@<TRIPOS>MOLECULE
BindingDB_30199
 39 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.2015   62.1939  194.0494  C     
2    C        29.5098   61.3904  195.1715  C     
3    N        30.6702   61.6165  195.8378  N     
4    C        31.5412   62.5867  195.4899  C     
5    C        31.2794   63.4007  194.3812  C     
6    C        30.0983   63.2073  193.6264  C     
7    C        29.8637   64.0028  192.4684  C     
8    C        30.1888   65.4284  190.8057  C     
9    N        30.7512   64.8217  191.8662  N     
10   C        28.6770   64.0834  191.7264  C     
11   C        29.7854   66.8745  188.7571  C     
12   C        30.7900   66.3896  189.8638  C     
13   C        28.8786   64.9901  190.6972  C     
14   C        28.0339   65.4445  189.7076  C     
15   N        28.4598   66.3206  188.8101  N     
16   O        26.8791   65.0535  189.6440  O     
17   C        28.6640   60.3598  195.6278  C     
18   C        26.4375   59.5517  196.2667  C     
19   C        26.9667   58.2714  196.5206  C     
20   C        28.3425   58.0366  196.3355  C     
21   C        29.1900   59.0793  195.9087  C     
22   C        27.2803   60.5848  195.8148  C     
23   N        26.1659   57.2756  196.9391  N     
24   H        28.3472   62.0022  193.5295  H     
25   H        32.3826   62.7110  196.0516  H     
26   H        31.9665   64.1206  194.1226  H     
27   H        31.6711   64.9430  192.1437  H     
28   H        27.8040   63.5814  191.9057  H     
29   H        29.6873   67.9600  188.8186  H     
30   H        30.2008   66.6399  187.7746  H     
31   H        31.1489   67.2512  190.4350  H     
32   H        31.6565   65.9147  189.3925  H     
33   H        27.8298   66.6139  188.1350  H     
34   H        25.4418   59.7385  196.4083  H     
35   H        28.7366   57.1102  196.5094  H     
36   H        30.1855   58.8801  195.7801  H     
37   H        26.8732   61.5109  195.6388  H     
38   H        26.5361   56.3956  197.1070  H     
39   H        25.2200   57.4359  197.0704  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   19   23 1
    26   20   21 2
    27    1   24 1
    28    4   25 1
    29    5   26 1
    30    9   27 1
    31   10   28 1
    32   11   29 1
    33   11   30 1
    34   12   31 1
    35   12   32 1
    36   15   33 1
    37   18   34 1
    38   20   35 1
    39   21   36 1
    40   22   37 1
    41   23   38 1
    42   23   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.8580
  Crash		| -2.2634
  Polar		| 0.0001
  FragIndex	| 1
  FragRMSD	| 1.326