
    alatis_output_mol

 35 35  0  0  0  0  0  0  0  0999 V2000
    0.8637   -1.0007    3.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8845    0.7686    3.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3607   -2.3732   -3.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836    1.7855    1.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3813   -0.3869   -0.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3495    0.4014   -1.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1886   -1.9938   -1.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173   -0.1770    2.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1193   -1.3179   -2.8716 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5123    0.5795    1.6179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154   -1.1359   -0.2965 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830    0.6763   -0.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651   -1.2224    0.8188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3157   -0.5219   -2.8880 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1957   -0.2763    0.3165 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526   -0.3796    4.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317   -1.7919    2.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3381   -1.4981    4.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4968    0.1982    4.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5467    1.4410    3.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2024    1.3828    4.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862   -3.0527   -4.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2562   -2.9628   -3.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5670   -1.8935   -4.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767    1.5217    2.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5746    2.3594    1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6694    2.4753    2.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    0.2636    0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831   -1.1363   -0.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5092    1.0971   -1.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2677    0.9866   -1.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4126   -2.9040   -1.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352   -2.3267   -1.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8664   -0.8543    2.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7208   -0.6787   -3.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  5  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 11  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  9  7  1  0  0  0  0
  9 35  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  2  0  0  0  0
 14  6  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z416341642

>  <Barcode>
9990531697

>  <Well>
D02

>  <Plate_ID>
816280-06

>  <MW>
236.34

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	14
3	C	15
4	C	12
5	C	7
6	C	11
7	C	4
8	C	9
9	C	10
10	N	3
11	N	2
12	O	5
13	O	6
14	O	8
15	S	1
16	H	27
17	H	28
18	H	29
19	H	31
20	H	32
21	H	30
22	H	34
23	H	33
24	H	35
25	H	25
26	H	24
27	H	26
28	H	18
29	H	19
30	H	22
31	H	23
32	H	16
33	H	17
34	H	20
35	H	21


> <ALATIS_Mixture_Map>

$$$$
