
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
   -5.9136    1.9001   -0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7118   -1.1873    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910    0.0278    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6853   -1.1998   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7252    1.2101   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5472    1.0505   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0285    0.6656   -0.2337 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6659    1.2119    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4109   -0.0033   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3181    2.3827    0.0349 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3983   -0.0946    0.9193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7712   -0.1552   -0.1267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9702    1.6149   -0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7833    2.5172    0.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6873    2.5103   -1.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646   -2.1232    0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4755    0.0600    0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2119   -2.1515   -0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2279    2.1694   -0.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2784    1.6526   -1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3675    1.6104    0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2057    0.0307   -1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7383   -0.8097    0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  2  0  0  0  0
  2 16  1  0  0  0  0
  3  2  1  0  0  0  0
  3  8  2  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  6  1  0  0  0  0
  7 22  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 11 23  1  0  0  0  0
 12  9  1  0  0  0  0
M  END
>  <ID>
Z1250132544

>  <Barcode>
9990531678

>  <Well>
F07

>  <Plate_ID>
816280-06

>  <MW>
170.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H11FO2/c1-7(11)6-12-9-4-2-3-8(10)5-9/h2-5,7,11H,6H2,1H3/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	8
3	C	11
4	C	10
5	C	1
6	C	6
7	C	9
8	C	4
9	C	3
10	F	5
11	O	7
12	O	2
13	H	22
14	H	21
15	H	23
16	H	17
17	H	20
18	H	19
19	H	13
20	H	14
21	H	15
22	H	18
23	H	16


> <ALATIS_Mixture_Map>

$$$$
