REMARK  Name = BDB000650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.064   1.273   0.747  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.844   0.392   1.024  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.716   1.196   1.675  0.00  0.00    +0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -0.487   0.340   2.083  0.00  0.00    +0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -1.172  -0.439   0.955  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.730   0.457  -0.152  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -2.416  -0.322  -1.280  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -3.620  -1.176  -0.871  0.00  0.00    -0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.746  -0.370  -0.218  0.00  0.00    -0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.969  -1.251   0.053  0.00  0.00    -0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -7.085  -0.525   0.810  0.00  0.00    -0.000 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -7.670   0.707   0.111  0.00  0.00    -0.000 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -9.366  -0.542  -1.330  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -8.229   0.468  -1.294  0.00  0.00    -0.003 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        4.190   0.473   0.092  0.00  0.00    +0.019 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.409   1.353  -0.185  0.00  0.00    +0.114 C 
BRANCH  16  17
ATOM     17  N   LIG    1        6.476   0.613  -0.819  0.00  0.00    -0.264 N 
ATOM     18  C   LIG    1        7.435  -0.163  -0.145  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        8.282  -0.804  -1.049  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        9.318  -1.629  -0.657  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        9.499  -1.811   0.714  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        8.650  -1.173   1.641  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        7.845  -0.436  -2.395  0.00  0.00    +0.250 C 
ATOM     24  O   LIG    1        8.335  -0.791  -3.442  0.00  0.00    -0.282 OA
ATOM     25  C   LIG    1        7.607  -0.341   1.215  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        6.623   0.496  -2.194  0.00  0.00    +0.291 C 
ATOM     27  O   LIG    1        5.961   0.986  -3.083  0.00  0.00    -0.266 OA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 15