
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
   -1.9711   -3.3863   -4.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1509   -4.7984   -2.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1120    3.1262   -2.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4268    2.0926   -1.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4643   -2.1533   -2.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2819   -3.4054   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0211   -0.8717   -2.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556   -2.1598   -0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535    3.1461   -1.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5850   -3.4820   -2.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2904    1.2785   -0.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0197    0.0245   -0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170   -3.3873   -2.4209 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2491   -0.9153   -0.8537 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4415   -0.2103    0.9701 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8812    1.9141   -0.8467 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -2.3945   -4.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4387   -4.1315   -4.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0462   -3.5519   -4.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6455   -5.6649   -2.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0618   -4.8592   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2199   -4.8804   -2.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6440    3.8173   -2.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6348    1.8932   -1.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5576   -2.2062   -2.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903   -2.0872   -4.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3798   -3.4674   -0.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0607   -4.3202   -0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4856   -0.0420   -2.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0983   -0.7214   -2.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483   -2.1332   -0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2502   -2.2163    0.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081    3.8263   -2.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1059   -2.6692   -2.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  2  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 14  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 14  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9  3  2  0  0  0  0
  9 16  1  0  0  0  0
  9 33  1  0  0  0  0
 10 13  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <ID>
Z2856434826

>  <Barcode>
0110770203

>  <Well>
F04

>  <Plate_ID>
816280-08

>  <MW>
238.35

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H18N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h3-4,9-10H,5-8H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
