REMARK  Name = BDB014600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.713  -1.338   2.620  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.921  -1.891   1.543  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.036  -1.853   0.491  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.196  -2.486  -0.289  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.290  -1.275   0.616  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.896  -0.996  -0.762  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.078  -2.249  -1.448  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.958  -2.561  -1.151  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.248  -0.252  -0.717  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.329  -1.123  -0.199  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.645  -0.838   1.220  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.453   0.419   1.462  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.238   0.984   0.441  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.000   2.131   0.703  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -6.000   2.702   1.975  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.238   2.134   2.993  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.214   0.398  -0.947  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.471   0.997   2.740  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.572  -0.998  -0.986  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        3.196  -2.697   1.276  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.514  -2.906  -0.093  0.00  0.00    -0.483 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.111  -1.886  -0.784  0.00  0.00    +0.123 A 
ATOM     23  C   LIG    1        4.311  -0.580  -0.324  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1        4.924   0.381  -1.149  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1        5.335   0.012  -2.439  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        5.130  -1.290  -2.897  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        4.518  -2.231  -2.073  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  N   LIG    1        5.122   1.717  -0.686  0.00  0.00    -0.306 N 
ATOM     29  C   LIG    1        4.752   2.250   0.533  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1        5.078   3.519   0.656  0.00  0.00    -0.244 NA
ATOM     31  C   LIG    1        5.685   3.843  -0.520  0.00  0.00    +0.130 A 
ATOM     32  C   LIG    1        5.725   2.758  -1.363  0.00  0.00    +0.112 A 
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9