
    alatis_output_mol

 32 32  0  0  0  0  0  0  0  0999 V2000
    1.6086   -2.4307    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9070   -0.3355   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3503    2.5587   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8707    3.4084   -0.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134   -1.2707    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726    0.0796   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1601    4.0498    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7789   -1.1818    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4210   -0.1209   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5980    1.2535   -0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5616    2.6663    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8108    1.1507   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5719    2.3358   -0.0929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9297    1.9848    1.7749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6847    4.1798   -0.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3777   -3.0208    0.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064   -3.0314   -0.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791   -2.2023    0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3921    0.4700   -0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1213   -1.2528   -0.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3575   -0.4281    0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0011    2.5855    0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9659    2.6574   -0.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071    3.4396    0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6897    2.3523   -0.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1923    3.4939   -1.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6666    3.7858   -0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0825   -2.2539    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590    0.1607   -0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3608    4.7909    0.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9298    4.2801    1.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661    3.1248   -0.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  9  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 10  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 15  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  9  2  0  0  0  0
  5 28  1  0  0  0  0
  6 10  1  0  0  0  0
  6 29  1  0  0  0  0
  7 11  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 12  1  0  0  0  0
 13 32  1  0  0  0  0
 14 11  2  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID>
Z57260516

>  <Barcode>
0110705893

>  <Well>
E11

>  <Plate_ID>
816280-01

>  <MW>
207.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H17NO2/c1-8-5-9(2)12(10(3)6-8)13-11(14)7-15-4/h5-6H,7H2,1-4H3,(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
