@<TRIPOS>MOLECULE
BindingDB_30178
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.7106   64.8057  191.5217  C     
2    C        30.4042   64.7420  192.7552  C     
3    N        31.2360   65.7790  193.0447  N     
4    C        31.4214   66.8687  192.2598  C     
5    C        30.7234   66.9679  191.0497  C     
6    C        29.8522   65.9262  190.6615  C     
7    C        29.1311   65.9796  189.4355  C     
8    C        27.7227   65.3601  187.8508  C     
9    N        28.1903   65.0813  189.0745  N     
10   C        29.2408   66.8972  188.3844  C     
11   C        26.4823   65.2198  185.6689  C     
12   C        26.7171   64.6086  187.0874  C     
13   C        28.3716   66.4920  187.3795  C     
14   C        28.1366   66.9760  186.1148  C     
15   N        27.2612   66.3793  185.3194  N     
16   O        28.7673   67.9296  185.6756  O     
17   C        30.2685   63.6455  193.6780  C     
18   C        31.2353   62.2342  195.4613  C     
19   C        30.0726   61.4514  195.4943  C     
20   C        28.9985   61.7632  194.6456  C     
21   C        29.0935   62.8484  193.7533  C     
22   C        31.3314   63.3213  194.5689  C     
23   H        29.1290   64.0183  191.2435  H     
24   H        32.0691   67.6012  192.5459  H     
25   H        30.8632   67.7963  190.4691  H     
26   H        27.9101   64.3244  189.6089  H     
27   H        29.8700   67.6967  188.3170  H     
28   H        26.7147   64.4455  184.9341  H     
29   H        25.4275   65.4839  185.5564  H     
30   H        27.0634   63.5702  186.9926  H     
31   H        25.7816   64.6026  187.6486  H     
32   H        27.1617   66.7215  184.4173  H     
33   H        32.0070   62.0246  196.0940  H     
34   H        29.9946   60.6689  196.1500  H     
35   H        28.1452   61.2035  194.6740  H     
36   H        28.2821   63.0500  193.1574  H     
37   H        32.1995   63.8620  194.5601  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26    1   23 1
    27    4   24 1
    28    5   25 1
    29    9   26 1
    30   10   27 1
    31   11   28 1
    32   11   29 1
    33   12   30 1
    34   12   31 1
    35   15   32 1
    36   18   33 1
    37   19   34 1
    38   20   35 1
    39   21   36 1
    40   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9142
  Crash		| -1.8051
  Polar		| 2.0261
  FragIndex	| 1
  FragRMSD	| 0.510