
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -7.5436    0.7073   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0396    0.7920   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1952   -1.9906   -0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8298    0.3935   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5734   -1.7743   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2103    0.6054   -0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -1.1286   -0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3092   -0.9058   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0878   -0.4772   -0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856   -1.8825   -1.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8047   -2.5537   -1.3365 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1731   -1.7058   -2.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4486   -0.3855   -0.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0400    1.5685    0.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9450   -0.2108    0.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7913    0.6872   -1.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6853    1.6910   -0.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8079    0.8555    1.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8237   -3.0136   -0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1688    1.2582   -0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2517   -2.6240   -0.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651    1.6291   -0.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7108   -0.1690   -0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033   -1.6856    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6339   -1.1557   -2.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 13  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
  4  8  2  0  0  0  0
  4 20  1  0  0  0  0
  5  3  2  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  4  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  2  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12 25  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <ID>
Z2856434918

>  <Barcode>
9990531977

>  <Well>
E07

>  <Plate_ID>
816280-05

>  <MW>
180.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
