
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
   -3.8653   -8.7277    2.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6173   -3.8123    1.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0681   -2.5911    2.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0844   -2.6187    0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6092   -1.3942    1.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9799   -5.1425    2.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890   -5.1975    2.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3557   -7.4610    2.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4845   -3.8187    1.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4526   -1.4177    0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3860    0.5443   -0.7812 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9369   -6.5079    3.1872 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3372   -7.3044    1.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9920   -0.1952   -0.9110 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1580    1.0873    1.1135 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808    0.0881    0.0851 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2693   -9.5715    2.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8043   -8.6920    4.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125   -8.8676    2.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101   -4.7452    0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8971   -2.5429    2.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262   -2.6389   -0.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0908   -0.4561    2.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7251   -5.9392    1.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323   -5.3631    3.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7691   -4.5075    3.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0438   -4.9087    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2300    0.4069   -1.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    1.4968   -0.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9211   -6.7228    4.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  2  0  0  0  0
  2  9  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
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  2  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  6  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  9  3  2  0  0  0  0
 10 16  1  0  0  0  0
 11 16  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12  7  1  0  0  0  0
 12 30  1  0  0  0  0
 13  8  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <ID>
Z30857828

>  <Barcode>
0110705825

>  <Well>
C07

>  <Plate_ID>
816280-02

>  <MW>
242.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
