1.335  -1.626  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        1.206   0.616   1.183  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.031  -0.234   1.822  0.00  0.00    +0.124 C 
ATOM     11  C   LIG    1       -1.265   1.091   2.563  0.00  0.00    +0.035 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.270  -0.667   1.118  0.00  0.00    -0.288 N 
ATOM     13  C   LIG    1       -2.745   0.125   0.057  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -2.084   1.053  -0.417  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -4.160  -0.188  -0.503  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -4.409   0.250  -1.846  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -4.542   1.671  -1.984  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -5.248   2.343  -0.796  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -6.120   1.399  -0.079  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -6.729   0.969  -0.780  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.257   0.329   0.465  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -3.092  -1.626   1.831  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -3.552  -2.928   1.224  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -2.526  -2.944   2.309  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        3.307   1.177   0.142  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.486   0.559   0.890  0.00  0.00    +0.025 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.736   1.445   0.890  0.00  0.00    +0.030 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.231   1.850  -0.496  0.00  0.00    +0.159 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.812   1.015  -2.621  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        6.332   0.693  -1.322  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9