
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.7567   -5.2376    1.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5283   -3.7811   -3.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238   -3.1192   -1.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1355   -2.7781    0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7295   -5.7381   -0.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081   -4.8159    0.1477 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9703   -4.0532   -2.5792 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0962   -1.2842    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6939   -0.3847    0.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8563   -0.6455    1.9316 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9318   -0.6854   -0.9281 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7702    0.6283   -0.9693 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1821   -3.3618   -0.1431 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2487   -5.4190   -2.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812    1.1764    0.1149 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272   -4.5852    2.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3388   -5.2257    1.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0735   -6.2595    1.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6177   -3.8829   -3.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673   -2.7733   -4.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1344   -4.5050   -4.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113   -3.2793   -1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4813   -2.0742   -1.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4267   -2.9791    1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185   -3.1991   -0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0085   -6.7771   -0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3657   -5.6928   -0.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3906   -5.0037    0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1161   -3.9129   -2.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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  7  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 13  1  0  0  0  0
  6 28  1  0  0  0  0
  7  3  1  0  0  0  0
  7 29  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <ID>
Z354992234

>  <Barcode>
9990531700

>  <Well>
D05

>  <Plate_ID>
816280-06

>  <MW>
247.75

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H14ClN3OS/c1-6-5-14-7(2)3-13(6)4-8-9(10)15-12-11-8/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
