@<TRIPOS>MOLECULE
BindingDB_15268
 47 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.3880   11.0802  -19.6025  C     
2    O        -3.8421   11.8574  -20.3787  O     
3    N        -3.7333   10.0469  -19.0604  N     
4    N        -5.6419   11.4106  -19.3498  N     
5    C        -2.4579    9.5625  -19.2358  C     
6    C        -1.5243   10.0406  -20.1891  C     
7    C        -2.0565    8.4950  -18.3908  C     
8    C        -0.2544    9.4479  -20.3612  C     
9    C        -0.7826    7.8999  -18.5581  C     
10   C         0.1192    8.3356  -19.5537  C     
11   Cl        0.8068   10.2801  -21.3935  Cl    
12   N        -6.2292    9.8582  -17.6312  N     
13   N        -8.7904   10.6730  -17.7107  N     
14   C        -6.5513   10.8353  -18.5168  C     
15   C        -8.4585    9.6824  -16.8413  C     
16   C        -7.8905   11.2601  -18.5450  C     
17   C        -7.1209    9.2463  -16.8010  C     
18   O        -6.6809    8.2609  -15.9569  O     
19   O        -2.9394    8.0079  -17.4468  O     
20   C        -2.4565    7.9059  -16.0842  C     
21   C        -5.3317    6.1719  -15.7434  C     
22   C        -6.1338    7.1215  -16.6579  C     
23   C        -3.5850    8.0728  -15.0401  C     
24   C        -4.4322    6.8277  -14.6573  C     
25   C        -9.3802    9.1515  -16.1056  C     
26   N       -10.2042    8.6665  -15.4601  N     
27   N         1.2688    7.6172  -19.6779  N     
28   C         1.7196    6.9396  -20.8494  C     
29   H        -4.2526    9.5514  -18.4161  H     
30   H        -5.9796   12.1794  -19.8423  H     
31   H        -1.7580   10.8173  -20.7966  H     
32   H        -0.5296    7.0862  -17.9870  H     
33   H        -8.2017   11.9940  -19.1835  H     
34   H        -1.9611    6.9407  -15.9426  H     
35   H        -1.7210    8.6879  -15.8867  H     
36   H        -6.0403    5.5131  -15.2331  H     
37   H        -4.7055    5.5318  -16.3741  H     
38   H        -6.9616    6.5632  -17.0939  H     
39   H        -5.4669    7.4170  -17.4805  H     
40   H        -3.1132    8.3976  -14.1115  H     
41   H        -4.2437    8.8785  -15.3653  H     
42   H        -5.0846    7.1252  -13.8295  H     
43   H        -3.7559    6.0598  -14.2632  H     
44   H         1.6906    7.3300  -18.8279  H     
45   H         1.0162    6.1331  -21.0645  H     
46   H         2.7040    6.5312  -20.6462  H     
47   H         1.7926    7.5781  -21.7468  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    4 1
     4    3    5 1
     5    4   14 1
     6    5    6 1
     7    5    7 2
     8    6    8 2
     9    7    9 1
    10    7   19 1
    11    8   10 1
    12    8   11 1
    13    9   10 2
    14   10   27 1
    15   12   14 1
    16   12   17 2
    17   13   15 2
    18   13   16 1
    19   14   16 2
    20   15   17 1
    21   15   25 1
    22   17   18 1
    23   18   22 1
    24   19   20 1
    25   20   23 1
    26   21   22 1
    27   21   24 1
    28   23   24 1
    29   25   26 3
    30   27   28 1
    31    3   29 1
    32    4   30 1
    33    6   31 1
    34    9   32 1
    35   16   33 1
    36   20   34 1
    37   20   35 1
    38   21   36 1
    39   21   37 1
    40   22   38 1
    41   22   39 1
    42   23   40 1
    43   23   41 1
    44   24   42 1
    45   24   43 1
    46   27   44 1
    47   28   45 1
    48   28   46 1
    49   28   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7117
  Crash		| -2.2465
  Polar		| 2.1541
  FragIndex	| 1
  FragRMSD	| 0.868