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


@<TRIPOS>ATOM
1    C        40.6373   51.4551   60.6704  C     
2    C        40.0878   51.4152   58.4680  C     
3    C        39.3913   50.2587   58.9611  C     
4    N        40.8285   52.0545   59.3742  N     
5    C        41.6178   53.2844   59.2539  C     
6    C        42.2839   53.5256   56.7432  C     
7    C        43.7819   53.3637   57.0988  C     
8    C        43.9435   52.4923   58.3693  C     
9    C        43.1488   53.0932   59.5582  C     
10   C        41.4924   54.1253   57.9382  C     
11   O        39.9563   51.7078   57.2748  O     
12   C        39.7145   50.2204   60.4753  C     
13   C        38.5480   50.1956   61.3603  C     
14   O        38.3425   49.1892   62.0317  O     
15   N        37.7493   51.2540   61.4565  N     
16   C        36.6214   51.3835   62.2210  C     
17   C        34.1868   51.9659   63.5508  C     
18   C        35.3394   52.7093   63.8396  C     
19   C        36.5684   52.4215   63.1920  C     
20   C        35.4466   50.6296   61.9303  C     
21   C        34.2421   50.9220   62.6183  C     
22   C        35.4382   49.5633   60.8985  C     
23   C        37.7885   53.1735   63.5843  C     
24   H        41.5825   51.1236   61.1124  H     
25   H        40.1916   52.1964   61.3474  H     
26   H        38.3140   50.3481   58.7712  H     
27   H        39.7581   49.3479   58.4653  H     
28   H        41.2378   53.9475   60.0444  H     
29   H        42.1742   54.1801   55.8694  H     
30   H        41.8823   52.5288   56.4962  H     
31   H        44.3075   52.8849   56.2649  H     
32   H        44.2344   54.3436   57.2714  H     
33   H        43.5920   51.4700   58.1735  H     
34   H        45.0046   52.4307   58.6375  H     
35   H        43.5802   54.0732   59.7939  H     
36   H        43.3007   52.4731   60.4379  H     
37   H        40.4430   54.2460   57.6677  H     
38   H        41.8792   55.1356   58.1290  H     
39   H        40.3095   49.3123   60.6668  H     
40   H        38.0283   52.0545   60.9820  H     
41   H        33.3114   52.1631   64.0422  H     
42   H        35.2777   53.4562   64.5364  H     
43   H        33.3869   50.3860   62.4357  H     
44   H        35.8003   49.9605   59.9466  H     
45   H        34.4396   49.1553   60.7352  H     
46   H        36.0777   48.7352   61.2094  H     
47   H        38.4672   52.5036   64.1201  H     
48   H        37.5639   54.0241   64.2338  H     
49   H        38.2983   53.5559   62.6978  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	| 6.0785
  Crash		| -1.9583
  Polar		| 0.9504
  FragIndex	| 1
  FragRMSD	| 1.197