@<TRIPOS>MOLECULE
BindingDB_50184009
 54 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.5796   11.9054    3.8512  N     
2    C         0.0227   11.6192    5.0627  C     
3    C         1.7915   11.4196    3.4730  C     
4    C         2.4897   10.6022    4.3743  C     
5    C         1.9355   10.3352    5.6257  C     
6    N         2.7673    9.5215    6.3177  N     
7    C         3.8296    9.2545    5.5184  C     
8    C         3.6910    9.9199    4.3047  C     
9    N        -1.1986   12.1373    5.3243  N     
10   C        -1.9871   11.9436    6.4232  C     
11   C        -2.8750   12.9804    6.7821  C     
12   C        -3.7991   12.8198    7.8390  C     
13   C        -3.8223   11.6082    8.5641  C     
14   C        -2.9215   10.5713    8.2323  C     
15   C        -2.0335   10.7319    7.1509  C     
16   N         0.7162   10.8403    5.9423  N     
17   O        -2.9521    9.3780    8.9022  O     
18   C        -2.2835    9.4234   10.1745  C     
19   O        -4.6739   11.4617    9.6280  O     
20   C        -5.9281   10.8484    9.2831  C     
21   O        -4.6407   13.8337    8.2222  O     
22   C        -5.8070   14.0030    7.3951  C     
23   C         2.5811    9.0073    7.5757  C     
24   C         1.9567    9.7218    8.6220  C     
25   C         1.8279    9.1260    9.8885  C     
26   C         2.2914    7.8162   10.1038  C     
27   C         2.8997    7.1023    9.0429  C     
28   N         3.0183    7.7468    7.8470  N     
29   C         3.3708    5.7947    9.1478  C     
30   O         3.9197    5.2860    8.1764  O     
31   N         3.2397    5.0821   10.2612  N     
32   C         3.7195    3.7540   10.4641  C     
33   H         2.1672   11.6304    2.5487  H     
34   H         4.6266    8.6596    5.7567  H     
35   H         4.3343    9.8892    3.5127  H     
36   H        -1.5568   12.7326    4.6469  H     
37   H        -2.8546   13.8636    6.2658  H     
38   H        -1.4465    9.9414    6.8786  H     
39   H        -1.2298    9.6863   10.0605  H     
40   H        -2.3407    8.4320   10.6256  H     
41   H        -2.7655   10.1328   10.8513  H     
42   H        -6.4764   11.4553    8.5577  H     
43   H        -6.5303   10.7726   10.1889  H     
44   H        -5.7887    9.8404    8.8849  H     
45   H        -5.5332   14.3803    6.4080  H     
46   H        -6.4565   14.7380    7.8706  H     
47   H        -6.3689   13.0723    7.2813  H     
48   H         1.6244   10.6779    8.4821  H     
49   H         1.3930    9.6463   10.6550  H     
50   H         2.1834    7.4039   11.0331  H     
51   H         2.7840    5.4971   11.0089  H     
52   H         3.2329    3.0618    9.7739  H     
53   H         3.4936    3.4475   11.4860  H     
54   H         4.8007    3.7115   10.3186  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    2    9 1
     4    2   16 2
     5    3    4 1
     6    4    5 2
     7    4    8 1
     8    5    6 1
     9    5   16 1
    10    6    7 1
    11    6   23 1
    12    7    8 2
    13    9   10 1
    14   10   11 1
    15   10   15 2
    16   11   12 2
    17   12   13 1
    18   12   21 1
    19   13   14 2
    20   13   19 1
    21   14   15 1
    22   14   17 1
    23   17   18 1
    24   19   20 1
    25   21   22 1
    26   23   24 2
    27   23   28 1
    28   24   25 1
    29   25   26 2
    30   26   27 1
    31   27   28 2
    32   27   29 1
    33   29   30 2
    34   29   31 am
    35   31   32 1
    36    3   33 1
    37    7   34 1
    38    8   35 1
    39    9   36 1
    40   11   37 1
    41   15   38 1
    42   18   39 1
    43   18   40 1
    44   18   41 1
    45   20   42 1
    46   20   43 1
    47   20   44 1
    48   22   45 1
    49   22   46 1
    50   22   47 1
    51   24   48 1
    52   25   49 1
    53   26   50 1
    54   31   51 1
    55   32   52 1
    56   32   53 1
    57   32   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.1222
  Crash		| -1.1407
  Polar		| 2.0907
  FragIndex	| 1
  FragRMSD	| 0.130