
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.9464   -9.5127   -0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4194   -7.6028    0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2877   -7.0953   -0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6864   -6.2370    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5545   -5.7286   -0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0828   -1.9210   -3.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937   -2.0341   -4.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0395   -3.8117    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2163   -8.0434   -0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7594   -5.2856   -0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3215   -3.3629   -0.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1607   -2.6174   -2.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3690   -2.2519   -2.4276 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1363   -3.0608   -1.9777 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3756   -3.3096   -0.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7823   -2.5361   -4.4305 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9217   -9.7028   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0766  -10.0148    0.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6317   -9.9543   -1.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1566   -8.3214    0.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3438   -7.4153   -1.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274   -5.9214    0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043   -5.0177   -1.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1152   -1.6087   -3.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -1.8475   -5.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050   -3.2126   -0.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1144   -3.5672    1.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645   -3.2733   -2.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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  4  2  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  2  0  0  0  0
  5 23  1  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  7  6  2  0  0  0  0
  7 16  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  1  0  0  0  0
 11 14  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 14 28  1  0  0  0  0
 15 11  2  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <ID>
Z90713255

>  <Barcode>
0110705933

>  <Well>
B06

>  <Plate_ID>
816280-01

>  <MW>
232.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H12N2OS/c1-9-2-4-10(5-3-9)8-11(15)14-12-13-6-7-16-12/h2-7H,8H2,1H3,(H,13,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
