
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.8410    0.2334    0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8078    0.4486    3.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1249    1.6191    3.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0941   -0.6949    2.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7295    1.6512    3.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6984   -0.6675    2.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4888    0.5439    2.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9868    0.2724    1.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9988    0.5094    2.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004    0.3936    1.3743 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5984    1.0332   -1.0628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8249   -1.3977   -0.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0876    0.0039   -0.1742 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111    0.0535   -0.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0248    1.2636    0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.4778    0.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8946    0.4286    3.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6835    2.5121    3.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6231   -1.6090    2.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2198    2.5785    3.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1626   -1.5753    2.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794   -0.1935    3.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1202    1.5212    3.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2820   -0.7337    1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4339    1.0018    0.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7935    1.3386    1.6275 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  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9  7  1  0  0  0  0
 10 13  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>
Z45617795

>  <Barcode>
0110706254

>  <Well>
G10

>  <Plate_ID>
816280-07

>  <MW>
199.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H13NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
