REMARK  Name = BDB002406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.988  -1.370   1.323  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.190  -0.712   1.600  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.855   0.305   0.781  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.712   1.088   1.783  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        2.043   0.043   2.843  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.756  -0.760   2.936  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -1.599  -1.972   2.214  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.752  -0.302  -0.315  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.149   0.604  -1.275  0.00  0.00    -0.308 N 
ATOM     10  H   LIG    1        2.009   1.593  -1.109  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        2.108  -1.478  -0.325  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.165   0.265  -2.250  0.00  0.00    +0.159 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.544   0.587  -1.724  0.00  0.00    +0.058 A 
ATOM     14  N   LIG    1        4.958   1.878  -1.824  0.00  0.00    -0.258 NA
ATOM     15  C   LIG    1        6.176   2.177  -1.321  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        7.004   1.254  -0.705  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        6.558  -0.056  -0.592  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        5.309  -0.398  -1.104  0.00  0.00    +0.025 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.595  -1.267  -0.099  0.00  0.00    +0.162 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.997   0.781  -0.140  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -2.879  -0.577   0.069  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -3.483  -0.980   0.777  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -2.114   1.459  -0.666  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -4.364   1.373   0.278  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -5.261   1.393  -0.959  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -5.335   3.385   1.286  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -4.123   2.696   0.882  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -3.593   3.264   0.217  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  29
ATOM     29  C   LIG    1       -1.803  -2.634  -0.796  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -0.467  -3.291  -1.144  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -2.684  -3.629  -0.034  0.00  0.00    +0.009 C 
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 8