@<TRIPOS>MOLECULE
BindingDB_15275
 56 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.6443   13.7791    0.5339  C     
2    O         1.4634   14.4008    1.2045  O     
3    N         0.8269   13.5594   -0.7664  N     
4    N        -0.4274   13.3821    1.2193  N     
5    C         1.8157   13.9221   -1.6508  C     
6    C         2.9531   14.7155   -1.3450  C     
7    C         1.6520   13.4710   -2.9846  C     
8    C         3.9466   14.9867   -2.3198  C     
9    C         2.5686   13.8477   -3.9742  C     
10   C         3.7625   14.5229   -3.6689  C     
11   Cl        5.2296   16.0066   -1.8256  Cl    
12   N        -1.5727   11.9897   -0.3830  N     
13   N        -3.7500   11.9221    1.1999  N     
14   C        -1.5091   12.6591    0.8039  C     
15   C        -3.8061   11.2782    0.0003  C     
16   C        -2.6467   12.5869    1.6308  C     
17   C        -2.6625   11.3086   -0.8187  C     
18   O        -2.6070   10.6583   -2.0329  O     
19   O         0.6899   12.5517   -3.2994  O     
20   C         1.2420   11.2287   -3.5591  C     
21   C        -1.9743   10.9334   -4.4510  C     
22   C        -2.5559   11.5616   -3.1562  C     
23   C         0.2489   10.0841   -3.2578  C     
24   C        -0.9110    9.8281   -4.2564  C     
25   C        -4.9076   10.7002   -0.3740  C     
26   N        -5.8787   10.2078   -0.7373  N     
27   N         4.6068   14.6973   -4.7403  N     
28   C         6.0178   14.5891   -4.8015  C     
29   C         6.7583   15.7701   -5.3115  C     
30   C         8.8787   16.6694   -6.1354  C     
31   N         8.2907   17.8705   -6.3553  N     
32   C         6.9726   18.0814   -6.0779  C     
33   C         6.1663   17.0401   -5.5468  C     
34   C         8.1293   15.5996   -5.6094  C     
35   H         0.1104   13.0579   -1.1770  H     
36   H        -0.4517   13.6617    2.1473  H     
37   H         3.0775   15.0960   -0.4100  H     
38   H         2.4224   13.5380   -4.9350  H     
39   H        -2.6600   13.0469    2.5455  H     
40   H         1.5676   11.1637   -4.6011  H     
41   H         2.1157   11.0428   -2.9149  H     
42   H        -2.7971   10.5006   -5.0206  H     
43   H        -1.5505   11.7304   -5.0617  H     
44   H        -3.5836   11.8764   -3.3574  H     
45   H        -1.9601   12.4556   -2.9333  H     
46   H         0.8342    9.1606   -3.2368  H     
47   H        -0.1408   10.2307   -2.2494  H     
48   H        -1.4289    8.9258   -3.9121  H     
49   H        -0.4766    9.5880   -5.2330  H     
50   H         4.1201   14.7371   -5.5984  H     
51   H         6.4336   14.2950   -3.8262  H     
52   H         6.2200   13.7633   -5.4590  H     
53   H         9.8645   16.5497   -6.3503  H     
54   H         6.5584   19.0069   -6.2630  H     
55   H         5.1772   17.2122   -5.3534  H     
56   H         8.5890   14.6958   -5.4532  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   28   29 1
    32   29   33 1
    33   29   34 2
    34   30   31 2
    35   30   34 1
    36   31   32 1
    37   32   33 2
    38    3   35 1
    39    4   36 1
    40    6   37 1
    41    9   38 1
    42   16   39 1
    43   20   40 1
    44   20   41 1
    45   21   42 1
    46   21   43 1
    47   22   44 1
    48   22   45 1
    49   23   46 1
    50   23   47 1
    51   24   48 1
    52   24   49 1
    53   27   50 1
    54   28   51 1
    55   28   52 1
    56   30   53 1
    57   32   54 1
    58   33   55 1
    59   34   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5739
  Crash		| -2.8367
  Polar		| 4.2786
  FragIndex	| 1
  FragRMSD	| 0.735