
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
    0.7115   -7.8994   -3.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8146   -4.1505    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9842   -3.2992   -1.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030   -2.8448    0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5999   -1.9888   -1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693   -5.8028   -1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1378   -7.5404   -2.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -4.3904   -0.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032   -1.7712   -0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1425    0.1788   -1.0184 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0620   -6.2715   -2.2956 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9420   -8.3295   -2.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7436   -0.1292    1.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0855    0.7882   -0.0640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0085   -0.1215    0.1841 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389   -7.0626   -4.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579   -8.7409   -3.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0584   -8.1797   -4.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3685   -4.9826    0.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8365   -3.4675   -1.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0488   -2.6747    1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.1530   -1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4633   -6.4757   -0.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7435   -5.8764   -1.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0735    0.2560   -0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8608    0.9980   -1.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8154   -5.7019   -2.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  2  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  8  3  2  0  0  0  0
  9 15  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11  6  1  0  0  0  0
 11 27  1  0  0  0  0
 12  7  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <ID>
Z30932204

>  <Barcode>
9990529457

>  <Well>
C12

>  <Plate_ID>
816280-04

>  <MW>
228.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
