
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.5730   -3.6768    0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3452    0.6913    0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7127    2.1259    2.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0020   -3.1478   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4244   -0.1025   -0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1218   -3.5493    0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1006    1.5165    0.0543 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7517   -2.5162    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4963   -1.0851   -0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8525    0.6768   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9170   -4.4711    0.0365 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7972   -0.6318    0.0520 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8703    2.5581    1.0196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5753   -4.7222    0.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6504    1.4220   -0.5076 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0729   -2.7097    0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631   -4.2286    1.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0405   -4.2246   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424    0.1401    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501   -0.0405   -0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2187    1.3437    0.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3122    2.9637    2.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0117    1.2901    2.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6808    1.8522    2.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9746   -2.7186   -0.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4899   -0.1901   -0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2819    2.0251   -0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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 13  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  8  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  2  0  0  0  0
  5 26  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 11  4  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15  5  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <ID>
Z1945710531

>  <Barcode>
9990531658

>  <Well>
H11

>  <Plate_ID>
816280-06

>  <MW>
224.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H12N2O2S/c1-6-8(4-11-14-6)9-5-15-10(12-9)7(2)13-3/h4-5,7H,1-3H3/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
