
    alatis_output_mol

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.6424    1.9525   -0.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4826   -1.2052   -1.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8008   -1.8890   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1742    0.2317    0.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1466   -0.0937    0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523    0.7509    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0323    0.9727   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114   -0.5934    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3964   -1.4013   -0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7775    0.1955   -1.1412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4906    1.0180    0.3810 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6967   -1.0404    0.2452 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1877    2.1911   -0.2625 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2605   -2.4869   -0.7076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2171   -1.5157    0.5704 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422    1.7048   -0.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    2.4383    0.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958    2.6878   -0.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8306   -1.2324   -2.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214   -1.7082   -1.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4757   -2.8982   -0.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5055   -1.9981    0.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3629    0.8533    1.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8242    0.0212    1.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2163   -0.1094    0.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3177    0.7186   -1.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  2  0  0  0  0
  5 15  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  2  0  0  0  0
  7  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 10  7  1  0  0  0  0
 10 26  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z422344882

>  <Barcode>
0110705223

>  <Well>
H12

>  <Plate_ID>
816280-01

>  <MW>
225.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
