@<TRIPOS>MOLECULE
BindingDB_23901
 71 74 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.4478   64.6961   29.3334  C     
2    C        16.5556   66.2146   28.2431  C     
3    C        15.7596   64.2035   29.3737  C     
4    C        16.8245   64.9589   28.8291  C     
5    S        18.4417   64.3282   28.8443  S     
6    O        19.5486   65.4695   28.7433  O     
7    O        18.6702   63.6211   30.2453  O     
8    N        18.6860   63.1648   27.6436  N     
9    C        18.5415   63.4640   26.2513  C     
10   C        17.2150   63.0328   25.7621  C     
11   O        16.9666   61.8500   25.9723  O     
12   C        19.7292   62.8981   25.4086  C     
13   C        19.6019   61.4898   24.9386  C     
14   C        19.1805   61.2173   23.6176  C     
15   C        19.0823   59.8939   23.1639  C     
16   C        19.4187   58.8302   24.0145  C     
17   C        19.8615   59.0573   25.3483  C     
18   C        19.9226   60.4037   25.7889  C     
19   C        20.2934   57.9709   26.1744  C     
20   N        20.9980   58.1444   27.3050  N     
21   N        20.0825   56.6759   25.8658  N     
22   C        14.8399   64.7264   22.6765  C     
23   C        14.6937   63.3038   23.2878  C     
24   C        14.9528   63.2583   24.8160  C     
25   C        16.4605   65.1611   24.7069  C     
26   C        16.1730   65.3663   23.1887  C     
27   C        13.5494   65.6153   22.7635  C     
28   N        16.2841   63.7824   25.1277  N     
29   C        15.2401   66.7198   28.1965  C     
30   C        14.1689   65.9522   28.7576  C     
31   C        12.8764   66.4714   28.6981  C     
32   C        12.6466   67.6748   28.1292  C     
33   C        13.6712   68.4111   27.5960  C     
34   C        14.9422   67.9581   27.6233  C     
35   C        13.1527   66.2371   24.1284  C     
36   N        11.9102   67.0231   24.0138  N     
37   H        13.6916   64.1317   29.7374  H     
38   H        17.3222   66.7560   27.8331  H     
39   H        15.9387   63.2866   29.7895  H     
40   H        18.6651   62.2365   27.9183  H     
41   H        18.6496   64.5420   26.1877  H     
42   H        19.8582   63.5586   24.5482  H     
43   H        20.6482   62.9890   25.9883  H     
44   H        18.9299   61.9770   22.9826  H     
45   H        18.7762   59.7069   22.2050  H     
46   H        19.3671   57.8842   23.6281  H     
47   H        20.2237   60.6144   26.7422  H     
48   H        21.3131   57.3659   27.7926  H     
49   H        21.2196   59.0244   27.6371  H     
50   H        20.5134   55.9809   26.3828  H     
51   H        14.9871   64.5595   21.6014  H     
52   H        13.7020   62.8988   23.0723  H     
53   H        15.4221   62.6324   22.8084  H     
54   H        14.1944   63.8546   25.3341  H     
55   H        14.7862   62.2246   25.1433  H     
56   H        17.4576   65.5714   24.8650  H     
57   H        15.7803   65.7556   25.3168  H     
58   H        17.0063   64.9086   22.6436  H     
59   H        16.1911   66.4359   22.9527  H     
60   H        13.6679   66.4477   22.0695  H     
61   H        12.7081   65.0289   22.3841  H     
62   H        12.1097   65.9607   29.0731  H     
63   H        11.7203   68.0346   28.0967  H     
64   H        13.4753   69.2992   27.1952  H     
65   H        15.6642   68.5161   27.2247  H     
66   H        12.9739   65.4660   24.8764  H     
67   H        13.9573   66.8853   24.4975  H     
68   H        12.0722   67.8364   23.3985  H     
69   H        11.6326   67.3440   24.9523  H     
70   H        11.1714   66.4232   23.6241  H     
71   H        19.5519   56.4268   25.0952  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1   30 2
     3    2    4 1
     4    2   29 2
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5    7 2
     9    5    8 1
    10    8    9 1
    11    9   10 1
    12    9   12 1
    13   10   11 2
    14   10   28 am
    15   12   13 1
    16   13   14 1
    17   13   18 2
    18   14   15 2
    19   15   16 1
    20   16   17 2
    21   17   18 1
    22   17   19 1
    23   19   20 1
    24   19   21 2
    25   22   23 1
    26   22   26 1
    27   22   27 1
    28   23   24 1
    29   24   28 1
    30   25   26 1
    31   25   28 1
    32   27   35 1
    33   29   30 1
    34   29   34 1
    35   30   31 1
    36   31   32 2
    37   32   33 1
    38   33   34 2
    39   35   36 1
    40    1   37 1
    41    2   38 1
    42    3   39 1
    43    8   40 1
    44    9   41 1
    45   12   42 1
    46   12   43 1
    47   14   44 1
    48   15   45 1
    49   16   46 1
    50   18   47 1
    51   20   48 1
    52   20   49 1
    53   21   50 1
    54   22   51 1
    55   23   52 1
    56   23   53 1
    57   24   54 1
    58   24   55 1
    59   25   56 1
    60   25   57 1
    61   26   58 1
    62   26   59 1
    63   27   60 1
    64   27   61 1
    65   31   62 1
    66   32   63 1
    67   33   64 1
    68   34   65 1
    69   35   66 1
    70   35   67 1
    71   36   68 1
    72   36   69 1
    73   36   70 1
    74   21   71 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2647
  Crash		| -2.0314
  Polar		| 5.4846
  FragIndex	| 1
  FragRMSD	| 0.793