
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
   -3.2102   -5.1347   -0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386   -0.7192   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0368   -2.6257   -0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3774   -1.4088   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2987   -3.8059   -0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9846   -1.3741   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6961   -2.4642    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1165   -1.2765    0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8906   -3.7916   -0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491   -0.6502   -0.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2129   -2.5549   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3363   -1.2683    0.7875 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5331   -0.0880   -1.1751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1218   -5.0786   -0.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4866   -5.7146    0.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5270   -5.6843   -1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8110   -0.2745    0.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0359   -0.1587   -0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8706   -1.7598   -0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1200   -2.6581   -0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9418   -0.4802   -0.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8290   -4.7541   -0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5149   -0.3945   -0.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3224   -2.4512   -1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2884   -3.3623    0.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4502   -0.3208    0.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4366   -1.3194    1.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8298   -1.7715    1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
  5  9  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  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 12 28  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID>
Z52314092

>  <Barcode>
9990531674

>  <Well>
F03

>  <Plate_ID>
816280-06

>  <MW>
177.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15NO/c1-9-5-3-4-6-11(9)7-8-12-10(2)13/h3-6H,7-8H2,1-2H3,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
