
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.7244    1.7835   -2.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    2.0227   -0.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -7.6878    0.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6564   -6.8509    0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8179   -5.8647    0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7076   -5.0240    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5254    0.8626   -0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455   -3.5599    0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1264   -1.3752    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7159   -7.2147    0.1955 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677   -5.4945    0.2510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1746   -2.7510    0.1913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7770    0.7055   -0.4104 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1605   -0.6076   -0.1545 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1140   -3.1910    0.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3228   -0.5027    0.3568 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3018    2.6256   -2.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8386    1.6492   -2.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3371    0.8792   -2.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2285    2.1661   -0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7385    2.9439   -0.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3627   -8.7677    0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6570   -7.2663    0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -5.4726    0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0874   -3.1758    0.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  7  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 12 25  1  0  0  0  0
 13  7  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15  8  2  0  0  0  0
 16  9  1  0  0  0  0
M  END
>  <ID>
Z26824727

>  <Barcode>
0110705881

>  <Well>
F02

>  <Plate_ID>
816280-01

>  <MW>
235.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H9N5OS/c1-2-7-13-14-9(16-7)12-8(15)6-5-10-3-4-11-6/h3-5H,2H2,1H3,(H,12,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
