REMARK  Name = BDB003802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.629  -2.384  -0.563  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.230  -2.518  -0.756  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.268  -3.713  -1.315  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.589  -4.750  -1.683  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        1.957  -4.611  -1.497  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.473  -3.438  -0.941  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -0.708  -1.459  -0.394  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1       -0.423  -0.449   0.493  0.00  0.00    -0.129 NA
ATOM      9  N   LIG    1       -1.474   0.352   0.574  0.00  0.00    -0.064 NA
ATOM     10  N   LIG    1       -2.418  -0.142  -0.248  0.00  0.00    -0.239 N 
ATOM     11  C   LIG    1       -1.989  -1.277  -0.872  0.00  0.00    +0.139 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -3.721   0.504  -0.352  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -3.566   1.783  -1.163  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -3.088   1.765  -2.300  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -3.971   2.983  -0.648  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -3.710   3.645  -1.376  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.309   3.188  -0.446  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.966   3.868  -1.229  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.896   2.636   0.829  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -5.813   1.125   0.952  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -4.375   0.627   1.028  0.00  0.00    +0.037 C 
ENDBRANCH  10  12
ENDBRANCH   2   7
BRANCH   1  23
ATOM     22  C   LIG    1        3.436  -0.841   0.261  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        2.145  -1.194  -0.001  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        1.473  -0.484   0.276  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        4.447  -1.490   0.048  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.420   0.398   0.816  0.00  0.00    -0.444 OA
BRANCH  26  28
ATOM     27  C   LIG    1        4.194   2.412   1.783  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        4.648   1.060   1.211  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1        5.555   1.321   0.003  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        5.372   0.281   2.315  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 5