
    alatis_output_mol

 40 41  0  0  0  0  0  0  0  0999 V2000
   -1.6563    3.6068   -2.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7428    2.9804   -1.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0347    1.1787   -1.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7507    2.6191   -0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    0.9542   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768   -0.3285    1.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1151   -1.2977   -0.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8359   -1.6029    2.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3889   -2.6044   -0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5369    2.5804   -2.2888 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3196    1.1740    0.2371 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5284   -0.0645    0.2225 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2931   -2.8374    1.3599 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1992    0.1542   -0.3400 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547   -3.2798    1.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5335    3.3154   -2.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9699    3.7052   -1.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3385    4.5920   -2.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6002    2.4905   -2.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9168    4.0603   -1.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0307    0.9958   -2.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3771    0.4342   -2.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452    2.8133    0.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0657    3.2973    0.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8004    1.6302    0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4236   -0.0623   -0.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826    0.5279    2.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6288   -0.4171    2.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1772   -1.3948   -0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771   -1.1507   -1.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9954   -1.7656    3.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601   -1.4556    1.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9157   -3.4423   -0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770   -2.6000   -0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2915    2.5691   -3.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2170    1.0244    1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1592    0.8011   -0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5889   -3.6549    1.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6819   -0.7193   -0.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2356   -2.6387    1.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  4  1  0  0  0  0
  2 10  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 11  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  6  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9  7  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10  3  1  0  0  0  0
 10 35  1  0  0  0  0
 11 14  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 13  8  1  0  0  0  0
 13  9  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 13  1  0  0  0  0
 15 40  1  0  0  0  0
M  END
>  <ID>
Z2241963319

>  <Barcode>
0110705966

>  <Well>
G10

>  <Plate_ID>
816280-03

>  <MW>
211.35

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H25NO/c1-10-2-4-11(5-3-10)14-12-6-8-13(15)9-7-12/h10-15H,2-9H2,1H3/t10-,11-,12-,13-

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
