
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -7.6719    0.2281   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7801    1.0724    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1905   -0.8879   -0.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2556    0.5998   -2.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083   -0.0980   -1.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4105    0.7947    0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8210   -1.1665   -0.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579    0.3039   -1.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7602   -1.2327   -0.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0550   -1.6980   -0.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9207   -0.3280   -0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609   -1.9215   -0.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691   -1.0056   -1.0687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1702   -2.9507    0.0041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5600   -0.4929   -0.2494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7383    0.4381   -0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1495    1.9444    0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8863   -1.5506   -1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4303    1.6717   -2.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1201    0.1551   -3.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1573   -0.4718   -2.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9151    0.5939   -1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7217    1.4546    0.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4955   -2.0472   -1.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0243    1.0062   -0.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8936    0.3246   -2.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008   -2.2173   -1.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -1.2133    0.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5679   -2.5581   -0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2085   -1.7160   -1.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 16  1  0  0  0  0
  2  6  2  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  2  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <ID>
Z19735981

>  <Barcode>
0110770220

>  <Well>
E04

>  <Plate_ID>
816280-08

>  <MW>
205.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
