
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.3906    0.2696   -1.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414   -0.1392   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6049    3.1078    2.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4824    2.2461    2.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7664    2.9501    2.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9877    1.2290    1.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622    1.9372    1.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964    1.0577    1.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3782   -1.4323    0.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9017   -0.0405    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7949   -1.8885    1.7217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3496   -2.1399   -0.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7286    1.2562   -1.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7039    0.2572   -1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7520   -0.4745   -2.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8812    0.7797   -0.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7477   -0.9653   -0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8972   -0.3244    0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9889    3.9058    3.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5555    2.3703    2.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4554    3.6248    3.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7033    0.5758    0.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3407    1.8705    1.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1322   -1.2475    2.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929   -2.7635    2.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  5 21  1  0  0  0  0
  6  8  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <ID>
Z270979606

>  <Barcode>
0110705847

>  <Well>
A09

>  <Plate_ID>
816280-02

>  <MW>
163.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13NO/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
