
    alatis_output_mol

 32 32  0  0  0  0  0  0  0  0999 V2000
    2.1004   -2.6295   -1.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2391   -3.5160   -1.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995   -2.5038    1.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927    1.5657   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0595    0.8233   -1.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8921    2.2662   -1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373   -2.2688   -1.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    3.1435   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299    2.8716    0.0939 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656   -1.6057   -0.1583 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203    0.8446   -1.1128 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    4.1358    0.4785 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4947    0.4110    1.3843 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4824   -0.1688   -0.0179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0528   -0.0874    0.1488 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207   -1.7377   -1.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2111   -3.1995   -2.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5116   -3.2318   -0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2992   -3.2738   -1.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1108   -3.9425   -2.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198   -4.3035   -0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162   -3.2302    0.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2247   -1.9544    1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3544   -3.0276    1.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7808    0.9950    0.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8431    1.7107   -0.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4341   -0.1995   -1.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700    1.3077   -2.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7973    2.7148   -2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548    2.3045   -0.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314   -1.5745   -2.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6748    3.4483    0.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  7  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 11  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 11  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 10  1  0  0  0  0
  7 31  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
  9  8  1  0  0  0  0
  9 32  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  1  0  0  0  0
 12  8  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <ID>
Z431807512

>  <Barcode>
0110706042

>  <Well>
A06

>  <Plate_ID>
816280-03

>  <MW>
235.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H17N3O3S/c1-7(2)10(3)15(13,14)11-5-4-9-8(12)6-11/h7H,4-6H2,1-3H3,(H,9,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	15
3	C	13
4	C	12
5	C	9
6	C	4
7	C	11
8	C	5
9	N	8
10	N	3
11	N	2
12	O	10
13	O	6
14	O	7
15	S	1
16	H	28
17	H	29
18	H	27
19	H	32
20	H	31
21	H	30
22	H	26
23	H	24
24	H	25
25	H	22
26	H	23
27	H	19
28	H	20
29	H	16
30	H	17
31	H	21
32	H	18


> <ALATIS_Mixture_Map>

$$$$
