@<TRIPOS>MOLECULE
BindingDB_18776
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        90.2727   11.7265   36.7138  C     
2    C        90.3038   12.1335   35.3663  C     
3    C        89.1741   12.7468   34.7757  C     
4    C        88.0141   12.9472   35.5574  C     
5    C        87.9797   12.5315   36.9042  C     
6    C        89.1062   11.9131   37.4815  C     
7    C        89.1981   13.0859   33.4010  C     
8    C        88.5048   12.2756   32.4613  C     
9    C        89.3494   13.5481   30.6539  C     
10   C        89.9196   14.1982   32.8817  C     
11   N        87.7046   11.2458   32.8125  N     
12   N        89.4881   13.7487   29.3335  N     
13   N        88.6146   12.5162   31.1295  N     
14   N        89.9496   14.3789   31.5322  N     
15   Cl       89.0611   11.3920   39.0932  Cl    
16   C        90.6303   15.2325   33.6893  C     
17   C        92.1998   15.2211   33.6451  C     
18   C        92.8338   15.6264   35.0059  C     
19   C        92.8109   13.8885   33.1242  C     
20   H        91.0985   11.2821   37.1275  H     
21   H        91.1517   11.9714   34.8204  H     
22   H        87.1859   13.3836   35.1531  H     
23   H        87.1342   12.6804   37.4561  H     
24   H        87.2397   10.7449   32.1235  H     
25   H        87.5473   11.0231   33.7452  H     
26   H        90.0508   14.4730   29.0134  H     
27   H        89.0589   13.1512   28.7023  H     
28   H        90.3170   16.2199   33.3374  H     
29   H        90.2705   15.1744   34.7205  H     
30   H        92.5179   15.9921   32.9339  H     
31   H        92.4301   16.5859   35.3410  H     
32   H        93.9168   15.7413   34.9077  H     
33   H        92.6287   14.8735   35.7708  H     
34   H        92.6063   13.0728   33.8227  H     
35   H        93.8960   13.9793   33.0019  H     
36   H        92.3915   13.6292   32.1501  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   15 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   16 1
    18   16   17 1
    19   17   18 1
    20   17   19 1
    21    1   20 1
    22    2   21 1
    23    4   22 1
    24    5   23 1
    25   11   24 1
    26   11   25 1
    27   12   26 1
    28   12   27 1
    29   16   28 1
    30   16   29 1
    31   17   30 1
    32   18   31 1
    33   18   32 1
    34   18   33 1
    35   19   34 1
    36   19   35 1
    37   19   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4612
  Crash		| -0.8342
  Polar		| 2.6522
  FragIndex	| 1
  FragRMSD	| 0.756