@<TRIPOS>MOLECULE
BindingDB_18780
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.9362    1.0479   15.4446  C     
2    C        29.0747    1.1823   14.0495  C     
3    C        28.5074    2.2877   13.3804  C     
4    C        27.7673    3.2388   14.1207  C     
5    C        27.6275    3.1004   15.5149  C     
6    C        28.2017    1.9943   16.1834  C     
7    C        28.6869    2.4616   11.9828  C     
8    C        27.9014    1.7431   11.0454  C     
9    C        28.9324    2.8705    9.2363  C     
10   C        29.6213    3.3984   11.4590  C     
11   N        27.0005    0.8073   11.3924  N     
12   N        29.0842    3.0804    7.9201  N     
13   N        28.0453    1.9718    9.7138  N     
14   N        29.6980    3.5544   10.1132  N     
15   C        30.5492    4.2435   12.2592  C     
16   C        30.2701    5.7516   12.0666  C     
17   O        28.1068    1.8409   17.5425  O     
18   C        26.7638    1.8020   18.0413  C     
19   H        29.3769    0.2596   15.9193  H     
20   H        29.6051    0.4777   13.5308  H     
21   H        27.3357    4.0395   13.6634  H     
22   H        27.0987    3.8048   16.0501  H     
23   H        26.5115    0.3244   10.7082  H     
24   H        26.8692    0.5661   12.3200  H     
25   H        29.7482    3.7188    7.6094  H     
26   H        28.5597    2.5775    7.2806  H     
27   H        30.4903    4.0190   13.3264  H     
28   H        31.5750    4.0291   11.9529  H     
29   H        30.4239    6.0410   11.0270  H     
30   H        30.9523    6.3237   12.6953  H     
31   H        29.2449    5.9896   12.3565  H     
32   H        26.2915    2.7822   17.9412  H     
33   H        26.8033    1.5436   19.1051  H     
34   H        26.1512    1.0456   17.5364  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   17 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   15 1
    18   15   16 1
    19   17   18 1
    20    1   19 1
    21    2   20 1
    22    4   21 1
    23    5   22 1
    24   11   23 1
    25   11   24 1
    26   12   25 1
    27   12   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   16   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7448
  Crash		| -0.4558
  Polar		| 2.5733
  FragIndex	| 1
  FragRMSD	| 1.095