
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.0633    4.3946   -6.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6457   -0.2343    0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689    3.9450   -5.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6032    2.1464   -1.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3539    2.8042   -2.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2638    0.0072   -2.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5544    0.7512   -1.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0182    0.6805   -3.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898    2.0835   -3.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2675   -0.0418   -4.8694 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2197    2.7014   -5.1021 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7522    0.8132    0.8731 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988   -1.4122   -0.2595 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9319   -0.0826    0.0809 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211    5.3603   -7.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0239    4.5015   -6.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3849    3.6703   -7.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608    0.7622    1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066   -0.8332    0.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4930   -0.7337    1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554    3.7993   -5.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027    4.7393   -4.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360    2.7325   -0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3666    3.8902   -2.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2336   -1.0780   -2.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1713    2.0113   -5.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 14  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  5  4  2  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <ID>
Z2142244288

>  <Barcode>
0110705841

>  <Well>
B10

>  <Plate_ID>
816280-02

>  <MW>
217.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	12
3	C	13
4	C	8
5	C	9
6	C	3
7	C	2
8	C	4
9	C	7
10	F	11
11	N	10
12	O	5
13	O	6
14	S	1
15	H	25
16	H	26
17	H	24
18	H	19
19	H	21
20	H	20
21	H	22
22	H	23
23	H	16
24	H	17
25	H	15
26	H	18


> <ALATIS_Mixture_Map>

$$$$
