
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.4453   -2.4748    0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4465    0.0580   -0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7402   -1.2189    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6741    1.3027    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4462    0.0445    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6546    2.0504   -1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7264   -1.2398   -0.2364 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2063    2.1913   -1.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7117    1.2228   -0.2616 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0437    3.1217   -2.4573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5301    3.1423   -1.5227 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9450   -3.3904   -0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4666   -2.4786    1.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4790   -2.5082   -0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5344    0.0427   -1.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629    0.0895    0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7892   -1.2807    1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2719   -2.0925   -0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1711    2.1978   -0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    1.3841    1.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021    0.1069    1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723    0.0388   -0.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7531    1.1216   -2.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318    2.0447   -0.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7372   -1.2875   -1.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107    3.5655   -2.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  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  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  5  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
 10  6  1  0  0  0  0
 10 26  1  0  0  0  0
 11  8  2  0  0  0  0
M  END
>  <ID>
Z228585534

>  <Barcode>
9990531682

>  <Well>
F11

>  <Plate_ID>
816280-06

>  <MW>
157.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H15NO2/c1-7-3-2-4-9(5-7)8(11)6-10/h7,10H,2-6H2,1H3/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
