
    alatis_output_mol

 41 42  0  0  0  0  0  0  0  0999 V2000
   -2.8819   -2.6248    0.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6782   -3.7733   -1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5719   -5.0690    0.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    0.1591    3.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940   -0.5727    3.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    0.9371    2.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5029   -0.5375    2.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9919    0.9095    1.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1205   -3.6847   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735   -2.3993   -1.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4581   -2.3928    0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -1.0798   -1.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8363    0.1219    1.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566   -3.5969   -0.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9938    0.0464    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344   -3.7315   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4173   -1.1754   -0.1640 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8612    1.0858   -0.3994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8899   -2.7819    1.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8898   -1.6328    0.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2148   -2.6219    1.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7846   -2.8173   -1.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5060   -4.5547   -1.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6428   -3.9832   -0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8639   -5.0766    1.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3402   -5.9172   -0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5647   -5.2470    1.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634    0.1399    4.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1582   -1.1701    4.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7440    1.5560    2.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5544   -1.0424    2.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2289    1.5069    0.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586   -3.9339   -0.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0733   -4.5021    0.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1386   -2.6478   -2.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8371   -2.2690   -2.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2520   -2.2545    1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4571   -2.5048    1.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.3673   -1.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5012   -0.6329   -0.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1217   -4.4837   -1.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  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 16  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 16  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  2  0  0  0  0
  6 30  1  0  0  0  0
  7 13  2  0  0  0  0
  7 31  1  0  0  0  0
  8 13  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 17  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 17  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 14  9  1  0  0  0  0
 14 41  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z1217741507

>  <Barcode>
0110706273

>  <Well>
F10

>  <Plate_ID>
816280-07

>  <MW>
245.37

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C16H23NO/c1-16(2,3)14-9-11-17(12-10-14)15(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
