
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.6700   -2.2558   -1.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4298   -0.0092   -0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7343    1.2775    0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6423   -1.2451    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731    0.0262    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484   -2.2687   -0.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    2.5343    0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7249    1.3164   -0.2364 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7390   -1.1741   -0.2782 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589   -3.2644   -1.1985 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0339    2.5453    1.4300 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2976    3.6289   -0.4218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333    1.5168   -1.6686 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6491   -2.2119   -2.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876   -1.4414   -1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1528   -3.1874   -1.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5360   -0.0045   -1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4404   -0.0492    0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2878    2.1339   -0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818    1.3504    1.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6017   -1.3149    1.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549   -2.1412   -0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    0.0558   -0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5772   -0.0502    1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7934    3.3766   -1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6157    1.2590   -1.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 12 25  1  0  0  0  0
 13  8  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
>  <ID>
Z2293643386

>  <Barcode>
0110706304

>  <Well>
C08

>  <Plate_ID>
816280-07

>  <MW>
187.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)/t8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
