@<TRIPOS>MOLECULE
BindingDB_29024
 32 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        37.7280   33.5121   35.6968  C     
2    C        38.0136   32.1814   36.0457  C     
3    C        38.2205   31.8110   37.3942  C     
4    C        38.1155   32.8181   38.3842  C     
5    C        37.8315   34.1515   38.0327  C     
6    C        37.6576   34.5251   36.6836  C     
7    C        38.5127   30.3872   37.7203  C     
8    F        38.7542   30.1389   39.0485  F     
9    F        37.4520   29.6033   37.3500  F     
10   F        39.6184   29.9564   37.0324  F     
11   N        37.3547   35.8375   36.4226  N     
12   C        37.5325   36.5258   35.3002  C     
13   C        37.0639   37.7981   35.1961  C     
14   O        38.1545   36.0610   34.3524  O     
15   C        37.4693   38.8091   35.9992  C     
16   C        36.2311   38.0088   34.2460  C     
17   N        35.4969   38.2176   33.3908  N     
18   C        37.0444   40.1950   35.8303  C     
19   O        38.3806   38.6004   36.9447  O     
20   C        35.6113   40.4852   36.3306  C     
21   C        36.8144   41.1378   37.0206  C     
22   H        37.5406   33.7197   34.7154  H     
23   H        38.0590   31.4763   35.3041  H     
24   H        38.2386   32.5910   39.3735  H     
25   H        37.7590   34.8546   38.7739  H     
26   H        36.9743   36.3345   37.1633  H     
27   H        37.2994   40.6919   34.8897  H     
28   H        39.2331   38.6345   36.4633  H     
29   H        35.0062   41.1574   35.7201  H     
30   H        35.1071   39.7315   36.9402  H     
31   H        37.1205   40.7329   37.9824  H     
32   H        36.9567   42.2015   36.8194  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   11 1
     9    7    8 1
    10    7    9 1
    11    7   10 1
    12   11   12 am
    13   12   13 1
    14   12   14 2
    15   13   15 2
    16   13   16 1
    17   15   18 1
    18   15   19 1
    19   16   17 3
    20   18   20 1
    21   18   21 1
    22   20   21 1
    23    1   22 1
    24    2   23 1
    25    4   24 1
    26    5   25 1
    27   11   26 1
    28   18   27 1
    29   19   28 1
    30   20   29 1
    31   20   30 1
    32   21   31 1
    33   21   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5877
  Crash		| -3.4787
  Polar		| 3.5114
  FragIndex	| 1
  FragRMSD	| 0.366