
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.9210    0.5098   -3.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6385    0.4134   -3.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7470    1.5745   -3.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095   -0.0134    0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6800    1.2079    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8219   -1.3803   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5653    0.0046   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107    2.4471   -1.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696    1.2761   -1.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1704    1.3794   -2.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.5346   -2.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146    1.1717   -0.2978 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1261    3.5639   -2.2241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8984   -1.5766    0.4360 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -0.2417   -4.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0051   -0.4216   -3.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7447    1.6574   -3.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4366    0.0755    1.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4651    0.0077   -0.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1627    2.1209   -0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6645    1.3251    1.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8596   -1.5485   -1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4181   -2.1714    0.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7095   -0.0709   -1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    0.1388    0.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6560    3.1928   -1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2416    2.1861   -2.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445    0.4436   -2.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6621    4.1641   -1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 15  1  0  0  0  0
  2 10  2  0  0  0  0
  2 16  1  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 12  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  4  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  5  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 13 11  1  0  0  0  0
 13 29  1  0  0  0  0
 14  6  1  0  0  0  0
 14  7  1  0  0  0  0
M  END
>  <ID>
Z2856434857

>  <Barcode>
0110770243

>  <Well>
C05

>  <Plate_ID>
816280-08

>  <MW>
209.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15NOS/c13-11-3-1-2-10(8-11)9-12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
