
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.2852   -3.9771   -1.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679   -3.6679    0.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2401   -5.0260   -0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9548   -4.9413   -0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862    2.1264    0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552    0.4086    1.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465    2.9666    1.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3403    1.3252    2.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692   -2.6346   -1.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9020   -3.8760   -1.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161   -3.7012   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1755    0.8213    0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0021   -2.5477   -0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9670   -0.1132   -0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7297    2.5944    2.6854 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414    0.1597   -1.7007 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4506   -1.3048   -0.0724 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7085   -2.9878   -1.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2686   -4.5405   -2.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9481   -4.4786   -1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4548   -2.6516    0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7568   -4.2091   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0756   -4.1414    1.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7263   -5.9968   -0.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4604   -5.8516    0.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7177    2.4775   -0.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7705   -0.6017    2.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758    3.9908    1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722    1.0535    3.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7916   -1.7435   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  4  3  2  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  2  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  7  5  1  0  0  0  0
  7 28  1  0  0  0  0
  8  6  2  0  0  0  0
  8 29  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  0  0  0  0
 10  9  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 15  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <ID>
Z30891796

>  <Barcode>
9990529560

>  <Well>
F01

>  <Plate_ID>
816280-04

>  <MW>
227.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H13NO2/c1-10-3-4-11(2)13(9-10)17-14(16)12-5-7-15-8-6-12/h3-9H,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
