
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.9985    0.0474    1.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3561   -0.2039    0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9057    1.0227    1.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599    6.2202    0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9590    0.2420    0.5937 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2280    4.8912    0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2414    1.7013    0.2266 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9746    2.5558    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1601    6.9791    0.1471 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1682    3.8912    0.3428 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7186    6.2551   -0.5271 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9529    2.0592   -0.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2047    2.1743    1.1741 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2381    4.6653   -0.7109 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3942    0.4581    2.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254    0.5120    1.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8216   -1.0219    1.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3904   -1.1061    1.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9439   -0.4002    0.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9824    1.1400    1.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7176    0.9784    2.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0467    6.7046    1.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5740   -0.3158   -0.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7452    1.7249   -0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401    4.1290    0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  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  5  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3 13  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 10 25  1  0  0  0  0
 11  9  2  0  0  0  0
 11 14  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
M  END
>  <ID>
Z1827602749

>  <Barcode>
0110705763

>  <Well>
H04

>  <Plate_ID>
816280-02

>  <MW>
213.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7+/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
