
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -0.7155    2.4491    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9518   -5.3597   -1.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0199   -2.4552    0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7276   -1.2001    1.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0725   -3.1176   -0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4712   -0.6278    0.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8202   -2.5370   -0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2235    1.0451   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4853   -1.3023    0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1642   -0.6879    0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0263   -1.3611   -0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735   -3.2797   -1.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0348    0.6996    0.1543 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3282   -2.7111   -0.1035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7650   -2.7144   -1.9300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -4.6254   -0.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3193   -0.2478   -0.2427 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086    2.5100    0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3546    2.9811   -0.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3424    2.9668    0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2827   -5.7085   -2.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833   -6.2296   -1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7743   -4.7818   -2.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910   -2.9086    0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4741   -0.6636    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3108   -4.0840   -0.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2613    0.3571    1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283   -3.0593   -0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3148   -3.3550    0.3352 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 16  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  4  2  0  0  0  0
  3  5  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  7  2  0  0  0  0
  5 26  1  0  0  0  0
  6  9  2  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
 13  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 14 29  1  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <ID>
Z979145504

>  <Barcode>
0110706010

>  <Well>
D11

>  <Plate_ID>
816280-03

>  <MW>
248.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
