
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
    0.3664    0.2781   -0.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -3.9551    2.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4660   -2.2945    4.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262   -4.8340    2.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -3.2336    3.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8679   -1.9097    1.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3782   -2.4652    3.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2473   -4.6335    3.7483 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066   -1.9603    0.6661 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -1.7609   -1.7094 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4846   -2.0570   -1.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972   -1.4821   -0.9064 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    0.4902   -0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5503    0.6968   -1.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    0.6833   -0.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4535   -4.2403    3.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7624   -4.1470    2.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155   -1.2556    4.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293   -2.5055    5.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477   -4.6459    1.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208   -5.8858    2.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2199   -2.9314    2.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3477   -3.1470    4.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1629   -0.8638    1.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7397   -2.4601    1.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5082   -1.8938    3.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8778   -4.9518    4.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7075   -2.8484    0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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  7  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  2  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  3  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  6  1  0  0  0  0
  7 26  1  0  0  0  0
  8  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <ID>
Z1741966151

>  <Barcode>
0110705804

>  <Well>
E04

>  <Plate_ID>
816280-02

>  <MW>
192.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7-2-4-8-5-3-7/h7-9H,2-6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
