REMARK  Name = BDB001812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.349  -1.014   0.983  0.00  0.00    +0.105 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.478  -1.288   1.959  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        2.691  -0.652   1.725  0.00  0.00    -0.300 N 
ATOM      4  C   LIG    1        3.797  -0.917   2.636  0.00  0.00    +0.132 C 
ATOM      5  O   LIG    1        1.312  -2.061   2.904  0.00  0.00    -0.276 OA
BRANCH   3   6
ATOM      6  C   LIG    1        2.919   0.377   0.707  0.00  0.00    +0.142 C 
BRANCH   6   7
ATOM      7  C   LIG    1        3.120   1.756   1.294  0.00  0.00    -0.028 A 
ATOM      8  C   LIG    1        4.342   2.426   1.121  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.545   3.709   1.657  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        3.512   4.327   2.371  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        2.293   3.666   2.545  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.098   2.392   2.011  0.00  0.00    +0.005 A 
BRANCH   9  13
ATOM     13  N   LIG    1        5.800   4.355   1.464  0.00  0.00    -0.240 N 
ATOM     14  N   LIG    1        6.799   3.748   0.768  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        7.806   4.621   0.786  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1        7.489   5.793   1.483  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        6.196   5.600   1.909  0.00  0.00    +0.114 A 
ENDBRANCH   9  13
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.915  -1.780   1.365  0.00  0.00    +0.107 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -3.346  -1.924  -1.197  0.00  0.00    +0.250 A 
ATOM     20  O   LIG    1       -2.372  -2.529  -0.436  0.00  0.00    -0.422 OA
ATOM     21  C   LIG    1       -1.998  -1.508   0.395  0.00  0.00    +0.218 A 
ATOM     22  N   LIG    1       -2.665  -0.396   0.179  0.00  0.00    -0.112 NA
ATOM     23  N   LIG    1       -3.536  -0.662  -0.857  0.00  0.00    -0.109 NA
BRANCH  19  24
ATOM     24  C   LIG    1       -3.993  -2.764  -2.255  0.00  0.00    +0.235 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.478  -2.482  -2.416  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -6.427  -3.339  -1.833  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -7.793  -3.085  -1.973  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -8.228  -1.973  -2.691  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.298  -1.110  -3.267  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.932  -1.360  -3.129  0.00  0.00    +0.006 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     31  C   LIG    1       -3.355  -3.604  -4.388  0.00  0.00    +0.195 C 
ATOM     32  O   LIG    1       -3.279  -2.514  -3.479  0.00  0.00    -0.366 OA
ENDBRANCH  24  32
ENDBRANCH  19  24
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 9