@<TRIPOS>MOLECULE
BindingDB_15671
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        41.0633   51.7593   60.8555  C     
2    C        40.2259   51.4895   58.7629  C     
3    C        39.5673   50.4438   59.4911  C     
4    N        41.0279   52.2415   59.5046  N     
5    C        41.7697   53.3985   59.0294  C     
6    C        44.0548   54.5847   58.8909  C     
7    C        43.4064   55.8983   59.3908  C     
8    C        41.9021   55.9763   59.0200  C     
9    C        41.1270   54.7278   59.5267  C     
10   C        43.2840   53.3367   59.3974  C     
11   O        40.0211   51.6423   57.5632  O     
12   C        39.8041   50.8600   60.9621  C     
13   C        38.6535   51.5710   61.5215  C     
14   O        38.3721   52.6820   61.0770  O     
15   N        37.8676   50.9818   62.4143  N     
16   C        36.7092   51.5135   62.9175  C     
17   C        34.2653   52.5752   63.8324  C     
18   C        35.4666   53.2437   64.1079  C     
19   C        36.7035   52.7254   63.6696  C     
20   C        35.4944   50.8051   62.6802  C     
21   C        34.2791   51.3593   63.1379  C     
22   C        35.4643   49.5157   61.9357  C     
23   C        37.9585   53.4316   64.0431  C     
24   H        41.9673   51.1599   61.0021  H     
25   H        41.0531   52.5664   61.5980  H     
26   H        38.5079   50.3701   59.2336  H     
27   H        40.0510   49.4876   59.2741  H     
28   H        41.7272   53.4294   57.9341  H     
29   H        44.0727   54.5808   57.7985  H     
30   H        45.0880   54.5354   59.2434  H     
31   H        43.5115   55.9643   60.4807  H     
32   H        43.9305   56.7523   58.9576  H     
33   H        41.4668   56.8760   59.4643  H     
34   H        41.7987   56.0569   57.9354  H     
35   H        40.0932   54.7844   59.1747  H     
36   H        41.1064   54.7508   60.6197  H     
37   H        43.4026   53.2739   60.4828  H     
38   H        43.7272   52.4379   58.9596  H     
39   H        40.0311   49.9760   61.5724  H     
40   H        38.0397   50.0429   62.5952  H     
41   H        33.3784   52.9593   64.1610  H     
42   H        35.4270   54.1102   64.6467  H     
43   H        33.3875   50.8863   62.9657  H     
44   H        35.7914   49.6768   60.9067  H     
45   H        34.4660   49.0745   61.9070  H     
46   H        36.1305   48.7928   62.4111  H     
47   H        38.6268   52.7381   64.5631  H     
48   H        37.7728   54.2819   64.7034  H     
49   H        38.4592   53.8094   63.1523  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   19 2
    19   16   20 1
    20   17   18 2
    21   17   21 1
    22   18   19 1
    23   19   23 1
    24   20   21 2
    25   20   22 1
    26    1   24 1
    27    1   25 1
    28    3   26 1
    29    3   27 1
    30    5   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    8   34 1
    37    9   35 1
    38    9   36 1
    39   10   37 1
    40   10   38 1
    41   12   39 1
    42   15   40 1
    43   17   41 1
    44   18   42 1
    45   21   43 1
    46   22   44 1
    47   22   45 1
    48   22   46 1
    49   23   47 1
    50   23   48 1
    51   23   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6115
  Crash		| -1.1706
  Polar		| 1.0046
  FragIndex	| 1
  FragRMSD	| 0.352