
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.7927   -3.3940   -2.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9736   -0.3329    0.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604   -0.9992   -1.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7578   -1.8105    0.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689   -2.4336   -1.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9822   -0.1145   -1.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280   -2.0900   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2768   -4.4197   -0.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3907   -3.5437   -1.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4491   -0.0685   -0.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4227   -3.0528   -0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6224    0.9531   -0.2459 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467   -2.5623   -1.1642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9380   -2.5392   -0.0668 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497   -5.0931   -1.6268 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8536   -3.5228   -3.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787   -2.3995   -1.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4501   -4.1308   -1.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0307    0.2044    0.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6771    0.0886    1.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3230   -1.0183   -2.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812   -0.5755   -2.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111   -1.8998    1.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7326   -2.3127    0.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5477   -2.9316   -1.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0009   -3.0006   -2.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2558    0.0181   -2.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3802   -1.0805   -0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929   -2.0257    1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4007   -1.0905   -0.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5623   -5.0346   -0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1455    0.9555   -1.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6249    0.9537   -0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2778    1.8578   -0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 11  2  0  0  0  0
  8 31  1  0  0  0  0
  9 13  2  0  0  0  0
 10  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 12  6  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z1259335913

>  <Barcode>
9990531704

>  <Well>
D09

>  <Plate_ID>
816280-06

>  <MW>
225.36

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H19N3S/c1-9-13-11(8-15-9)7-14-4-2-10(6-12)3-5-14/h8,10H,2-7,12H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	11
3	C	12
4	C	9
5	C	8
6	C	15
7	C	7
8	C	5
9	C	3
10	C	13
11	C	2
12	N	10
13	N	1
14	N	6
15	S	4
16	H	31
17	H	30
18	H	32
19	H	25
20	H	26
21	H	27
22	H	28
23	H	21
24	H	22
25	H	19
26	H	20
27	H	33
28	H	34
29	H	17
30	H	18
31	H	16
32	H	29
33	H	23
34	H	24


> <ALATIS_Mixture_Map>

$$$$
