
    alatis_output_mol

 32 32  0  0  0  0  0  0  0  0999 V2000
    1.1248    1.2154   -2.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.0587    0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0280    0.3846   -2.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518    1.8475   -2.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0078   -0.3307   -1.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1884    2.6559   -1.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5459    0.0355   -1.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6631    2.5958   -1.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0671    1.2683   -1.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616    1.3210   -1.0803 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    2.3961    1.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0852    3.7881   -0.7624 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0942    2.5318   -0.0386 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8977    2.0731   -3.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262    0.2984   -2.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2071    1.1287   -2.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2291    2.7339    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8549    1.0291    0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3339    2.1950   -0.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0089    0.3078   -2.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1282   -0.1588   -3.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0824    1.9149   -3.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6981    2.3022   -3.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2540   -0.1647   -0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1343   -1.4086   -1.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4585    3.7071   -1.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6487    2.3666   -0.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9348   -0.8269   -1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3857    0.1721   -3.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2331    2.8627   -2.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3752    3.3963   -0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3939    1.1119   -0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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 13  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <ID>
Z216450634

>  <Barcode>
9990531716

>  <Well>
C04

>  <Plate_ID>
816280-06

>  <MW>
205.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H19NO2S/c1-10(13(2,11)12)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	7
2	C	6
3	C	12
4	C	13
5	C	11
6	C	10
7	C	8
8	C	9
9	C	5
10	N	2
11	O	3
12	O	4
13	S	1
14	H	19
15	H	20
16	H	18
17	H	16
18	H	15
19	H	17
20	H	29
21	H	30
22	H	31
23	H	32
24	H	27
25	H	28
26	H	25
27	H	26
28	H	21
29	H	22
30	H	23
31	H	24
32	H	14


> <ALATIS_Mixture_Map>

$$$$
