REMARK  Name = BDB004125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.203  -0.313  -1.076  0.00  0.00    -0.230 N 
ATOM      2  C   LIG    1       -4.294  -0.284  -0.047  0.00  0.00    +0.232 C 
ATOM      3  O   LIG    1       -4.539   0.161   1.068  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1       -2.973  -0.941  -0.571  0.00  0.00    +0.081 C 
ATOM      5  C   LIG    1       -1.655  -0.130  -0.442  0.00  0.00    +0.102 C 
ATOM      6  N   LIG    1       -1.399  -0.854   0.812  0.00  0.00    -0.297 NA
ATOM      7  C   LIG    1       -2.253  -1.965   0.344  0.00  0.00    +0.102 C 
ATOM      8  C   LIG    1       -3.327  -1.429  -1.968  0.00  0.00    +0.115 C 
ATOM      9  C   LIG    1       -4.758  -1.001  -2.179  0.00  0.00    +0.224 C 
ATOM     10  O   LIG    1       -5.400  -1.240  -3.191  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1      -10.094   0.976   1.073  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -9.044   0.731   0.486  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -8.513  -0.535   0.485  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -9.007  -1.222   1.039  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -7.333  -0.957  -0.086  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.954  -2.119   0.047  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -6.600   0.083  -0.940  0.00  0.00    +0.170 C 
ATOM     18  C   LIG    1       -6.816   1.486  -0.377  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -8.309   1.776  -0.323  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1       -0.022  -1.279   1.107  0.00  0.00    +0.059 C 
ATOM     21  C   LIG    1        0.971  -1.558  -0.039  0.00  0.00    +0.034 C 
ATOM     22  C   LIG    1        1.692  -0.315  -0.577  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1        2.262   0.562   0.453  0.00  0.00    -0.292 NA
ATOM     24  C   LIG    1        1.237   0.918   1.444  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        0.595  -0.293   2.115  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     26  C   LIG    1        3.476   0.007   1.089  0.00  0.00    +0.205 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.643  -0.059   0.111  0.00  0.00    +0.322 C 
ATOM     28  O   LIG    1        4.989  -1.082  -0.471  0.00  0.00    -0.249 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.221   1.166  -0.030  0.00  0.00    -0.459 OA
BRANCH  29  30
ATOM     30  C   LIG    1        6.339   1.226  -0.919  0.00  0.00    +0.267 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.616   1.095  -0.131  0.00  0.00    -0.010 A 
ATOM     32  C   LIG    1        8.134   2.192   0.571  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        9.307   2.066   1.316  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        9.969   0.840   1.373  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        9.456  -0.261   0.689  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1        8.283  -0.136  -0.057  0.00  0.00    +0.007 A 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   6  20
TORSDOF 7