
    alatis_output_mol

 40 41  0  0  0  0  0  0  0  0999 V2000
    2.3894    9.1405   -4.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -1.2801    2.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3797    7.6622   -4.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090    4.7095   -1.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0802    3.1084   -3.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761    3.6778   -0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540    2.0755   -2.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8915    0.0135    1.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2244    1.2570    2.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076    0.1638    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4900    1.4112    0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6097    0.0060    2.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8158    4.4382   -2.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1297    2.3385   -0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1507    6.8095   -3.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1386    5.4503   -3.7101 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7721    1.3418   -0.0944 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0068    7.3243   -2.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1764    9.3545   -3.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619    9.7627   -5.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4342    9.4373   -3.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0680   -1.2953    2.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5584   -1.3911    1.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4149   -2.1569    2.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5743    7.4678   -5.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3354    7.3858   -5.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9576    5.7173   -1.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    2.8445   -4.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368    3.9556    0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9700    1.0506   -2.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    0.8588    1.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4766   -0.8950    1.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1746    1.2323    2.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209    2.1412    2.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    0.2395   -0.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007   -0.7244   -0.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548    0.6157    0.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0399    2.3438    0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971    0.0438    3.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4515    5.1490   -4.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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 12  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 15  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  2  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  6 14  2  0  0  0  0
  6 29  1  0  0  0  0
  7 14  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  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 17  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  8  1  0  0  0  0
 12  9  1  0  0  0  0
 12 39  1  0  0  0  0
 13  4  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 13  1  0  0  0  0
 16 40  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z57344995

>  <Barcode>
9990529593

>  <Well>
D10

>  <Plate_ID>
816280-04

>  <MW>
246.36

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H22N2O/c1-3-15(18)16-13-4-6-14(7-5-13)17-10-8-12(2)9-11-17/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
