
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
    2.5447   -8.8928   -3.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8210   -1.6542    2.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641   -8.7306   -3.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8528   -3.8339   -2.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7086   -5.2490   -0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7881   -2.6967   -1.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6458   -4.1144    0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8068   -5.1163   -2.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508   -2.8448   -0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7835   -6.3090   -2.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499   -7.4879   -2.3906 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589   -1.7141    0.4339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3664   -6.2082   -4.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4122    0.4436    1.2423 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.3283    0.4045 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7984   -0.9440    1.1050 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6524   -8.0951   -4.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5479   -9.8536   -4.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195   -8.8584   -3.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523   -1.4853    3.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0401   -2.7203    2.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6047   -1.1576    3.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3953   -8.7698   -3.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1727   -9.5405   -2.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211   -3.7180   -3.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6257   -6.2256   -0.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214   -1.7103   -2.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5346   -4.2335    1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7714   -7.4582   -1.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2194   -1.0270    0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  6  9  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  2  0  0  0  0
  7 28  1  0  0  0  0
  8  5  2  0  0  0  0
  9 12  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 11 29  1  0  0  0  0
 12 16  1  0  0  0  0
 12 30  1  0  0  0  0
 13 10  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <ID>
Z57614330

>  <Barcode>
0110770264

>  <Well>
A08

>  <Plate_ID>
816280-08

>  <MW>
242.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O3S/c1-3-11-10(13)8-4-6-9(7-5-8)12-16(2,14)15/h4-7,12H,3H2,1-2H3,(H,11,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
