
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
   -5.9696   -1.8443   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934    0.4755    1.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3961   -1.0387    1.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0674    0.9208    0.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315   -1.4575    0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6217    0.0709   -1.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7692   -2.1625   -0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0156    0.1566   -1.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1673   -2.0779   -0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286   -1.1693   -0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813   -1.0884   -0.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5419   -0.1731    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7947   -0.9180   -0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0867   -0.1358   -0.0568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1438   -0.6961   -0.9954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8541   -2.5481   -0.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7822   -2.3339   -2.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0099   -1.5059   -1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    0.9457    2.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1423    0.7339    0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2891   -1.5325    0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3064   -1.3206    2.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4993    0.9553    1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0291    1.9149    0.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -2.1889   -0.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366   -1.9354    1.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309    0.9212   -1.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3015   -3.0717   -0.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4965    1.0694   -1.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7342   -2.9223   -0.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8268   -2.1652   -0.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9006   -1.0552   -1.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9686   -0.0110   -0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -0.2333    0.8729 H   0  0  0  0  0  0  0  0  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
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 11  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  2  0  0  0  0
  7 28  1  0  0  0  0
  8  6  2  0  0  0  0
  8 13  1  0  0  0  0
  8 29  1  0  0  0  0
  9  7  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 10  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 13  9  2  0  0  0  0
 14 34  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <ID>
Z2856434940

>  <Barcode>
0110770242

>  <Well>
C06

>  <Plate_ID>
816280-08

>  <MW>
205.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H19NO/c1-15-13-8-6-11(7-9-13)10-14-12-4-2-3-5-12/h6-9,12,14H,2-5,10H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	11
2	C	14
3	C	15
4	C	13
5	C	12
6	C	5
7	C	6
8	C	7
9	C	8
10	C	2
11	C	3
12	C	9
13	C	4
14	N	1
15	O	10
16	H	25
17	H	26
18	H	24
19	H	31
20	H	32
21	H	33
22	H	34
23	H	29
24	H	30
25	H	27
26	H	28
27	H	19
28	H	20
29	H	21
30	H	22
31	H	17
32	H	18
33	H	23
34	H	16


> <ALATIS_Mixture_Map>

$$$$
