
    alatis_output_mol

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.8818    1.4006   -2.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897    3.6623   -1.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9741   -1.4290    3.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1507   -0.3926    3.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4442   -2.4627    2.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996   -0.3767    3.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936   -2.4532    1.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3951    0.0887   -0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7699   -1.1790   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6404    1.3624    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4913    0.1239    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8278   -1.3333    1.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7457    2.2559   -1.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631   -1.4004    2.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7033   -1.1772    0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803    2.3284   -1.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7523    1.2757   -0.3254 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5822    3.2840   -1.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037    1.8245   -3.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5178    0.3811   -2.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286    1.3390   -3.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3562    3.6271   -1.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1666    4.2874   -0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7671    4.1555   -2.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0298   -1.4298    3.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5624    0.4094    4.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0853   -3.2697    1.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766    0.4472    3.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981   -3.2609    1.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4433    0.0121   -1.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4323    0.1595    0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -2.0306    0.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7994   -1.3124   -1.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1511    2.2212   -0.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6367    1.5263    1.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5797    0.2507    1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5053    0.0721   -0.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3126   -0.5171    2.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3218   -2.2544    2.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3492    1.8367   -0.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848   -2.0450   -0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 13  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  2  0  0  0  0
  5 27  1  0  0  0  0
  6 14  2  0  0  0  0
  6 28  1  0  0  0  0
  7 14  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 17  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 17  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 16  1  0  0  0  0
 13 40  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 15  9  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <ID>
Z30162334

>  <Barcode>
0110706298

>  <Well>
D11

>  <Plate_ID>
816280-07

>  <MW>
245.37

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C16H23NO/c1-13(2)16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	13
3	C	18
4	C	16
5	C	17
6	C	15
7	C	14
8	C	8
9	C	9
10	C	5
11	C	4
12	C	7
13	C	6
14	C	11
15	C	10
16	C	2
17	N	1
18	O	3
19	H	31
20	H	32
21	H	33
22	H	35
23	H	36
24	H	34
25	H	41
26	H	39
27	H	40
28	H	38
29	H	37
30	H	26
31	H	27
32	H	28
33	H	29
34	H	21
35	H	22
36	H	19
37	H	20
38	H	24
39	H	25
40	H	23
41	H	30


> <ALATIS_Mixture_Map>

$$$$
