
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
   -0.8726   -1.4478    1.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6939   -1.2782   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4930   -0.0233   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1206    2.5820   -2.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971    0.0597    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988    1.2495    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485    1.3118   -1.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -1.2878    0.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2639    2.6030   -3.8829 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682    1.2337   -0.3377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850   -0.6301    2.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4058   -2.3845    2.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9221   -1.4756    2.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2521   -2.0876    0.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7242   -1.4954   -1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6669   -0.0972   -1.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4849    0.0454    0.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9484    2.6370   -2.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5996    3.4740   -2.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382    0.1840    1.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4114    0.0306   -0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2516    2.1262   -0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6406    1.3892    1.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945    0.4314   -2.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094    1.3051   -2.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2666   -2.1589   -0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001    3.4346   -4.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306    1.8058   -4.2822 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  5  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
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  3  1  0  0  0  0
  8 26  1  0  0  0  0
  9  4  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <ID>
Z1245580461

>  <Barcode>
9990531728

>  <Well>
B09

>  <Plate_ID>
816280-06

>  <MW>
142.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H18N2/c1-8-2-5-10(6-3-8)7-4-9/h8H,2-7,9H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
