
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
   -2.7924   -3.4799    4.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003   -3.2998    3.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7031   -1.1960   -0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4225   -0.0038   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674   -0.0108    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496    1.3434    0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870   -1.3533    1.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0809   -1.5908    2.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693   -1.1767    0.2727 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8118   -0.6952    2.7046 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    2.5842    0.3485 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7960    1.5239   -1.8416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3454   -2.9256    2.3618 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8168    1.5072   -0.3917 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3339   -2.5477    4.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9912   -4.2266    4.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5431   -3.7968    5.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8156   -4.2486    2.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2145   -2.5665    3.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994   -2.1220    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6482   -1.2610   -1.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4638   -0.0675    0.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744   -0.0625   -1.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7160    0.0464    1.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5513   -0.0698   -0.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4304    2.1595   -0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8421    1.4818    1.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0774   -2.2217    2.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2599   -0.5011    2.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 13  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 14  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11 14  2  0  0  0  0
 12 14  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <ID>
Z2856434920

>  <Barcode>
0110706007

>  <Well>
D08

>  <Plate_ID>
816280-03

>  <MW>
221.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H15NO4S/c1-2-13-8(10)7-9-3-5-14(11,12)6-4-9/h2-7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
