
    alatis_output_mol

 31 31  0  0  1  0  0  0  0  0999 V2000
    5.7516    0.1315   -0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0057   -0.9946    0.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0967    1.3125   -0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6109   -0.9461    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7002    1.3665   -0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7178   -1.6286   -2.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9686   -0.3087   -1.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358   -2.1292   -1.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5785   -2.5809   -2.3891 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9502    0.2324   -0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9597   -3.9896   -2.2901 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4027   -0.6756   -1.4964 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674   -0.0838    1.1232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6556    1.7140   -0.4386 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1564    0.2803   -0.1997 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8326    0.0854   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5159   -1.9129    0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6723    2.1851   -0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0426   -1.8270    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2052    2.2862   -0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5372   -1.5889   -2.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1522   -1.9298   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826    0.2109   -2.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4992    0.3499   -1.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0941   -2.4188   -0.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4503   -2.5472   -1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1761   -2.3650   -3.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621   -4.1983   -1.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1112   -4.5841   -2.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030   -2.3292    2.0284 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1289   -2.4304    2.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3 18  1  0  0  0  0
  4 10  2  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 12  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9  8  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  6  0  0  0
 10 15  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <ID>
Z2443429438

>  <Barcode>
0110705812

>  <Well>
D05

>  <Plate_ID>
816280-02

>  <MW>
262.76

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O2S.ClH/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10;/h1-5,9H,6-8,11H2;1H/t9-;/m0./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	11
2	 H 	26


$$$$
