@<TRIPOS>MOLECULE
BindingDB_50294095
 30 29 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       123.8622   57.9881   -6.8272  C     
2    C       122.5616   58.7429   -6.4230  C     
3    C       121.6940   59.2477   -7.6170  C     
4    C       122.1965   60.5809   -8.2343  C     
5    N       121.2513   61.1354   -9.1625  N     
6    C       120.9328   62.4424   -9.3377  C     
7    N       119.9742   62.6786  -10.2528  N     
8    N       121.5438   63.4582   -8.6745  N     
9    N       124.8978   58.1019   -5.7893  N     
10   C       121.2051   64.8484   -8.7633  C     
11   C       122.1664   65.5964   -8.1504  C     
12   C       123.0258   66.2380   -7.6273  C     
13   H       123.6401   56.9280   -6.9790  H     
14   H       124.2740   58.3865   -7.7550  H     
15   H       121.9558   58.0634   -5.8135  H     
16   H       122.8128   59.5929   -5.7885  H     
17   H       121.6507   58.4768   -8.3910  H     
18   H       120.6725   59.4006   -7.2487  H     
19   H       122.3971   61.2910   -7.4299  H     
20   H       123.1240   60.4005   -8.7747  H     
21   H       120.8015   60.5116   -9.7552  H     
22   H       119.6973   63.5888  -10.4656  H     
23   H       122.2814   63.2237   -8.0894  H     
24   H       125.1899   59.0745   -5.7029  H     
25   H       125.7091   57.5324   -6.0570  H     
26   H       124.5364   57.7694   -4.8932  H     
27   H       121.1371   65.1707   -9.8031  H     
28   H       120.2419   65.0270   -8.2729  H     
29   H       123.6874   66.7341   -7.2279  H     
30   H       119.5615   61.9358  -10.7197  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    9 1
     3    2    3 1
     4    3    4 1
     5    4    5 1
     6    5    6 1
     7    6    7 2
     8    6    8 1
     9    8   10 1
    10   10   11 1
    11   11   12 3
    12    1   13 1
    13    1   14 1
    14    2   15 1
    15    2   16 1
    16    3   17 1
    17    3   18 1
    18    4   19 1
    19    4   20 1
    20    5   21 1
    21    7   22 1
    22    8   23 1
    23    9   24 1
    24    9   25 1
    25    9   26 1
    26   10   27 1
    27   10   28 1
    28   12   29 1
    29    7   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0019
  Crash		| -0.5233
  Polar		| 3.2087
  FragIndex	| 1
  FragRMSD	| 0.275