
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
   -3.6185   -0.1236    2.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    0.7534   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025   -0.6440    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672    1.4597   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9133   -1.3831   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8562   -0.1328    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3027    0.6977   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3063   -0.6921   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3732   -0.1180   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297    1.0414   -0.0455 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908   -1.1777    0.0026 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9379    2.0734    1.4297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8555    0.4530    1.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4302    0.7046    1.4794 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410    0.0332    2.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9884    0.3137    3.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8636   -1.1858    2.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0147    1.3040    0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0564   -1.1660    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8489    2.5442   -0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9258   -2.4673    0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2747    0.3890   -0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2459   -1.1541    0.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0015    1.9841   -0.0176 H   0  0  0  0  0  0  0  0  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
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10  9  1  0  0  0  0
 10 24  1  0  0  0  0
 11  9  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  2  0  0  0  0
 14  6  1  0  0  0  0
M  END
>  <ID>
Z126932614

>  <Barcode>
0110705905

>  <Well>
D02

>  <Plate_ID>
816280-01

>  <MW>
210.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H10N2O2S/c1-14(12,13)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
