
    alatis_output_mol

 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.5774    2.1200   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1887    1.1121    2.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730   -0.9143    2.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3036    2.8671   -3.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1437    2.1902   -4.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466    2.8288   -2.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4130    1.5026   -3.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2640    0.7628   -0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0307    2.1224   -1.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277    1.4835   -1.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481   -0.2190    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    0.0387    1.4003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5509   -1.1913   -0.4320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1538    0.8093   -0.7894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3792    3.0846    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1451    1.3268    0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6608    1.9536   -0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8323    1.5965    2.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    1.8659    1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797    0.6790    2.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7992   -1.4185    2.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530   -1.6685    1.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2464   -0.3730    2.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8726    3.4047   -4.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8061    2.1886   -5.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6657    3.3507   -2.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5388    0.9617   -3.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936    1.7606   -0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5605    0.4070   -1.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 24  1  0  0  0  0
  5  7  2  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <ID>
Z19733482

>  <Barcode>
0110705994

>  <Well>
E06

>  <Plate_ID>
816280-03

>  <MW>
193.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15NO2/c1-9-6-4-5-7-10(9)14-8-11(13)12(2)3/h4-7H,8H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
