
    alatis_output_mol

 36 36  0  0  0  0  0  0  0  0999 V2000
    3.4975    3.3967    1.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4463    0.1605    1.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840   -3.9897   -2.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979   -2.9687   -3.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1651   -3.4282   -1.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652   -1.6371   -3.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9688   -2.3805   -0.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2534   -0.6341   -2.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950   -0.0805    0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7357   -0.9276   -0.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2484    0.9759    1.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0834    2.2780    0.8229 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    0.1214   -0.0342 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8159    0.6771    2.3002 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2751    3.1066    2.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    4.1797    0.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275    3.7696    2.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811    1.0494    1.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6203    0.2385    0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5965   -0.7169    1.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -4.5390   -3.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6190   -4.7350   -2.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6128   -2.8008   -2.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -3.4149   -4.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8130   -3.0250   -1.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0485   -4.2701   -0.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567   -1.1979   -4.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -1.7767   -3.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6496   -2.4606    0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0327   -2.6415   -0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451   -0.5406   -2.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8683    0.3497   -2.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8741   -1.0542    0.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3105   -0.0143   -0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3525   -0.7803   -1.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    2.4203    0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  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  3  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  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 13  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 35  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 12 36  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <ID>
Z204776284

>  <Barcode>
9990531722

>  <Well>
B03

>  <Plate_ID>
816280-06

>  <MW>
198.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H22N2O/c1-12-11(14)9-13(2)10-7-5-3-4-6-8-10/h10H,3-9H2,1-2H3,(H,12,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
