
    alatis_output_mol

 34 33  0  0  0  0  0  0  0  0999 V2000
   -0.5802   -2.3986   -0.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3709    1.3739    0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8128    1.2521    1.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4569   -1.1760    1.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0389    0.4544   -0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6637   -1.7574    0.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6688    1.2445   -0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1870   -0.9672   -0.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827   -0.4849   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2975   -1.3092    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3651   -0.1057    1.3646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1214   -0.0046   -0.9881 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6154   -0.8597    0.0951 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0682   -2.4684    0.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208    1.2016   -0.2627 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2258   -3.1340   -0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9174   -2.5006   -2.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4274   -2.6638   -0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6328    1.1776    1.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2425    2.4389    0.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8839    1.7465    2.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4700    1.8310    0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8001   -0.8615    2.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1041   -1.9968    2.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2565    0.9280   -0.9846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    0.3792   -1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3645   -2.0103   -0.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2462   -2.7221    0.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2664    2.1349   -0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8352   -0.3625    0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0554    0.2700    3.0858 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3212    0.2816    2.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4709   -0.5644   -3.8512 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2329   -0.1501   -2.7885 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  5  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  2  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  2  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 11  4  1  0  0  0  0
 11 30  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15  9  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <ID>
Z803153598

>  <Barcode>
0110705817

>  <Well>
D10

>  <Plate_ID>
816280-02

>  <MW>
298.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15N3OS.2ClH/c1-8-9(15-7-12-8)10(14)13-5-2-3-11-4-6-13;;/h7,11H,2-6H2,1H3;2*1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>
molecule_1
new index	atom name	original index
1	 C 	15
2	 C 	14
3	 C 	16
4	 C 	17
5	 C 	10
6	 C 	13
7	 C 	7
8	 C 	3
9	 C 	1
10	 C 	2
11	 N 	9
12	 N 	5
13	 N 	4
14	 O 	8
15	 S 	6
16	 H 	28
17	 H 	29
18	 H 	30
19	 H 	26
20	 H 	27
21	 H 	31
22	 H 	32
23	 H 	33
24	 H 	34
25	 H 	20
26	 H 	21
27	 H 	24
28	 H 	25
29	 H 	18
30	 H 	19

molecule_2
new index	atom name	original index
1	 Cl	11
2	 H 	22

molecule_3
new index	atom name	original index
1	 Cl	12
2	 H 	23


$$$$
