
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.4511   -3.8722   -0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4019   -3.0135   -0.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6600   -2.4584   -2.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7655   -3.3991    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2802   -2.2897   -1.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854   -3.2377    0.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6884   -1.5853    0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1212   -2.4992   -0.6041 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6245   -2.6793   -0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8040    0.1589    0.6359 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5530    0.8601    1.4732 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9627    0.5448   -0.9935 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1524    0.1345    0.3790 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6398   -3.7756   -0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305   -4.3448    0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7353   -4.5558   -1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4742   -3.1550   -1.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558   -2.1651   -2.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3440   -3.8386    0.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230   -1.8575   -2.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.5606    1.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4088   -1.5640    0.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381   -1.9292    1.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7436   -2.0765   -1.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2075   -0.7123    0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2821    0.4748   -0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  7 13  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  7  1  0  0  0  0
  8 24  1  0  0  0  0
  9  8  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <ID>
Z1407673036

>  <Barcode>
9990531937

>  <Well>
H02

>  <Plate_ID>
816280-05

>  <MW>
199.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H13NO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12)/t8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
