
    alatis_output_mol

 40 41  0  0  0  0  0  0  0  0999 V2000
    5.7774    1.5040   -5.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9904    2.5627   -3.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8084    0.1341   -2.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7836    2.5313   -2.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0784    0.1951   -3.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0467    2.5947   -3.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6010   -1.3486    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5544   -0.0148   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244   -0.0346    0.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7174    1.2357    0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420    1.2285   -1.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0364    1.4447   -4.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1411    1.3014   -2.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7097    1.4276   -3.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8713   -1.2937    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6744    1.1510   -0.2634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0027   -1.4198    1.8157 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7169    1.4898   -6.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    2.4094   -6.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1816    0.6429   -6.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9523    2.4568   -4.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1820    2.5265   -2.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5995    3.5554   -4.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401   -0.8373   -2.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    3.4532   -2.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5641   -0.7314   -3.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4896    3.5735   -3.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1056   -2.1644    0.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6736   -1.5709   -1.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7402   -0.0873   -1.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5302    0.0928    0.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3737   -0.1038    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3762    0.0947    1.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7061    1.4165    1.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105    2.1162   -0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2151    2.1358   -2.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2107    0.3997   -2.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5540    0.5004   -4.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892   -2.1593   -0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358   -0.6799    2.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 12  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 13  2  0  0  0  0
  3 24  1  0  0  0  0
  4 13  1  0  0  0  0
  4 25  1  0  0  0  0
  5  3  1  0  0  0  0
  5 26  1  0  0  0  0
  6  4  2  0  0  0  0
  6 14  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  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 16  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 16  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 16  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  2  0  0  0  0
 15  7  1  0  0  0  0
 15  8  1  0  0  0  0
 15 39  1  0  0  0  0
 17 15  1  0  0  0  0
 17 40  1  0  0  0  0
M  END
>  <ID>
Z2856434874

>  <Barcode>
9990529628

>  <Well>
A04

>  <Plate_ID>
816280-04

>  <MW>
233.36

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H23NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3-6,12,15,17H,7-11H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
