
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
   -3.6021   -2.2889   -1.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5485    1.3690   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4099   -1.3758    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0880    0.7265   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1014   -0.6168   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7939    1.4493   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.1061   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1562   -0.7452   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7745    0.1561    0.0016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9608   -1.3919    0.0081 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5864    1.0977   -0.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3001    0.6142   -0.0199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7886    2.6766   -0.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150   -1.4999    0.0074 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8171   -3.0504   -1.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5942   -1.7194   -2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5637   -2.8073   -1.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1892    1.3973   -0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1885    1.4014    0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9245    2.2680   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2580   -0.6815    0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4449   -1.9740    0.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9810    1.3364   -0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2784   -0.7220    0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9  7  1  0  0  0  0
  9 24  1  0  0  0  0
 10  8  2  0  0  0  0
 11 12  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <ID>
Z1896598013

>  <Barcode>
0110705828

>  <Well>
C04

>  <Plate_ID>
816280-02

>  <MW>
210.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10N4OS/c1-3-5-4-6(13)12-8(10-5)14-7(9-2)11-12/h4H,3H2,1-2H3,(H,9,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
