REMARK  Name = BDB027578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.943   2.055   1.428  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.164   1.359   0.984  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.489   1.957   1.056  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.440   0.880   0.513  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.544   0.146  -0.489  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.192   0.127   0.209  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.881   3.200   1.869  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.827   0.250   1.204  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -4.593   1.528   0.678  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -3.323   2.108   0.753  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.272   1.407   1.346  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -2.502   0.146   1.900  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -3.774  -0.433   1.820  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.593  -1.493   1.498  0.00  0.00    +0.293 C 
ATOM     15  N   LIG    1       -6.132  -0.264   1.086  0.00  0.00    -0.275 N 
ATOM     16  H   LIG    1       -6.818   0.333   0.642  0.00  0.00    +0.156 HD
ATOM     17  O   LIG    1       -5.965  -2.391   2.038  0.00  0.00    -0.260 OA
BRANCH  14  20
ATOM     18  C   LIG    1      -10.594  -2.099   0.750  0.00  0.00    +0.106 C 
ATOM     19  C   LIG    1       -9.172  -1.875   1.011  0.00  0.00    -0.096 C 
ATOM     20  C   LIG    1       -8.003  -1.703   1.232  0.00  0.00    -0.008 C 
ENDBRANCH  14  20
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  N   LIG    1        3.613   1.468  -0.112  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        3.444   2.113  -0.876  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.583   0.583  -0.550  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1        5.261   0.970  -1.637  0.00  0.00    -0.215 NA
ATOM     25  C   LIG    1        6.221   0.158  -2.105  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1        6.522  -1.065  -1.504  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        7.535  -1.902  -2.013  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        8.256  -1.510  -3.138  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.965  -0.293  -3.746  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.754  -1.371  -0.394  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        6.956   0.525  -3.226  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1        4.786  -0.574   0.092  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5