
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -3.3962   -6.1768   -1.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4976   -6.6562    0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944   -5.6326   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7187   -3.5760   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5368   -4.9751    0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4946   -2.9214   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1698   -1.5250    1.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2088   -5.5953   -0.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446   -4.9379   -0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6454   -3.6049   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8918   -2.7903    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8871    0.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4829   -2.8016    0.9847 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463   -3.4672    0.3920 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3666   -3.5962    0.7890 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7952   -1.5751   -0.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4984   -1.2044    0.8266 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2961   -5.3992   -2.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6566   -6.9554   -2.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3937   -6.6178   -2.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8325   -7.5213    0.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3856   -6.2394    1.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5251   -7.0247    0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7412   -6.6986    0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804   -3.0041   -1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758   -5.5654    0.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4413   -1.8589   -0.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9014   -0.7410    1.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9695   -4.8139   -0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897   -4.4728    0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  2  0  0  0  0
  6 27  1  0  0  0  0
  7 13  2  0  0  0  0
  7 17  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9  4  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 12  1  0  0  0  0
 14 30  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <ID>
Z86416893

>  <Barcode>
9990529602

>  <Well>
C06

>  <Plate_ID>
816280-04

>  <MW>
247.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H13N3OS/c1-8(2)9-3-5-10(6-4-9)11(16)14-12-15-13-7-17-12/h3-8H,1-2H3,(H,14,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
