
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4718   -2.3990    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161    0.2828   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3017   -3.8493   -0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3397   -3.4501    0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0752    0.4411   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808   -1.0775    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291    0.0947   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -0.8137    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855   -1.5831    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1335    0.5668   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0617   -0.8933    0.0210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0274    1.2430   -0.1054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9935   -2.9689    0.2780 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    1.4827   -0.1208 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8160   -3.2143    0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9629   -2.6455   -0.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2446   -2.3580    0.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3314    0.8180    0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3357    0.8599   -0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5528   -0.6696   -0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3836   -3.3289   -1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -4.5978   -0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0004   -4.4103   -1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9398   -2.7308    1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501   -4.3381    1.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9051   -3.7354   -0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0492    0.9140   -0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  7  6  2  0  0  0  0
  7 14  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <ID>
Z31222641

>  <Barcode>
9990531718

>  <Well>
C02

>  <Plate_ID>
816280-06

>  <MW>
207.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13N3S/c1-6-7(2)14-10-8(6)9(13(3)4)11-5-12-10/h5H,1-4H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
