
    alatis_output_mol

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.0225   -0.7817    5.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    2.2692   -3.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    0.5152    4.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9163   -1.8515    4.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0433    2.7563   -2.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124    0.9291   -4.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3951    0.7491    3.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5339   -1.6188    2.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4064    1.7156   -1.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0831   -0.1229   -3.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6862   -0.0727    1.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1583   -0.0873    1.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2557   -0.3173    2.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934    0.3338   -1.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1256    0.1681   -0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013    0.2199   -0.0927 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6430    0.3019   -1.4085 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4190    0.0023    0.8534 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2876   -0.9688    6.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0491    3.0136   -4.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628    2.1715   -3.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8436    1.3440    5.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1078   -2.8649    4.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256    2.9915   -2.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859    3.6877   -2.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163    0.5802   -5.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760    1.0579   -4.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1715    1.7664    3.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4265   -2.4655    2.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1062    2.0830   -0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003    1.6140   -1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1543   -0.3439   -3.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5480   -1.0555   -3.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0438   -0.8446    0.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0531    0.8810    0.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059   -1.0723    1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8019    0.6440    1.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2595   -0.3853   -0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9786   -0.0007   -0.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2630    0.7260   -2.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  2  0  0  0  0
  4 23  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 13  2  0  0  0  0
  7 28  1  0  0  0  0
  8 13  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 16  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 11  1  0  0  0  0
 14 17  1  0  0  0  0
 14 38  1  0  0  0  0
 16 15  1  0  0  0  0
 16 39  1  0  0  0  0
 17 15  1  0  0  0  0
 17 40  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z44585920

>  <Barcode>
9990529458

>  <Well>
D12

>  <Plate_ID>
816280-04

>  <MW>
246.36

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H22N2O/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H2,16,17,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
