
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.2451   -1.6550    1.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4128   -1.8123   -1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180    1.2431   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362    0.4472    0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9722   -2.0218    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1296    0.3665    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4691   -2.0478    0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7819   -1.0312    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7067   -3.0958    0.9063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6869   -0.9760   -0.0456 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865   -1.1522    2.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0007   -2.7212    1.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3322   -1.5669    1.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0837   -2.8567   -1.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1543   -1.3690   -1.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072   -1.8114   -0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0074    2.2310    0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1184    1.3786   -1.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0095    0.6386   -0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312    0.7774    1.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250   -1.0697    0.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1019   -2.1251   -0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2173    0.4740    1.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0829    0.6383   -0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3713   -2.0024    1.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -3.0171    0.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6945   -3.0240    0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6533   -2.9610    1.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  9  5  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <ID>
Z1741815708

>  <Barcode>
9990531683

>  <Well>


>  <Plate_ID>
816280-06

>  <MW>
142.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H18N2/c1-8(2)4-3-6-10(8)7-5-9/h3-7,9H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
