
    alatis_output_mol

 41 42  0  0  0  0  0  0  0  0999 V2000
   -0.7700   -1.3878    1.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2170    7.1758   -4.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7356    6.0748   -5.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5330    7.0529   -3.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0906    3.4804   -2.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5580    4.8525   -4.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3558    5.8323   -2.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5404    3.4412   -2.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790    2.2172   -1.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4737    0.1133   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6409   -1.2355   -0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316    1.3441    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4508    0.0229    0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7778   -1.1944    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8600    4.7223   -3.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2385    2.3211   -1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7095    1.2277   -0.3280 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5735    3.3385   -1.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010   -0.6103    2.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3268   -2.3545    2.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7912   -1.3727    2.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3341    8.1331   -5.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4782    6.1726   -6.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8982    7.9139   -2.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428    4.3546   -1.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    3.6209   -3.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1528    4.0096   -5.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5785    5.7581   -1.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2244    3.3148   -1.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073    2.5829   -3.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716    1.3530   -2.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3305    2.0785   -0.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6587    0.0902   -1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530    0.1939    0.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1784   -2.1221    0.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5580   -1.3321   -1.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1472    2.2353   -0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206    1.4737    1.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720    0.0919    1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4099   -0.0361   -0.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3491   -2.0283   -0.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  2  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 15  2  0  0  0  0
  6 27  1  0  0  0  0
  7 15  1  0  0  0  0
  7 28  1  0  0  0  0
  8  5  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 16  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 17  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 17  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 11  1  0  0  0  0
 14 41  1  0  0  0  0
 15  8  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <ID>
Z419884046

>  <Barcode>
0110706250

>  <Well>
H11

>  <Plate_ID>
816280-07

>  <MW>
245.37

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C16H23NO/c1-14-10-12-17(13-11-14)16(18)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
