@<TRIPOS>MOLECULE
BindingDB_18777
 51 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.3476    1.0227   15.4281  C     
2    C        29.4007    1.1444   14.0263  C     
3    C        28.5297    2.0305   13.3521  C     
4    C        27.5874    2.7712   14.1005  C     
5    C        27.5416    2.6555   15.5021  C     
6    C        28.4248    1.7859   16.1701  C     
7    C        28.6760    2.2689   11.9610  C     
8    C        27.8277    1.6563   11.0039  C     
9    C        28.9332    2.7790    9.2332  C     
10   C        29.6673    3.1602   11.4681  C     
11   N        26.8667    0.7785   11.3383  N     
12   N        29.0883    3.0339    7.9255  N     
13   N        27.9817    1.9269    9.6818  N     
14   N        29.7459    3.3792   10.1285  N     
15   Cl       28.3850    1.6756   17.8590  Cl    
16   C        30.6203    3.9165   12.3217  C     
17   C        30.1704    5.3880   12.5254  C     
18   C        30.7123    5.9718   13.8542  C     
19   C        30.4278    7.4869   14.0548  C     
20   C        29.1795    7.8163   14.9135  C     
21   C        28.8937    9.3478   14.9938  C     
22   C        27.4018    9.7066   15.2517  C     
23   C        26.7914    9.0212   16.5062  C     
24   C        26.7758    9.9146   17.7687  C     
25   H        29.9978    0.3925   15.9040  H     
26   H        30.1010    0.6094   13.5055  H     
27   H        26.9535    3.4257   13.6354  H     
28   H        26.8742    3.2207   16.0328  H     
29   H        26.3380    0.3469   10.6498  H     
30   H        26.7345    0.5265   12.2622  H     
31   H        29.7917    3.6391    7.6300  H     
32   H        28.5117    2.6047    7.2738  H     
33   H        30.7288    3.4363   13.2969  H     
34   H        31.6077    3.8962   11.8529  H     
35   H        30.5445    5.9968   11.6971  H     
36   H        29.0796    5.4428   12.5233  H     
37   H        30.3113    5.4053   14.6984  H     
38   H        31.7948    5.8245   13.8508  H     
39   H        31.2812    7.9173   14.5785  H     
40   H        30.3560    7.9853   13.0853  H     
41   H        28.3136    7.2816   14.5196  H     
42   H        29.3587    7.4475   15.9271  H     
43   H        29.5100    9.7793   15.7847  H     
44   H        29.2119    9.8269   14.0632  H     
45   H        27.3047   10.7918   15.3572  H     
46   H        26.8099    9.4229   14.3767  H     
47   H        25.7622    8.7411   16.2791  H     
48   H        27.3325    8.0994   16.7288  H     
49   H        27.7909   10.1459   18.0913  H     
50   H        26.2617    9.4017   18.5830  H     
51   H        26.2495   10.8482   17.5698  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   15 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   16 1
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   20   21 1
    23   21   22 1
    24   22   23 1
    25   23   24 1
    26    1   25 1
    27    2   26 1
    28    4   27 1
    29    5   28 1
    30   11   29 1
    31   11   30 1
    32   12   31 1
    33   12   32 1
    34   16   33 1
    35   16   34 1
    36   17   35 1
    37   17   36 1
    38   18   37 1
    39   18   38 1
    40   19   39 1
    41   19   40 1
    42   20   41 1
    43   20   42 1
    44   21   43 1
    45   21   44 1
    46   22   45 1
    47   22   46 1
    48   23   47 1
    49   23   48 1
    50   24   49 1
    51   24   50 1
    52   24   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2490
  Crash		| -1.5524
  Polar		| 2.5797
  FragIndex	| 1
  FragRMSD	| 0.750