
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.8844   -0.0437   -4.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5074   -2.2723   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4004   -2.9664   -1.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4969   -2.9822    0.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0509   -2.9596   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6591    1.1864   -2.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790    0.0793   -2.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4799   -3.5111   -0.0735 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5588   -0.6908   -0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0209   -1.5210    0.1117 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4363   -1.0036   -2.1106 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1170   -3.2351    1.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817    0.9149   -0.4459 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328    0.7721   -4.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589   -0.0055   -4.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3196   -0.9876   -4.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2482   -1.2170   -0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4753   -2.3256   -0.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9041   -2.3040   -1.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8065   -3.8039   -1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188   -3.9444    0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324   -2.3842    1.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5413   -3.2653   -1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4944   -3.4058    0.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467    2.1306   -2.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4197   -4.5985   -0.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816   -1.1716    0.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  2  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  8  5  1  0  0  0  0
  8 26  1  0  0  0  0
 10  9  1  0  0  0  0
 10 27  1  0  0  0  0
 11  9  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <ID>
Z48852953

>  <Barcode>
0110705972

>  <Well>
G04

>  <Plate_ID>
816280-03

>  <MW>
198.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
