@<TRIPOS>MOLECULE
BindingDB_14023
 59 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.1339  133.7442   -4.7556  C     
2    C        13.3515  133.9599   -4.7969  C     
3    C        13.9818  133.1947   -3.7999  C     
4    C        15.5266  134.5477   -5.7473  C     
5    C        14.1091  134.6429   -5.7774  C     
6    C        13.3880  135.3530   -6.8668  C     
7    C        15.6668  135.7473   -8.0003  C     
8    C        14.2516  136.3108   -7.7247  C     
9    C        16.4122  135.2712   -6.7132  C     
10   C        18.3999  136.2223   -5.5790  C     
11   C        16.5602  137.5480   -5.5794  C     
12   C        17.6376  138.2735   -4.7532  C     
13   N        17.1472  136.3169   -6.0043  N     
14   O        19.1464  135.2903   -5.8485  O     
15   C        18.8580  137.3299   -4.7734  C     
16   N        19.2436  136.9795   -3.3780  N     
17   C        20.5110  136.2420   -3.1888  C     
18   C        20.9649  136.2853   -1.7759  C     
19   C        21.2113  136.0597    0.3752  C     
20   C        22.1912  136.8125   -1.3765  C     
21   N        22.3252  136.6679   -0.0546  N     
22   N        20.3687  135.8166   -0.6512  N     
23   C        19.0652  135.2224   -0.5004  C     
24   C        18.8197  133.9646   -1.2557  C     
25   C        17.2174  132.4959   -2.4078  C     
26   C        18.2873  131.7042   -2.8956  C     
27   C        19.6101  132.0097   -2.5117  C     
28   C        19.8707  133.1188   -1.6879  C     
29   C        17.4912  133.6011   -1.5762  C     
30   C        15.3828  133.0715   -3.7654  C     
31   O        15.9203  132.2520   -2.7915  O     
32   C        18.0722  130.7358   -3.7425  C     
33   N        17.8819  129.8868   -4.4948  N     
34   H        17.1502  133.6436   -4.7565  H     
35   H        12.3291  134.0119   -4.8077  H     
36   H        13.4116  132.7026   -3.1070  H     
37   H        12.9690  134.5873   -7.5238  H     
38   H        12.5611  135.9367   -6.4454  H     
39   H        15.5557  134.8968   -8.6806  H     
40   H        16.2666  136.4995   -8.5230  H     
41   H        13.7455  136.4976   -8.6761  H     
42   H        14.3248  137.2698   -7.2141  H     
43   H        17.1270  134.5294   -7.0873  H     
44   H        15.6677  137.3639   -4.9723  H     
45   H        16.2931  138.1642   -6.4410  H     
46   H        17.8876  139.2365   -5.2094  H     
47   H        17.2722  138.4570   -3.7384  H     
48   H        19.6910  137.8259   -5.2834  H     
49   H        19.3255  137.8594   -2.8597  H     
50   H        18.4870  136.4289   -2.9635  H     
51   H        20.3793  135.2018   -3.4904  H     
52   H        21.2847  136.6771   -3.8286  H     
53   H        21.0355  135.8349    1.3571  H     
54   H        22.8882  137.2436   -1.9850  H     
55   H        18.8533  135.0060    0.5495  H     
56   H        18.3399  135.9801   -0.8105  H     
57   H        20.3982  131.4448   -2.8463  H     
58   H        20.8424  133.3230   -1.4407  H     
59   H        16.7087  134.1770   -1.2528  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   30 2
     3    2    3 2
     4    2    5 1
     5    3   30 1
     6    4    5 2
     7    4    9 1
     8    5    6 1
     9    6    8 1
    10    7    8 1
    11    7    9 1
    12    9   13 1
    13   10   13 1
    14   10   14 2
    15   10   15 1
    16   11   12 1
    17   11   13 1
    18   12   15 1
    19   15   16 1
    20   16   17 1
    21   17   18 1
    22   18   20 2
    23   18   22 1
    24   19   21 2
    25   19   22 1
    26   20   21 1
    27   22   23 1
    28   23   24 1
    29   24   28 1
    30   24   29 2
    31   25   26 2
    32   25   29 1
    33   25   31 1
    34   26   27 1
    35   26   32 1
    36   27   28 2
    37   30   31 1
    38   32   33 3
    39    1   34 1
    40    2   35 1
    41    3   36 1
    42    6   37 1
    43    6   38 1
    44    7   39 1
    45    7   40 1
    46    8   41 1
    47    8   42 1
    48    9   43 1
    49   11   44 1
    50   11   45 1
    51   12   46 1
    52   12   47 1
    53   15   48 1
    54   16   49 1
    55   16   50 1
    56   17   51 1
    57   17   52 1
    58   19   53 1
    59   20   54 1
    60   23   55 1
    61   23   56 1
    62   27   57 1
    63   28   58 1
    64   29   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.4572
  Crash		| -0.4174
  Polar		| 0.0001
  FragIndex	| 1
  FragRMSD	| 1.156