
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -3.9533   -6.9401   -1.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -8.4964    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -3.4728    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269   -2.8113   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280   -4.8160    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4990   -4.1549   -0.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2442   -0.0134    0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0823   -7.0207   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7983   -2.4520    0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497   -5.1628   -0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3947   -1.0492    0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807    0.6556   -0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889    1.3269   -0.5345 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8927   -0.6525   -0.2057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7693   -6.4899   -0.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4358    1.4877    0.3032 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1172   -5.9137   -1.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4800   -7.4596   -2.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9346   -7.3908   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2110   -8.6048    0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4267   -9.0393   -0.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8405   -8.9777    0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1823   -3.2280    0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8863   -2.0546   -0.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5236   -5.5948    0.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5350   -4.3640   -0.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2770   -0.0488    0.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5659   -6.5234    0.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9498    0.7941   -0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855    2.2911   -0.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  2  0  0  0  0
  4 24  1  0  0  0  0
  5  3  2  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  6  4  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  2  0  0  0  0
  7 27  1  0  0  0  0
  8 15  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
 10  6  2  0  0  0  0
 11 14  1  0  0  0  0
 12 14  2  0  0  0  0
 13 12  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <ID>
Z969560308

>  <Barcode>
0110706020

>  <Well>
C04

>  <Plate_ID>
816280-03

>  <MW>
234.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H14N2OS/c1-8(2)15-10-5-3-9(4-6-10)11-7-16-12(13)14-11/h3-8H,1-2H3,(H2,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
