@<TRIPOS>MOLECULE
BindingDB_50042436
 65 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.0867   19.7544   -9.6363  C     
2    C         7.0635   17.6914   -8.2306  C     
3    C         9.9099   17.0122   -7.4012  C     
4    N         8.7917   16.7662   -6.7091  N     
5    N         5.8331   17.6267   -8.7544  N     
6    C         4.3215   20.2029   -8.5557  C     
7    C         7.4097   16.8018   -7.1201  C     
8    C         5.3176   18.3301   -9.8971  C     
9    C        11.1404   17.2593   -6.6269  C     
10   O        11.0675   18.5200   -5.8911  O     
11   O         5.4459   20.5917  -10.4599  O     
12   O         7.8514   18.5468   -8.6117  O     
13   O         9.8563   17.1785   -8.6172  O     
14   O         3.5015   21.2800   -8.7089  O     
15   C         6.8937   15.3141   -7.2489  C     
16   O         4.4565   19.5933   -7.3382  O     
17   C         9.9221   18.8566   -5.2064  C     
18   C         6.1275   18.0066  -11.1834  C     
19   C         5.8633   14.8896   -6.1729  C     
20   C        12.4526   17.3090   -7.4672  C     
21   C         3.8351   19.8827   -6.0849  C     
22   C         9.2361   20.0150   -5.6283  C     
23   C         9.4931   18.1701   -4.0440  C     
24   C         6.1788   15.4736   -4.7467  C     
25   C         4.3684   15.1610   -6.5572  C     
26   C         5.9015   16.5742  -11.7306  C     
27   C        13.6859   17.7826   -6.6487  C     
28   C         4.8741   19.7942   -4.9540  C     
29   C         8.3430   18.6083   -3.3629  C     
30   C         8.1108   20.4648   -4.9187  C     
31   C         7.6761   19.7731   -3.7795  C     
32   H         8.9185   16.5731   -5.7586  H     
33   H         5.2242   16.9770   -8.3644  H     
34   H         6.9043   17.2454   -6.2689  H     
35   H         4.3128   17.9111  -10.0780  H     
36   H        11.2333   16.4050   -5.9300  H     
37   H         6.4070   15.1607   -8.2136  H     
38   H         7.7363   14.6095   -7.2285  H     
39   H         5.8696   18.7064  -11.9865  H     
40   H         7.1928   18.1186  -10.9757  H     
41   H         5.9422   13.7936   -6.0649  H     
42   H        12.6663   16.3175   -7.8761  H     
43   H        12.3052   17.9942   -8.3102  H     
44   H         3.3593   20.8638   -6.0870  H     
45   H         3.0741   19.1268   -5.8995  H     
46   H         9.5537   20.5095   -6.4700  H     
47   H        10.0033   17.3477   -3.7198  H     
48   H         7.1957   15.1718   -4.4472  H     
49   H         5.4762   15.0880   -4.0091  H     
50   H         6.1288   16.5694   -4.7352  H     
51   H         4.1558   16.2303   -6.6004  H     
52   H         3.7187   14.7334   -5.8035  H     
53   H         4.1446   14.7228   -7.5432  H     
54   H         6.1130   15.8294  -10.9498  H     
55   H         6.5728   16.3803  -12.5625  H     
56   H         4.8705   16.4454  -12.0721  H     
57   H        13.4810   18.7426   -6.1605  H     
58   H        14.5432   17.9058   -7.3048  H     
59   H        13.9237   17.0431   -5.8832  H     
60   H         5.4229   18.8504   -5.0062  H     
61   H         4.3841   19.8604   -3.9801  H     
62   H         5.5773   20.6263   -5.0187  H     
63   H         8.0205   18.1040   -2.5447  H     
64   H         7.6557   21.3248   -5.2064  H     
65   H         6.8570   20.0932   -3.2819  H     
@<TRIPOS>BOND
     1    1    6 1
     2    1    8 1
     3    1   11 2
     4    2    5 am
     5    2    7 1
     6    2   12 2
     7    3    4 am
     8    3    9 1
     9    3   13 2
    10    4    7 1
    11    5    8 1
    12    6   14 2
    13    6   16 1
    14    7   15 1
    15    8   18 1
    16    9   10 1
    17    9   20 1
    18   10   17 1
    19   15   19 1
    20   16   21 1
    21   17   22 2
    22   17   23 1
    23   18   26 1
    24   19   24 1
    25   19   25 1
    26   20   27 1
    27   21   28 1
    28   22   30 1
    29   23   29 2
    30   29   31 1
    31   30   31 2
    32    4   32 1
    33    5   33 1
    34    7   34 1
    35    8   35 1
    36    9   36 1
    37   15   37 1
    38   15   38 1
    39   18   39 1
    40   18   40 1
    41   19   41 1
    42   20   42 1
    43   20   43 1
    44   21   44 1
    45   21   45 1
    46   22   46 1
    47   23   47 1
    48   24   48 1
    49   24   49 1
    50   24   50 1
    51   25   51 1
    52   25   52 1
    53   25   53 1
    54   26   54 1
    55   26   55 1
    56   26   56 1
    57   27   57 1
    58   27   58 1
    59   27   59 1
    60   28   60 1
    61   28   61 1
    62   28   62 1
    63   29   63 1
    64   30   64 1
    65   31   65 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.9959
  Crash		| -4.1657
  Polar		| 1.1445
  FragIndex	| 1
  FragRMSD	| 1.085