
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
   -0.5394    0.8933    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5928   -2.5331   -1.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9767   -3.7164   -0.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5390   -1.5629   -2.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0561   -2.3069   -0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9868   -3.2451    0.2444 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2874   -4.4217    0.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6007   -1.1453   -1.0243 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7743   -4.8865    0.4942 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607   -4.9408    1.9316 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7546    1.1289   -0.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6380   -0.3254    1.1549 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0469    0.1813   -0.0653 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3629    1.7913    0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0445    1.1592   -0.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1289    0.1838    0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2788   -2.0009   -0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924   -2.9083   -2.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723   -4.3800   -1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7733   -4.3115   -0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0187   -0.6969   -2.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9532   -2.0409   -2.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7692   -1.9678    0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554   -2.8250   -1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5293   -2.7162    1.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7883   -4.4716    2.1557 H   0  0  0  0  0  0  0  0  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
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  2  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  5  1  0  0  0  0
  6 25  1  0  0  0  0
  7  6  1  0  0  0  0
  8 13  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <ID>
Z133632670

>  <Barcode>
9990531777

>  <Well>
A10

>  <Plate_ID>
816280-05

>  <MW>
207.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H13NO4S/c1-13(11,12)8-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
