
    alatis_output_mol

 36 37  0  0  0  0  0  0  0  0999 V2000
   -0.3237    2.8920    4.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2805    3.1803    1.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942    3.3623    3.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4220    1.4068    5.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8664    1.9554    0.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    3.3695    0.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435    2.3361    2.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2054    0.4112    4.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0750    0.9097    0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1284    2.3222    0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.0607   -0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5775    0.8879    2.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6889    1.0640    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0718    0.3637    0.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399    0.5758    1.6479 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1009    0.4626   -0.0409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7767   -0.4403   -0.0632 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3450    3.2963    4.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1305    3.3901    5.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8826    3.9815    1.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3081    3.9661    2.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1739    4.0774    3.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    1.2309    6.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4815    1.1528    5.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9297    1.8020    1.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4686    4.3347    1.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386    2.7006    1.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234    2.3556    2.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1254    0.0468    4.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4465   -0.4709    3.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5540   -0.0459    0.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0721    2.5144    0.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2223    0.8867   -1.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7815   -0.8143   -1.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4436    0.2723    2.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4137    0.4954    1.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  2  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 13  2  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  1  0  0  0  0
 12 35  1  0  0  0  0
 13 17  1  0  0  0  0
 15 14  1  0  0  0  0
 15 36  1  0  0  0  0
 16 14  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <ID>
Z19751622

>  <Barcode>
0110770178

>  <Well>
H03

>  <Plate_ID>
816280-08

>  <MW>
249.38

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H19NOS/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	16
3	C	14
4	C	15
5	C	12
6	C	13
7	C	11
8	C	10
9	C	9
10	C	8
11	C	5
12	C	7
13	C	6
14	C	1
15	N	2
16	O	4
17	S	3
18	H	35
19	H	36
20	H	34
21	H	30
22	H	31
23	H	32
24	H	33
25	H	28
26	H	29
27	H	26
28	H	27
29	H	24
30	H	25
31	H	23
32	H	22
33	H	19
34	H	20
35	H	21
36	H	18


> <ALATIS_Mixture_Map>

$$$$
