REMARK  Name = BDB008622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.116  -1.202   0.258  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        1.664  -2.067  -0.751  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1        0.316  -2.338  -0.962  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.291  -3.240  -2.046  0.00  0.00    +0.143 A 
ATOM      5  N   LIG    1        1.510  -3.528  -2.505  0.00  0.00    -0.179 NA
ATOM      6  C   LIG    1       -0.648  -1.728  -0.143  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -0.246  -0.843   0.877  0.00  0.00    -0.023 A 
ATOM      8  N   LIG    1        2.325  -2.814  -1.700  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1        3.753  -2.897  -1.896  0.00  0.00    +0.173 C 
ATOM     10  C   LIG    1        1.129  -0.606   1.063  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.329  -0.203   1.748  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -0.844   0.575   2.981  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.285   0.602   0.944  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -3.587   0.099   0.797  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.892  -1.041   1.166  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -4.652   1.002   0.138  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -5.846   1.037   0.948  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -6.874   0.185   0.435  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -7.289   0.631  -0.979  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -6.168   0.998  -1.871  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -6.118   2.018  -1.896  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.904   0.495  -1.303  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.926   1.961   0.595  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -1.840   2.400  -0.847  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -0.605   2.366  -0.009  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  O   LIG    1        3.462  -1.004   0.373  0.00  0.00    -0.490 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.923  -0.165   1.430  0.00  0.00    +0.231 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.445  -0.109   1.384  0.00  0.00    +0.069 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.960   0.487   0.079  0.00  0.00    +0.163 C 
BRANCH  29  31
ATOM     30  C   LIG    1        7.946   1.106  -1.030  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        7.383   0.571   0.161  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9