
    alatis_output_mol

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.5908   -3.1899   -1.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2891   -4.7322    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9265   -4.2090   -2.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6802   -5.7378   -0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1288   -2.7424    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1226   -1.2558   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723   -0.3123    0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880   -0.4950    1.6611 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0109   -0.7126   -1.0771 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877    0.6018   -1.1771 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1938   -3.3132   -0.2397 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1832   -5.5454   -2.1549 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945    1.2184   -0.1593 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763   -3.3470   -1.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260   -2.1760   -2.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8506   -4.8848    1.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3559   -4.9615    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3445   -4.1084   -3.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554   -4.0520   -2.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9453   -6.7561   -0.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4140   -5.6734   -0.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9176   -3.2030   -0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3865   -2.9244    1.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  1  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  2  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 10 13  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
M  END
>  <ID>
Z2856434925

>  <Barcode>
0110705969

>  <Well>
G07

>  <Plate_ID>
816280-03

>  <MW>
219.69

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H10ClN3OS/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
