
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.4496   -2.6051    0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1743   -1.6077   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    3.2050   -2.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4968    3.9404   -3.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732    3.7101   -3.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8296    2.2975   -1.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5137    5.6767   -6.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    3.0746   -2.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5579    4.5455   -4.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7884    4.4369   -4.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780    0.8859   -1.3069 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1626    0.5610    1.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3153   -0.0856    0.0135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8220    5.3058   -5.7443 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5416    5.1221   -5.2970 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8726   -0.0038    0.0451 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0502   -2.2545    1.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -3.5673    0.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5247   -2.7672    0.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6052   -1.9505   -1.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9049   -1.4694   -0.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7687    2.7428   -2.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5563    4.0388   -4.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427    3.6476   -3.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282    2.7937   -0.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9229    2.3298   -1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811    5.3312   -7.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5935    6.7700   -6.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345    0.8405   -1.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 16  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  1  0  0  0  0
  3 22  1  0  0  0  0
  4  3  2  0  0  0  0
  4 23  1  0  0  0  0
  5  8  2  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11 16  1  0  0  0  0
 11 29  1  0  0  0  0
 12 16  2  0  0  0  0
 13 16  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <ID>
Z53860899

>  <Barcode>
0110706275

>  <Well>
F12

>  <Plate_ID>
816280-07

>  <MW>
243.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13NO4S/c1-2-16(12,13)11-6-8-3-4-9-10(5-8)15-7-14-9/h3-5,11H,2,6-7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
