
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.3908    3.6950    1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523    4.5785   -0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1344   -5.2089    0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    3.4090   -0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6868   -3.8177    0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0844   -1.4782    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1082    0.6440    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069   -2.8232    0.1398 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870   -0.5755   -0.4527 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0719    0.6713   -0.5010 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8450   -3.6822    0.8511 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2619    1.9476    0.0702 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873   -0.8404    0.8410 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246    3.8332    1.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1952    4.6099    0.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3169    2.8866    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    4.3977   -1.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8495    4.7720    0.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5778    5.4969   -0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8838   -5.2068   -0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1332   -5.7038    1.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816   -5.7593   -0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590    3.2503   -1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0867   -3.0577   -0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  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
  5  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  6  1  0  0  0  0
  8 24  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
M  END
>  <ID>
Z1134240160

>  <Barcode>
0110705842

>  <Well>
B11

>  <Plate_ID>
816280-02

>  <MW>
217.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H11N3OS2/c1-4(2)12-7-10-9-6(13-7)8-5(3)11/h4H,1-3H3,(H,8,9,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
