
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
    0.4252   -4.0060    0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8985   -4.4517    0.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0144    1.3152   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2988    0.5171   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0153    0.3598    0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8599   -0.9426   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2195   -2.0441    0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -3.5123    0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4506   -3.6166   -1.2939 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6068   -0.9444   -0.1398 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -3.5571   -0.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -3.7874    1.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -5.0911    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7913   -5.4965    0.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122   -4.3951    2.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9608   -4.1914    0.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0839    2.2463    0.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2234    1.5676   -1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9661    0.7587   -0.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351    0.7324    0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9652    0.3757    1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0299    0.6335    0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2488   -1.4357   -1.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2721   -1.4400    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964   -1.9918    1.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3025   -1.8549    0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0020   -2.8421   -1.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4457   -3.4008   -1.3580 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  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  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  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <ID>
Z1741966630

>  <Barcode>
0110706331

>  <Well>
A05

>  <Plate_ID>
816280-07

>  <MW>
142.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

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

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
