
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
   -1.6453    2.1872   -8.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -0.1223   -8.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010   -1.2455   -3.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335    0.9748   -3.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904   -1.3563   -2.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4372    0.8784   -2.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5670   -0.0583   -4.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2112   -0.2737   -1.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138    1.1405   -6.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711    0.8688   -0.0220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878    0.0332   -5.6541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2859    0.9994   -7.7419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5145    2.2081   -5.8249 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6079   -1.5624    0.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1062    0.1423    0.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889   -0.3220    0.0571 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3518    1.9054   -9.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1146    2.9596   -7.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7390    2.6014   -8.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1861    0.1108   -8.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897   -1.0624   -7.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4914   -0.2547   -9.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1814   -2.0892   -4.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3247    1.8926   -3.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8631   -2.2716   -2.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6081    1.7160   -1.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001    0.4492   -0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9346    1.5492    0.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944   -0.7668   -6.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  2  0  0  0  0
  6 26  1  0  0  0  0
  7  4  2  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11  7  1  0  0  0  0
 11 29  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <ID>
Z123856654

>  <Barcode>
0110705924

>  <Well>
C04

>  <Plate_ID>
816280-01

>  <MW>
243.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H13N3O3S/c1-12(2)9(13)11-7-3-5-8(6-4-7)16(10,14)15/h3-6H,1-2H3,(H,11,13)(H2,10,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	16
3	C	13
4	C	14
5	C	10
6	C	11
7	C	12
8	C	4
9	C	2
10	N	9
11	N	3
12	N	7
13	O	8
14	O	5
15	O	6
16	S	1
17	H	25
18	H	24
19	H	26
20	H	28
21	H	27
22	H	29
23	H	22
24	H	23
25	H	20
26	H	21
27	H	18
28	H	19
29	H	17


> <ALATIS_Mixture_Map>

$$$$
