
    alatis_output_mol

 33 33  0  0  0  0  0  0  0  0999 V2000
    2.5880    2.2054   -5.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4082    4.0823   -3.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391    0.0054   -0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8777   -0.9448    0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0342   -0.8490    1.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1105    1.4739    1.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5163    2.5968   -3.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1076    0.4983   -0.0621 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2446    1.5952   -1.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3693    1.7400   -2.7133 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161    0.6709   -0.9060 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    2.2196   -2.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8164    0.0928    3.2461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4614    1.2069    3.2421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6179    0.5327    2.5558 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    2.6492   -5.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651    2.5564   -4.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5572    1.1195   -5.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0511    4.3486   -2.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215    4.6842   -4.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    4.3725   -3.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4409   -1.0695   -0.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6624    0.1890    0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4527    0.3445   -0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.5780   -0.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8089   -1.4235    0.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0072   -1.7434    2.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648   -0.6175    1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840    1.9286    1.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3692    2.2640    0.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5439    2.4122   -4.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309    0.7475   -0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2033    1.2516   -2.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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 11  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 15  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 15  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 10  1  0  0  0  0
  7 31  1  0  0  0  0
  8  6  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  1  0  0  0  0
 10 33  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <ID>
Z445856640

>  <Barcode>
0110705198

>  <Well>
H12

>  <Plate_ID>
816280-03

>  <MW>
234.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	15
3	C	13
4	C	9
5	C	11
6	C	3
7	C	12
8	C	5
9	C	2
10	N	6
11	N	4
12	O	10
13	O	7
14	O	8
15	S	1
16	H	30
17	H	28
18	H	29
19	H	33
20	H	32
21	H	31
22	H	26
23	H	27
24	H	25
25	H	20
26	H	21
27	H	22
28	H	23
29	H	16
30	H	17
31	H	24
32	H	18
33	H	19


> <ALATIS_Mixture_Map>

$$$$
