
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.8136    7.3853   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    1.1299   -1.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0044    0.0461   -1.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1774    3.6110    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206   -0.5294    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0604    0.7476   -0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8472    5.1137   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    1.4855    0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0683   -0.6320   -0.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442    5.9484    0.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289    2.8625    0.1376 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0363    0.8142    0.5410 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0839   -1.3281   -0.0072 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6963    5.5264   -0.1595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2436   -1.4326   -1.2830 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3084    7.7485   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    7.7991    0.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675    7.7012   -0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5910    2.1541   -1.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9447    0.0513   -2.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    3.4322    0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7387    3.3448   -0.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8707   -1.0267    0.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8733    5.5509    0.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    3.3221   -0.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  6  1  0  0  0  0
  2 19  1  0  0  0  0
  3  2  2  0  0  0  0
  3 15  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  5 23  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10 24  1  0  0  0  0
 11  8  1  0  0  0  0
 11 25  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  7  2  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z52584368

>  <Barcode>
0110705854

>  <Well>
A02

>  <Plate_ID>
816280-02

>  <MW>
222.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H10N4OS/c1-10-7(14)4-11-8-6-2-3-15-9(6)13-5-12-8/h2-3,5H,4H2,1H3,(H,10,14)(H,11,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
