@<TRIPOS>MOLECULE
BindingDB_18777
 51 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.3011    1.2380   14.8806  C     
2    C        29.2537    1.4730   13.4950  C     
3    C        28.2102    2.2460   12.9337  C     
4    C        27.1684    2.7044   13.7708  C     
5    C        27.2104    2.4590   15.1561  C     
6    C        28.2898    1.7491   15.7157  C     
7    C        28.2325    2.5955   11.5583  C     
8    C        27.3048    2.0168   10.6524  C     
9    C        28.2354    3.2336    8.8504  C     
10   C        29.1777    3.5213   11.0252  C     
11   N        26.3895    1.1006   11.0184  N     
12   N        28.2498    3.5394    7.5460  N     
13   N        27.3356    2.3515    9.3376  N     
14   N        29.1299    3.7945    9.6948  N     
15   Cl       28.4007    1.5572   17.3918  Cl    
16   C        30.2431    4.2276   11.8012  C     
17   C        30.1670    5.7813   11.7787  C     
18   C        29.2582    6.4306   12.8673  C     
19   C        29.8531    6.5460   14.2964  C     
20   C        29.5834    5.3340   15.2274  C     
21   C        29.4734    5.6555   16.7472  C     
22   C        30.7870    6.0837   17.4587  C     
23   C        30.9195    7.6020   17.7505  C     
24   C        32.2751    7.9702   18.3898  C     
25   H        30.0856    0.7135   15.2772  H     
26   H        30.0077    1.1125   12.9042  H     
27   H        26.4008    3.2634   13.3869  H     
28   H        26.4740    2.8326   15.7583  H     
29   H        25.8172    0.6986   10.3492  H     
30   H        26.3207    0.8056   11.9394  H     
31   H        28.9130    4.1606    7.1981  H     
32   H        27.6061    3.1321    6.9452  H     
33   H        30.2556    3.9171   12.8422  H     
34   H        31.2079    3.9274   11.3833  H     
35   H        31.1875    6.1737   11.8725  H     
36   H        29.8000    6.0837   10.7929  H     
37   H        29.0419    7.4518   12.5437  H     
38   H        28.3019    5.9105   12.9236  H     
39   H        30.9221    6.7086   14.1946  H     
40   H        29.4289    7.4411   14.7609  H     
41   H        28.6319    4.9042   14.9145  H     
42   H        30.3522    4.5734   15.0790  H     
43   H        28.6974    6.4031   16.9206  H     
44   H        29.1388    4.7398   17.2443  H     
45   H        30.8360    5.5528   18.4140  H     
46   H        31.6412    5.7565   16.8610  H     
47   H        30.8371    8.1698   16.8246  H     
48   H        30.1149    7.9177   18.4198  H     
49   H        32.4127    7.4427   19.3351  H     
50   H        32.3132    9.0453   18.5764  H     
51   H        33.0923    7.7111   17.7159  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   18   19 1
    21   19   20 1
    22   20   21 1
    23   21   22 1
    24   22   23 1
    25   23   24 1
    26    1   25 1
    27    2   26 1
    28    4   27 1
    29    5   28 1
    30   11   29 1
    31   11   30 1
    32   12   31 1
    33   12   32 1
    34   16   33 1
    35   16   34 1
    36   17   35 1
    37   17   36 1
    38   18   37 1
    39   18   38 1
    40   19   39 1
    41   19   40 1
    42   20   41 1
    43   20   42 1
    44   21   43 1
    45   21   44 1
    46   22   45 1
    47   22   46 1
    48   23   47 1
    49   23   48 1
    50   24   49 1
    51   24   50 1
    52   24   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4071
  Crash		| -0.5692
  Polar		| 2.7228
  FragIndex	| 1
  FragRMSD	| 0.903