@<TRIPOS>MOLECULE
BindingDB_18788
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        87.9715   12.4569   36.9605  C     
2    C        88.0286   12.8698   35.6148  C     
3    C        89.1939   12.6427   34.8526  C     
4    C        90.2916   11.9939   35.4510  C     
5    C        90.2306   11.5959   36.7958  C     
6    C        89.0731   11.8188   37.5531  C     
7    C        89.2434   13.0237   33.4869  C     
8    C        88.4694   12.3345   32.5177  C     
9    C        89.4444   13.5971   30.7660  C     
10   C        90.1344   14.0319   33.0167  C     
11   N        87.6270   11.3364   32.8250  N     
12   N        89.5710   13.8749   29.4573  N     
13   N        88.5938   12.6417   31.1965  N     
14   N        90.1812   14.2679   31.6743  N     
15   C        91.0609   14.8439   33.8593  C     
16   C        90.9194   16.3651   33.6246  C     
17   H        87.1192   12.6215   37.5078  H     
18   H        87.2111   13.3309   35.2004  H     
19   H        91.1371   11.8045   34.9156  H     
20   H        91.0324   11.1299   37.2216  H     
21   H        89.0292   11.5316   38.5327  H     
22   H        87.1566   10.8795   32.1226  H     
23   H        87.4994   11.0516   33.7417  H     
24   H        90.2041   14.5549   29.1523  H     
25   H        89.0365   13.3861   28.8083  H     
26   H        90.8990   14.6814   34.9277  H     
27   H        92.0820   14.5393   33.6340  H     
28   H        91.1228   16.6184   32.5839  H     
29   H        91.6239   16.9068   34.2552  H     
30   H        89.9045   16.6949   33.8713  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    7    8 1
     9    7   10 2
    10    8   11 1
    11    8   13 2
    12    9   12 1
    13    9   13 1
    14    9   14 2
    15   10   14 1
    16   10   15 1
    17   15   16 1
    18    1   17 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    6   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3707
  Crash		| -0.4085
  Polar		| 2.9086
  FragIndex	| 1
  FragRMSD	| 0.190