
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.4857   -4.3081   -2.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1285   -0.4070    0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9548   -1.0342   -1.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -1.8861    0.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7568   -2.5043   -1.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1527   -4.4944   -1.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7031   -2.2627   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1567   -4.0841   -1.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286   -3.1531   -0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6749   -0.2127   -0.7969 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2471   -5.0208   -1.7677 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1222   -2.6814   -0.0288 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7270   -2.5296   -1.3515 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2300   -3.5784   -2.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -5.3058   -2.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006   -4.2391   -3.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1935    0.1575    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8270    0.0431    1.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860   -0.5720   -2.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213   -1.0156   -2.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184   -1.9306    1.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8729   -2.3697    1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7447   -2.9868   -1.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2084   -3.0480   -2.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6804   -5.1443   -0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3475   -2.2930    1.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5888   -1.2256   -0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6523   -0.5044   -0.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  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
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  2  0  0  0  0
  9  6  2  0  0  0  0
 10  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10 28  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <ID>
Z1171217421

>  <Barcode>
9990531714

>  <Well>
C06

>  <Plate_ID>
816280-06

>  <MW>
197.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H15N3S/c1-8-11-6-9(13-8)7-12-4-2-10-3-5-12/h6,10H,2-5,7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
