
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -1.6053    2.4033   -0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546   -2.5025    0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3650    2.9096   -2.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226   -0.0048    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4002   -0.0912   -0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7052    1.2178    0.2289 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6428   -1.2704   -0.2619 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7513    2.2872   -1.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2925    2.2791   -0.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6878    2.7853   -2.4533 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535    1.7691   -0.3434 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7023    1.2194   -0.2538 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6218    3.1918   -1.4436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6876   -1.2414    0.2697 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1426    1.9506   -1.0791 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5717    2.2994    0.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8091    2.4625   -1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1738    3.3510    0.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8256   -3.4145   -0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794   -2.4908    1.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833   -2.5589   -0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8396    3.4429   -3.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5659    0.0463    1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3932   -0.0891   -0.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4131   -0.1472    0.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4813   -0.1510   -1.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6144    1.1943    1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5781   -1.3444   -1.3557 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  8  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  7  4  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <ID>
Z768399682

>  <Barcode>
9990531723

>  <Well>
B04

>  <Plate_ID>
816280-06

>  <MW>
227.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
